DBoRL ID,Compound name,IUPAC Name,SMILES,InChI,InChI Key,Formula,CAS ID,Mol Weight,LogP,H bond donors,H bond acceptors,Rotatable bonds,Ring count,Reported Target/Targets,Mode of Action (MoA),PubMed ID 1,PubMed ID 2,PubMed ID 3,PubMed ID 4,PubMed ID 5,PubMed ID 6,Reference 1,Reference 2,Reference 3,Reference 4,Reference 5,Reference 6,Link 1 to Pubmed,Link 2 to Pubmed,Link 3 to Pubmed,Link 4 to Pubmed,Link 5 to Pubmed,Link 6 to Pubmed,PubChem ID,Found in Drugbank,Approved drug (DrugBank),Other status,Drugbank link,Link,Note
DBoRL1,Neomycin,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2",PGBHMTALBVVCIT-UHFFFAOYNA-N,C23H46N6O13,Not Found,614.65,-8.415177746,13,19,9,4,(1I9V ) yeast t RNA (Phe),Mode of action is not known.,1373618,,,,,,"Hayashi I, Perez-Magallanes M, Rossi JM. Neurotrophic factor-like activity in Drosophila. Biochem Biophys Res Commun. 1992 Apr 15;184(1):73-9. doi: 10.1016/0006-291x(92)91159-n. PMID: 1373618.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1373618/,,,,,,4454,Yes,Yes,,DB00452,https://go.drugbank.com/drugs/DB00452,
DBoRL2,1-N-Acetyl sisomicin,"N-(5-amino-4-{[3-amino-6-(aminomethyl)oxan-2-yl]oxy}-2-{[3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy}-3-hydroxycyclohexyl)acetamide",CNC1C(O)C(OC2C(NC(C)=O)CC(N)C(OC3OC(CN)CCC3N)C2O)OCC1(C)O,"InChI=1/C21H41N5O8/c1-9(27)26-13-6-12(24)16(33-19-11(23)5-4-10(7-22)32-19)14(28)17(13)34-20-15(29)18(25-3)21(2,30)8-31-20/h10-20,25,28-30H,4-8,22-24H2,1-3H3,(H,26,27)",NVWHEJSLTXSZGG-UHFFFAOYNA-N,C21H41N5O8,Not Found,491.586,-4.167464345,8,12,7,3,"Yeast t-RNA, T4 phage derived td intron.","1-N-Acetyl sisomicin, an aminoglycoside antibiotic, non-competitively inhibit group I intron RNA self-splicing.",1518063,,,,,,"von Ahsen U, Davies J, Schroeder R. Non-competitive inhibition of group I intron RNA self-splicing by aminoglycoside antibiotics. J Mol Biol. 1992 Aug 20;226(4):935-41. doi: 10.1016/0022-2836(92)91043-o. PMID: 1518063.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1518063/,,,,,,Not Found,No,No,,,,
DBoRL3,Garamine,"2-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diol",CNC1C(O)C(OC2C(N)CC(N)C(O)C2O)OCC1(C)O,"InChI=1/C13H27N3O6/c1-13(20)4-21-12(9(19)11(13)16-2)22-10-6(15)3-5(14)7(17)8(10)18/h5-12,16-20H,3-4,14-15H2,1-2H3",ONKJLIUSEXIAKL-UHFFFAOYNA-N,C13H27N3O6,Not Found,321.374,-3.839704003,7,9,3,2,T4 phage derived td intron,"Garamine, an aminoglycoside antibiotic, non-competitively inhibit group I intron RNA self-splicing.",1518063,,,,,,"von Ahsen U, Davies J, Schroeder R. Non-competitive inhibition of group I intron RNA self-splicing by aminoglycoside antibiotics. J Mol Biol. 1992 Aug 20;226(4):935-41. doi: 10.1016/0022-2836(92)91043-o. PMID: 1518063.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1518063/,,,,,,14699894,No,No,,,,
DBoRL4,Pentisomicin,"2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diol",CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CN)=CCC3N)C2O)OCC1(C)O,"InChI=1/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3",URWAJWIAIPFPJE-UHFFFAOYNA-N,C19H37N5O7,Not Found,447.533,-4.318567551,8,12,6,3,"Yeast t-RNA, T4 phage derived td intron.","Pentisomicin, an aminoglycoside antibiotic, non-competitively inhibit group I intron RNA self-splicing.",1518063,,,,,,"von Ahsen U, Davies J, Schroeder R. Non-competitive inhibition of group I intron RNA self-splicing by aminoglycoside antibiotics. J Mol Biol. 1992 Aug 20;226(4):935-41. doi: 10.1016/0022-2836(92)91043-o. PMID: 1518063.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1518063/,,,,,,5224,Yes,No,Investigational,DB12604,https://go.drugbank.com/drugs/DB12604,
DBoRL5,Phospho gentamicin,"6-{[4,6-diamino-3-({3-amino-6-[1-(methylamino)ethyl]oxan-2-yl}oxy)-2-hydroxycyclohexyl]oxy}-5-[(hydroxyphospho)oxy]-3-methyl-4-(methylamino)oxan-3-ol",CNC(C)C1CCC(N)C(OC2C(N)CC(N)C(OC3OCC(C)(O)C(NC)C3O[PH](=O)(=O)O)C2O)O1,"InChI=1/C21H44N5O10P/c1-9(25-3)13-6-5-10(22)19(33-13)34-15-11(23)7-12(24)16(14(15)27)35-20-17(36-37(29,30)31)18(26-4)21(2,28)8-32-20/h9-20,25-28,37H,5-8,22-24H2,1-4H3,(H,29,30,31)",NCVFCZYBHAWZBB-UHFFFAOYNA-N,C21H44N5O10P,Not Found,557.582,-6.198035303,8,14,9,3,T4 phage derived td intron,"Phospho gentamicin, an aminoglycoside antibiotic, non-competitively inhibit group I intron RNA self-splicing.",1518063,,,,,,"von Ahsen U, Davies J, Schroeder R. Non-competitive inhibition of group I intron RNA self-splicing by aminoglycoside antibiotics. J Mol Biol. 1992 Aug 20;226(4):935-41. doi: 10.1016/0022-2836(92)91043-o. PMID: 1518063.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1518063/,,,,,,Not Found,No,No,,,,
DBoRL6,Sorbistin,"N-{6-[(1,4-diamino-2,5,6-trihydroxyhexan-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}acetamide",CC(=O)NC1C(CO)OC(OC(C(O)CN)C(N)C(O)CO)C(O)C1O,"InChI=1/C14H29N3O9/c1-5(20)17-10-8(4-19)25-14(12(24)11(10)23)26-13(6(21)2-15)9(16)7(22)3-18/h6-14,18-19,21-24H,2-4,15-16H2,1H3,(H,17,20)",UWAJGPKPIKRBHZ-UHFFFAOYNA-N,C14H29N3O9,Not Found,383.398,-6.002653281,9,11,9,1,T4 phage derived td intron,"Sorbistin, an aminoglycoside antibiotic, non-competitively inhibit group I intron RNA self-splicing.",1518063,,,,,,"von Ahsen U, Davies J, Schroeder R. Non-competitive inhibition of group I intron RNA self-splicing by aminoglycoside antibiotics. J Mol Biol. 1992 Aug 20;226(4):935-41. doi: 10.1016/0022-2836(92)91043-o. PMID: 1518063.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1518063/,,,,,,78178663,No,No,,,,
DBoRL7,"2,5,6,11-Tetramethylpyrido[4,3-b]carbazol-2-ium-9-ol","9-hydroxy-2,5,6,11-tetramethyl-6H-pyrido[4,3-b]carbazol-2-ium",Cc1c2c[n+](C)ccc2c(C)c2c1c1cc(O)ccc1n2C,"InChI=1S/C19H18N2O/c1-11-16-10-20(3)8-7-14(16)12(2)19-18(11)15-9-13(22)5-6-17(15)21(19)4/h5-10H,1-4H3/p+1",DOLXKRGCDYCTQR-UHFFFAOYSA-O,C19H19N2O,69467-90-9,291.373,-0.133724818,1,1,0,4,poly (I). poly C,"2,5,6,11-Tetramethylpyrido[4,3-b]carbazol-2-ium-9-ol binds with poly (I). poly C sequence of human foreskin fibroblast-vesicular stomatitis virus (HSF-VSV) and modulate the antiviral activity.",1696507,,,,,,"Jamison J, Krabill K, Flowers D, Tsai CC. In vitro antiviral activity of poly (A-U) and ellipticines. Biochimie. 1990 Apr;72(4):235-43. doi: 10.1016/0300-9084(90)90078-u. PMID: 1696507.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1696507/,,,,,,125770,No,No,,,,
DBoRL8,DMHE,"9-hydroxy-2,5,6,11-tetramethyl-6H-pyrido[4,3-b]carbazol-2-ium",CN1C2=C(C=C(O)C=C2)C2=C1C(C)=C1C=C[N+](C)=CC1=C2C,"InChI=1S/C19H18N2O/c1-11-16-10-20(3)8-7-14(16)12(2)19-18(11)15-9-13(22)5-6-17(15)21(19)4/h5-10H,1-4H3/p+1",DOLXKRGCDYCTQR-UHFFFAOYSA-O,C19H19N2O,69467-90-9,291.373,-0.133724818,1,1,0,4,poly (I). poly C,DMHE binds as a modulator with poly (I). poly C sequence of human foreskin fibroblast-vesicular stomatitis virus (HSF-VSV) and modulate the antiviral activity.,1696507,,,,,,"Jamison J, Krabill K, Flowers D, Tsai CC. In vitro antiviral activity of poly (A-U) and ellipticines. Biochimie. 1990 Apr;72(4):235-43. doi: 10.1016/0300-9084(90)90078-u. PMID: 1696507.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1696507/,,,,,,125770,No,No,,,,
DBoRL9,Elliptinium,"9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium",Cc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(O)cc12,"InChI=1S/C18H16N2O/c1-10-15-9-20(3)7-6-13(15)11(2)18-17(10)14-8-12(21)4-5-16(14)19-18/h4-9,21H,1-3H3/p+1",YZQRAQOSAPWELU-UHFFFAOYSA-O,C18H17N2O,58337-34-1,277.346,-0.357400884,2,1,0,4,poly (I). poly C,Elliptinium binds with poly (I). poly C sequence of human foreskin fibroblast-vesicular stomatitis virus (HSF-VSV) and modulate the antiviral activity.,1696507,,,,,,"Jamison J, Krabill K, Flowers D, Tsai CC. In vitro antiviral activity of poly (A-U) and ellipticines. Biochimie. 1990 Apr;72(4):235-43. doi: 10.1016/0300-9084(90)90078-u. PMID: 1696507.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1696507/,,,,,,42723,No,No,,,,
DBoRL10,NMHE,"9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium",CC1=C2C=C[N+](C)=CC2=C(C)C2=C1NC1=C2C=C(O)C=C1,"InChI=1S/C18H16N2O/c1-10-15-9-20(3)7-6-13(15)11(2)18-17(10)14-8-12(21)4-5-16(14)19-18/h4-9,21H,1-3H3/p+1",YZQRAQOSAPWELU-UHFFFAOYSA-O,C18H17N2O,58337-34-1,277.346,-0.357400884,2,1,0,4,poly (I). poly C,NMHE binds as a modulator with poly (I). poly C sequence of human foreskin fibroblast-vesicular stomatitis virus (HSF-VSV) and modulate the antiviral activity.,1696507,,,,,,"Jamison J, Krabill K, Flowers D, Tsai CC. In vitro antiviral activity of poly (A-U) and ellipticines. Biochimie. 1990 Apr;72(4):235-43. doi: 10.1016/0300-9084(90)90078-u. PMID: 1696507.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1696507/,,,,,,42723,No,No,,,,
DBoRL11,Cibacron Blue,"1-amino-4-{[4-({4-chloro-6-[(2-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-3-sulfophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",NC1=C(C=C(NC2=CC=C(NC3=NC(Cl)=NC(NC4=CC=CC=C4S(O)(=O)=O)=N3)C(=C2)S(O)(=O)=O)C2=C1C(=O)C1=CC=CC=C1C2=O)S(O)(=O)=O,"InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)",YKCWQPZFAFZLBI-UHFFFAOYSA-N,C29H20ClN7O11S3,84166-13-2,774.15,-0.745756247,7,18,9,6,Aptamer,Mode of action is not known.,1697402,,,,,,"Ellington AD, Szostak JW. In vitro selection of RNA molecules that bind specific ligands. Nature. 1990 Aug 30;346(6287):818-22. doi: 10.1038/346818a0. PMID: 1697402.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1697402/,,,,,,172469,Yes,No,Experimental,DB02633,https://go.drugbank.com/drugs/DB02633,
DBoRL12,Reactive Blue 4,"1-amino-4-({3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",Nc1c(S(=O)(=O)O)cc(Nc2ccc(S(=O)(=O)O)c(Nc3nc(Cl)nc(Cl)n3)c2)c2c1C(=O)c1ccccc1C2=O,"InChI=1S/C23H14Cl2N6O8S2/c24-21-29-22(25)31-23(30-21)28-12-7-9(5-6-14(12)40(34,35)36)27-13-8-15(41(37,38)39)18(26)17-16(13)19(32)10-3-1-2-4-11(10)20(17)33/h1-8,27H,26H2,(H,34,35,36)(H,37,38,39)(H,28,29,30,31)",RTLULCVBFCRQKI-UHFFFAOYSA-N,C23H14Cl2N6O8S2,13324-20-4,637.42,1.387939199,5,14,6,5,Aptamer,Mode of action is not known.,1697402,,,,,,"Ellington AD, Szostak JW. In vitro selection of RNA molecules that bind specific ligands. Nature. 1990 Aug 30;346(6287):818-22. doi: 10.1038/346818a0. PMID: 1697402.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1697402/,,,,,,25863,No,No,,,,
DBoRL13,Bluensomicina,"3-[(diaminomethylidene)amino]-4-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl)oxy]-2,5,6-trihydroxycyclohexyl carbamate",CNC1C(OC2C(OC3C(O)C(O)C(OC(N)=O)C(O)C3N=C(N)N)OC(C)C2(O)CO)OC(CO)C(O)C1O,"InChI=1/C21H39N5O14/c1-5-21(35,4-28)16(40-17-8(25-2)10(30)9(29)6(3-27)37-17)18(36-5)38-14-7(26-19(22)23)11(31)15(39-20(24)34)13(33)12(14)32/h5-18,25,27-33,35H,3-4H2,1-2H3,(H2,24,34)(H4,22,23,26)",RQLDKUSQKQMFCN-UHFFFAOYNA-N,C21H39N5O14,Not Found,585.564,-6.622827956,12,17,10,3,td wildtype group IA2,Bluensomicina has ability to interact with td wildtype group IA2 but has no ability to inhibits the splicing of wild-type ribozyme.,1710351,,,,,,"von Ahsen U, Schroeder R. Streptomycin inhibits splicing of group I introns by competition with the guanosine substrate. Nucleic Acids Res. 1991 May 11;19(9):2261-5. doi: 10.1093/nar/19.9.2261. PMID: 1710351; PMCID: PMC329428.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1710351/,,,,,,23447014,No,No,,,,
DBoRL14,Myomycin,"2,6-bis(carbamoyloxy)-3-({4-[(diaminomethylidene)amino]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-4,5-dihydroxycyclohexyl 3-amino-6-(3,6-diaminohexanamido)hexanoate",NCCCC(N)CC(=O)NCCCC(N)CC(=O)OC1C(OC(N)=O)C(O)C(O)C(OC2OC(CO)C(O)C(N=C(N)N)C2O)C1OC(N)=O,"InChI=1/C27H51N9O14/c28-5-1-3-10(29)7-13(38)35-6-2-4-11(30)8-14(39)47-22-21(49-26(33)44)19(43)18(42)20(23(22)50-27(34)45)48-24-17(41)15(36-25(31)32)16(40)12(9-37)46-24/h10-12,15-24,37,40-43H,1-9,28-30H2,(H2,33,44)(H2,34,45)(H,35,38)(H4,31,32,36)",FWIWJTXEUZDJRI-UHFFFAOYNA-N,C27H51N9O14,Not Found,725.754,-8.177474377,13,17,21,2,A-site 16S rRNA (E.coli),Myomycin targets and binds with bacterial 16s rRNA A site and inhibit the translation process. Myomycin also inhibits splicing of group I introns by competition with the guanosine substrate.,1710351,,,,,,"von Ahsen U, Schroeder R. Streptomycin inhibits splicing of group I introns by competition with the guanosine substrate. Nucleic Acids Res. 1991 May 11;19(9):2261-5. doi: 10.1093/nar/19.9.2261. PMID: 1710351; PMCID: PMC329428.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1710351/,,,,,,78302562,No,No,,,,
DBoRL15,"[6-(Diethylamino)-9-(2,4-disulfophenyl)xanthen-3-ylidene]-diethylazanium","6-(diethylamino)-9-(2,4-disulfophenyl)-N,N-diethyl-3H-xanthen-3-iminium",CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1,"InChI=1S/C27H30N2O7S2/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35)/p+1",IOOMXAQUNPWDLL-UHFFFAOYSA-O,C27H31N2O7S2,Not Found,559.67,1.250481176,2,8,7,4,Poly r(A-U),"[6-(Diethylamino)-9-(2,4-disulfophenyl)xanthen-3-ylidene]-diethylazanium, a xanthine dye, binds as a modulator with poly r(A-U) sequence of human foreskin fibroblast - vesicular stomatitis virus and show antiviral activity.",1964628,,,,,,"Jamison JM, Krabill K, Hatwalkar A, Jamison E, Tsai CC. Potentiation of the antiviral activity of poly r(A-U) by xanthene dyes. Cell Biol Int Rep. 1990 Dec;14(12):1075-84. doi: 10.1016/0309-1651(90)90015-q. PMID: 1964628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1964628/,,,,,,65192,No,No,,,,
DBoRL16,Eosin B,"2-[4-bromo-5-hydroxy-2,7-dinitro-3-oxo-6-(sodiooxy)-3H-xanthen-9-yl]benzoic acid",OC(=O)C1=CC=CC=C1C1=C2C=C(C(=O)C(Br)=C2OC2=C(O)C(O[Na])=C(C=C12)[N+]([O-])=O)[N+]([O-])=O,"InChI=1S/C20H9BrN2O10.Unable to Compute/c21-14-15(24)11(22(29)30)5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(23(31)32)16(25)17(26)19(10)33-18(9)14;/h1-6,25-26H,(H,27,28);/q;+1/p-1",DQMBGUXEAQQWPF-UHFFFAOYSA-M,C20H8BrN2NaO10,Not Found,539.182,4.0966,2,10,4,4,Poly r(A-U),Eosin B binds with poly r(A-U) as a modulator and enhancing the antiviral activity of poly r(A-U).,1964628,,,,,,"Jamison JM, Krabill K, Hatwalkar A, Jamison E, Tsai CC. Potentiation of the antiviral activity of poly r(A-U) by xanthene dyes. Cell Biol Int Rep. 1990 Dec;14(12):1075-84. doi: 10.1016/0309-1651(90)90015-q. PMID: 1964628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1964628/,,,,,,Not Found,No,No,,,,
DBoRL17,Eosin B,"disodium 2-(4,5-dibromo-2,7-dinitro-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate",O=C([O-])c1ccccc1-c1c2cc([N+](=O)[O-])c(=O)c(Br)c-2oc2c(Br)c([O-])c([N+](=O)[O-])cc12.[Na+].[Na+],"InChI=1S/C20H8Br2N2O9.2Unable to Compute/c21-14-16(25)11(23(29)30)5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(24(31)32)17(26)15(22)19(10)33-18(9)14;;/h1-6,25H,(H,27,28);;/q;2*+1/p-2",GYYTYUGGVBYJHE-UHFFFAOYSA-L,C20H6Br2N2Na2O9,Not Found,624.061,4.31751478,0,9,3,4,Poly r(A-U),"Eosin B, a xanthine dye, binds as a modulator with poly r(A-U) sequence of human foreskin fibroblast - vesicular stomatitis virus and show antiviral activity.",1964628,,,,,,"Jamison JM, Krabill K, Hatwalkar A, Jamison E, Tsai CC. Potentiation of the antiviral activity of poly r(A-U) by xanthene dyes. Cell Biol Int Rep. 1990 Dec;14(12):1075-84. doi: 10.1016/0309-1651(90)90015-q. PMID: 1964628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1964628/,,,,,,29090,Yes,No,Experimental,DB13706,https://go.drugbank.com/drugs/DB13706,This is the isomeric form of the drug approved by USFDA.
DBoRL18,"Fluoresceinamin, isomer I",5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid,Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1,"InChI=1S/C20H13NO5/c21-10-1-4-13(16(7-10)20(24)25)19-14-5-2-11(22)8-17(14)26-18-9-12(23)3-6-15(18)19/h1-9,22H,21H2,(H,24,25)",UTUYQGGHTUQHQQ-UHFFFAOYSA-N,C20H13NO5,Not Found,347.326,1.939250299,3,6,1,4,Poly r(A-U),"Fluoresceinamin, isomer I, a xanthine dye, binds as a modulator with poly r(A-U) sequence of human foreskin fibroblast - vesicular stomatitis virus and show antiviral activity.",1964628,,,,,,"Jamison JM, Krabill K, Hatwalkar A, Jamison E, Tsai CC. Potentiation of the antiviral activity of poly r(A-U) by xanthene dyes. Cell Biol Int Rep. 1990 Dec;14(12):1075-84. doi: 10.1016/0309-1651(90)90015-q. PMID: 1964628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1964628/,,,,,,5138213,Yes,No,Experimental,DB02455,https://go.drugbank.com/drugs/DB02455,This is the isomeric form of the drug approved by USFDA.
DBoRL19,"Fluoresceinamin, isomer II",4-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid,Nc1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1,"InChI=1S/C20H13NO5/c21-10-1-4-13(20(24)25)16(7-10)19-14-5-2-11(22)8-17(14)26-18-9-12(23)3-6-15(18)19/h1-9,22H,21H2,(H,24,25)",YHVSFLYWEAWYQT-UHFFFAOYSA-N,C20H13NO5,Not Found,347.326,2.03635182,3,6,1,4,Poly r(A-U),"Fluoresceinamin, isomer II, a xanthine dye, binds as a modulator with poly r(A-U) sequence of human foreskin fibroblast - vesicular stomatitis virus and show antiviral activity.",1964628,,,,,,"Jamison JM, Krabill K, Hatwalkar A, Jamison E, Tsai CC. Potentiation of the antiviral activity of poly r(A-U) by xanthene dyes. Cell Biol Int Rep. 1990 Dec;14(12):1075-84. doi: 10.1016/0309-1651(90)90015-q. PMID: 1964628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1964628/,,,,,,3342878,Yes,No,Experimental,DB02455,https://go.drugbank.com/drugs/DB02455,This is the isomeric form of the drug approved by USFDA.
DBoRL20,Fluoresceinamine Isomer I,5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid,NC1=CC=C(C(=C1)C(O)=O)C1=C2C=CC(=O)C=C2OC2=CC(O)=CC=C12,"InChI=1S/C20H13NO5/c21-10-1-4-13(16(7-10)20(24)25)19-14-5-2-11(22)8-17(14)26-18-9-12(23)3-6-15(18)19/h1-9,22H,21H2,(H,24,25)",UTUYQGGHTUQHQQ-UHFFFAOYSA-N,C20H13NO5,Not Found,347.326,1.939250299,3,6,1,4,Poly r(A-U),Fluoresceinamine Isomer I binds with poly r(A-U) as a modulator and enhancing the antiviral activity of poly r(A-U).,1964628,,,,,,"Jamison JM, Krabill K, Hatwalkar A, Jamison E, Tsai CC. Potentiation of the antiviral activity of poly r(A-U) by xanthene dyes. Cell Biol Int Rep. 1990 Dec;14(12):1075-84. doi: 10.1016/0309-1651(90)90015-q. PMID: 1964628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1964628/,,,,,,5138213,Yes,No,Experimental,DB02455,https://go.drugbank.com/drugs/DB02455,This is the isomeric form of the drug approved by USFDA.
DBoRL21,Fluoresceinamine Isomer II,4-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid,NC1=CC=C(C(O)=O)C(=C1)C1=C2C=CC(=O)C=C2OC2=CC(O)=CC=C12,"InChI=1S/C20H13NO5/c21-10-1-4-13(20(24)25)16(7-10)19-14-5-2-11(22)8-17(14)26-18-9-12(23)3-6-15(18)19/h1-9,22H,21H2,(H,24,25)",YHVSFLYWEAWYQT-UHFFFAOYSA-N,C20H13NO5,Not Found,347.326,2.03635182,3,6,1,4,Poly r(A-U),Fluoresceinamine Isomer II binds with poly r(A-U) as a modulator and enhancing the antiviral activity of poly r(A-U).,1964628,,,,,,"Jamison JM, Krabill K, Hatwalkar A, Jamison E, Tsai CC. Potentiation of the antiviral activity of poly r(A-U) by xanthene dyes. Cell Biol Int Rep. 1990 Dec;14(12):1075-84. doi: 10.1016/0309-1651(90)90015-q. PMID: 1964628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1964628/,,,,,,3342878,Yes,No,Experimental,DB02455,https://go.drugbank.com/drugs/DB02455,This is the isomeric form of the drug approved by USFDA.
DBoRL22,Pyronin B,"6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium",CCN(CC)C1=CC=C2C=C3C=CC(C=C3OC2=C1)=[N+](CC)CC,"InChI=1S/C21H27N2O/c1-5-22(6-2)18-11-9-16-13-17-10-12-19(23(7-3)8-4)15-21(17)24-20(16)14-18/h9-15H,5-8H2,1-4H3/q+1",BIOUTGSRJYRPFT-UHFFFAOYSA-N,C21H27N2O,4905-67-3,323.459,0.480926968,0,2,5,3,Poly r(A-U),Pyronin B binds with poly r(A-U) as a modulator and enhancing the antiviral activity of poly r(A-U).,1964628,,,,,,"Jamison JM, Krabill K, Hatwalkar A, Jamison E, Tsai CC. Potentiation of the antiviral activity of poly r(A-U) by xanthene dyes. Cell Biol Int Rep. 1990 Dec;14(12):1075-84. doi: 10.1016/0309-1651(90)90015-q. PMID: 1964628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1964628/,,,,,,16525,No,No,,,,
DBoRL23,pyronin B(1+),"6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium",CCN(CC)c1ccc2cc3ccc(=[N+](CC)CC)cc-3oc2c1,"InChI=1S/C21H27N2O/c1-5-22(6-2)18-11-9-16-13-17-10-12-19(23(7-3)8-4)15-21(17)24-20(16)14-18/h9-15H,5-8H2,1-4H3/q+1",BIOUTGSRJYRPFT-UHFFFAOYSA-N,C21H27N2O,4905-67-3,323.459,0.480926968,0,2,5,3,Poly r(A-U),"pyronin B(1+), a xanthine dye, binds as a modulator with poly r(A-U) sequence of human foreskin fibroblast - vesicular stomatitis virus and show antiviral activity.",1964628,,,,,,"Jamison JM, Krabill K, Hatwalkar A, Jamison E, Tsai CC. Potentiation of the antiviral activity of poly r(A-U) by xanthene dyes. Cell Biol Int Rep. 1990 Dec;14(12):1075-84. doi: 10.1016/0309-1651(90)90015-q. PMID: 1964628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1964628/,,,,,,16525,No,No,,,,
DBoRL24,Pyronin Y,"6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C=C3C=CC(C=C3OC2=C1)=[N+](C)C,"InChI=1S/C17H19N2O/c1-18(2)14-7-5-12-9-13-6-8-15(19(3)4)11-17(13)20-16(12)10-14/h5-11H,1-4H3/q+1",MTENKDNBVMPHAS-UHFFFAOYSA-N,C17H19N2O,17817-77-5,267.351,-0.946304851,0,2,1,3,Poly r(A-U),Pyronin Y binds with poly r(A-U) as a modulator and enhancing the antiviral activity of poly r(A-U).,1964628,,,,,,"Jamison JM, Krabill K, Hatwalkar A, Jamison E, Tsai CC. Potentiation of the antiviral activity of poly r(A-U) by xanthene dyes. Cell Biol Int Rep. 1990 Dec;14(12):1075-84. doi: 10.1016/0309-1651(90)90015-q. PMID: 1964628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1964628/,,,,,,7086,No,No,,,,
DBoRL25,Pyronin Y cation,"6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)c1ccc2cc3ccc(=[N+](C)C)cc-3oc2c1,"InChI=1S/C17H19N2O/c1-18(2)14-7-5-12-9-13-6-8-15(19(3)4)11-17(13)20-16(12)10-14/h5-11H,1-4H3/q+1",MTENKDNBVMPHAS-UHFFFAOYSA-N,C17H19N2O,17817-77-5,267.351,-0.946304851,0,2,1,3,Poly r(A-U),"Pyronin Y cation, a xanthine dye, binds as a modulator with poly r(A-U) sequence of human foreskin fibroblast - vesicular stomatitis virus and show antiviral activity.",1964628,,,,,,"Jamison JM, Krabill K, Hatwalkar A, Jamison E, Tsai CC. Potentiation of the antiviral activity of poly r(A-U) by xanthene dyes. Cell Biol Int Rep. 1990 Dec;14(12):1075-84. doi: 10.1016/0309-1651(90)90015-q. PMID: 1964628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1964628/,,,,,,7086,No,No,,,,
DBoRL26,Rhodamine 123,"6-(diethylamino)-9-(2,4-disulfophenyl)-N,N-diethyl-3H-xanthen-3-iminium",CCN(CC)C1=CC2=C(C=C1)C(C1=CC=C(C=C1S(O)(=O)=O)S(O)(=O)=O)=C1C=CC(C=C1O2)=[N+](CC)CC,"InChI=1S/C27H30N2O7S2/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35)/p+1",IOOMXAQUNPWDLL-UHFFFAOYSA-O,C27H31N2O7S2,Not Found,559.67,1.250481176,2,8,7,4,Poly r(A-U),Rhodamine 123 binds with poly r(A-U) as a modulator and enhancing the antiviral activity of poly r(A-U).,1964628,,,,,,"Jamison JM, Krabill K, Hatwalkar A, Jamison E, Tsai CC. Potentiation of the antiviral activity of poly r(A-U) by xanthene dyes. Cell Biol Int Rep. 1990 Dec;14(12):1075-84. doi: 10.1016/0309-1651(90)90015-q. PMID: 1964628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1964628/,,,,,,65192,No,No,,,,
DBoRL27,Rhodamine 6G,"6-(diethylamino)-9-[2-(ethoxycarbonyl)phenyl]-N,N-diethyl-2,7-dimethyl-3H-xanthen-3-iminium",CCOC(=O)C1=CC=CC=C1C1=C2C=C(C)C(C=C2OC2=C1C=C(C)C(=C2)N(CC)CC)=[N+](CC)CC,"InChI=1S/C32H39N2O3/c1-8-33(9-2)27-19-29-25(17-21(27)6)31(23-15-13-14-16-24(23)32(35)36-12-5)26-18-22(7)28(20-30(26)37-29)34(10-3)11-4/h13-20H,8-12H2,1-7H3/q+1",PNUIWCSDWOMVEE-UHFFFAOYSA-N,C32H39N2O3,Not Found,499.674,3.183382343,0,3,8,4,Poly r(A-U),Rhodamine 6G binds with poly r(A-U) as a modulator and enhancing the antiviral activity of poly r(A-U).,1964628,,,,,,"Jamison JM, Krabill K, Hatwalkar A, Jamison E, Tsai CC. Potentiation of the antiviral activity of poly r(A-U) by xanthene dyes. Cell Biol Int Rep. 1990 Dec;14(12):1075-84. doi: 10.1016/0309-1651(90)90015-q. PMID: 1964628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1964628/,,,,,,Not Found,Yes,No,Experimental,DB03825,https://go.drugbank.com/drugs/DB03825,This is the isomeric form of the drug approved by USFDA.
DBoRL28,Rhodamine 6G,"6-(diethylamino)-9-[2-(ethoxycarbonyl)phenyl]-N,N-diethyl-2,7-dimethyl-3H-xanthen-3-iminium",CCOC(=O)c1ccccc1-c1c2cc(C)c(=[N+](CC)CC)cc-2oc2cc(N(CC)CC)c(C)cc12,"InChI=1S/C32H39N2O3/c1-8-33(9-2)27-19-29-25(17-21(27)6)31(23-15-13-14-16-24(23)32(35)36-12-5)26-18-22(7)28(20-30(26)37-29)34(10-3)11-4/h13-20H,8-12H2,1-7H3/q+1",PNUIWCSDWOMVEE-UHFFFAOYSA-N,C32H39N2O3,Not Found,499.674,3.183382343,0,3,8,4,Poly r(A-U),"Rhodamine 6G, a xanthine dye, binds as a modulator with poly r(A-U) sequence of human foreskin fibroblast - vesicular stomatitis virus and show antiviral activity.",1964628,,,,,,"Jamison JM, Krabill K, Hatwalkar A, Jamison E, Tsai CC. Potentiation of the antiviral activity of poly r(A-U) by xanthene dyes. Cell Biol Int Rep. 1990 Dec;14(12):1075-84. doi: 10.1016/0309-1651(90)90015-q. PMID: 1964628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1964628/,,,,,,Not Found,Yes,No,Experimental,DB03825,https://go.drugbank.com/drugs/DB03825,This is the isomeric form of the drug approved by USFDA.
DBoRL29,Rhodamine B,"9-(2-carboxyphenyl)-6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium",CCN(CC)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=CC=C2C(O)=O)=[N+](CC)CC)=C1,"InChI=1S/C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32/h9-18H,5-8H2,1-4H3/p+1",CVAVMIODJQHEEH-UHFFFAOYSA-O,C28H31N2O3,"64381-98-2,14899-08-2,1326-03-0",443.566,1.781327089,1,4,6,4,Poly r(A-U),Rhodamine B binds with poly r(A-U) as a modulator and enhancing the antiviral activity of poly r(A-U).,1964628,,,,,,"Jamison JM, Krabill K, Hatwalkar A, Jamison E, Tsai CC. Potentiation of the antiviral activity of poly r(A-U) by xanthene dyes. Cell Biol Int Rep. 1990 Dec;14(12):1075-84. doi: 10.1016/0309-1651(90)90015-q. PMID: 1964628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1964628/,,,,,,6695,No,No,,,,
DBoRL30,Rhodamine B(1+),"9-(2-carboxyphenyl)-6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium",CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1,"InChI=1S/C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32/h9-18H,5-8H2,1-4H3/p+1",CVAVMIODJQHEEH-UHFFFAOYSA-O,C28H31N2O3,"64381-98-2,14899-08-2,1326-03-0",443.566,1.781327089,1,4,6,4,Poly r(A-U),"Rhodamine B(1+), a xanthine dye, binds as a modulator with poly r(A-U) sequence of human foreskin fibroblast - vesicular stomatitis virus and show antiviral activity.",1964628,,,,,,"Jamison JM, Krabill K, Hatwalkar A, Jamison E, Tsai CC. Potentiation of the antiviral activity of poly r(A-U) by xanthene dyes. Cell Biol Int Rep. 1990 Dec;14(12):1075-84. doi: 10.1016/0309-1651(90)90015-q. PMID: 1964628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1964628/,,,,,,6695,No,No,,,,
DBoRL31,SCHEMBL12761485,"16-[4-(chlorosulfonyl)-2-sulfophenyl]-3-oxa-9??,23-diazaheptacyclo[17.7.1.1?,?.0?,??.0?,??.0??,??.0??,??]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-9-ylium",O=S(=O)(O)c1cc(S(=O)(=O)Cl)ccc1C1=c2cc3c4c(c2Oc2c1cc1c5c2CCCN5CCC1)CCC[N+]=4CCC3,"InChI=1S/C31H29ClN2O6S2/c32-41(35,36)20-9-10-21(26(17-20)42(37,38)39)27-24-15-18-5-1-11-33-13-3-7-22(28(18)33)30(24)40-31-23-8-4-14-34-12-2-6-19(29(23)34)16-25(27)31/h9-10,15-17H,1-8,11-14H2/p+1",MPLHNVLQVRSVEE-UHFFFAOYSA-O,C31H30ClN2O6S2,Not Found,626.16,0.870609961,1,7,3,8,Poly r(A-U),"SCHEMBL12761485, a xanthine dye, binds as a modulator with poly r(A-U) sequence of human foreskin fibroblast - vesicular stomatitis virus and show antiviral activity.",1964628,,,,,,"Jamison JM, Krabill K, Hatwalkar A, Jamison E, Tsai CC. Potentiation of the antiviral activity of poly r(A-U) by xanthene dyes. Cell Biol Int Rep. 1990 Dec;14(12):1075-84. doi: 10.1016/0309-1651(90)90015-q. PMID: 1964628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1964628/,,,,,,452706,No,No,,,,
DBoRL32,Sulforhodamine 101,"16-[4-(chlorosulfonyl)-2-sulfophenyl]-3-oxa-9??,23-diazaheptacyclo[17.7.1.1?,?.0?,??.0?,??.0??,??.0??,??]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-9-ylium",OS(=O)(=O)C1=CC(=CC=C1C1=C2C=C3CCC[N+]4=C3C(CCC4)=C2OC2=C1C=C1CCCN3CCCC2=C13)S(Cl)(=O)=O,"InChI=1S/C31H29ClN2O6S2/c32-41(35,36)20-9-10-21(26(17-20)42(37,38)39)27-24-15-18-5-1-11-33-13-3-7-22(28(18)33)30(24)40-31-23-8-4-14-34-12-2-6-19(29(23)34)16-25(27)31/h9-10,15-17H,1-8,11-14H2/p+1",MPLHNVLQVRSVEE-UHFFFAOYSA-O,C31H30ClN2O6S2,Not Found,626.16,0.870609961,1,7,3,8,Poly r(A-U),Sulforhodamine 101 binds with poly r(A-U) as a modulator and enhancing the antiviral activity of poly r(A-U).,1964628,,,,,,"Jamison JM, Krabill K, Hatwalkar A, Jamison E, Tsai CC. Potentiation of the antiviral activity of poly r(A-U) by xanthene dyes. Cell Biol Int Rep. 1990 Dec;14(12):1075-84. doi: 10.1016/0309-1651(90)90015-q. PMID: 1964628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1964628/,,,,,,452706,No,No,,,,
DBoRL33,Sulforhodamine B,"6-(diethylamino)-9-(2,4-disulfophenyl)-N,N-diethyl-3H-xanthen-3-iminium",CCN(CC)C1=CC2=C(C=C1)C(C1=CC=C(C=C1S(O)(=O)=O)S(O)(=O)=O)=C1C=CC(C=C1O2)=[N+](CC)CC,"InChI=1S/C27H30N2O7S2/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35)/p+1",IOOMXAQUNPWDLL-UHFFFAOYSA-O,C27H31N2O7S2,Not Found,559.67,1.250481176,2,8,7,4,Poly r(A-U),Sulforhodamine B binds with poly r(A-U) as a modulator and enhancing the antiviral activity of poly r(A-U).,1964628,,,,,,"Jamison JM, Krabill K, Hatwalkar A, Jamison E, Tsai CC. Potentiation of the antiviral activity of poly r(A-U) by xanthene dyes. Cell Biol Int Rep. 1990 Dec;14(12):1075-84. doi: 10.1016/0309-1651(90)90015-q. PMID: 1964628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1964628/,,,,,,65192,No,No,,,,
DBoRL34,Sulforhodamine B,2-[6-(diethylamino)-3-(diethyliminiumyl)-3H-xanthen-9-yl]-5-sulfobenzene-1-sulfonate,CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1,"InChI=1S/C27H30N2O7S2/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35)",IOOMXAQUNPWDLL-UHFFFAOYSA-N,C27H30N2O7S2,2609-88-3,558.66,1.250481176,1,8,7,4,Poly r(A-U),"Sulforhodamine B, a xanthine dye, binds as a modulator with poly r(A-U) sequence of human foreskin fibroblast - vesicular stomatitis virus and show antiviral activity.",1964628,,,,,,"Jamison JM, Krabill K, Hatwalkar A, Jamison E, Tsai CC. Potentiation of the antiviral activity of poly r(A-U) by xanthene dyes. Cell Biol Int Rep. 1990 Dec;14(12):1075-84. doi: 10.1016/0309-1651(90)90015-q. PMID: 1964628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/1964628/,,,,,,65191,No,No,,,,
DBoRL35,Fe EDTA,2-({2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetic acid iron,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Fe],"InChI=1S/C10H16N2O8.Fe/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);",LMSDCGXQALIMLM-UHFFFAOYSA-N,C10H16FeN2O8,Not Found,348.089,-2.365554941,4,10,11,0,t-RNA ,Fe EDTA catalysed the cleavage of tRNAphe.,2110477,,,,,,"Celander DW, Cech TR. Iron(II)-ethylenediaminetetraacetic acid catalyzed cleavage of RNA and DNA oligonucleotides: similar reactivity toward single- and double-stranded forms. Biochemistry. 1990 Feb 13;29(6):1355-61. doi: 10.1021/bi00458a001. PMID: 2110477.",,,,,,https://pubmed.ncbi.nlm.nih.gov/2110477/,,,,,,3763004,No,No,,,,
DBoRL36,Ametantrone (HAQ),"1,4-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione",[H]C1=C([H])C2=C(C([H])=C1[H])C(=O)C1=C(C2=O)C(NCCNCCO)=C([H])C([H])=C1NCCNCCO,"InChI=1S/C22H28N4O4/c27-13-11-23-7-9-25-17-5-6-18(26-10-8-24-12-14-28)20-19(17)21(29)15-3-1-2-4-16(15)22(20)30/h1-6,23-28H,7-14H2",FFGSXKJJVBXWCY-UHFFFAOYSA-N,C22H28N4O4,64862-96-0,412.49,1.055251475,6,8,12,3,Poly r(A-U),Ametantrone (HAQ) binds with poly r(A-U) as a modulator and enhancing the antiviral activity of poly r(A-U).,2155366,,,,,,"Jamison JM, Krabill K, Flowers DG, Tsai C. Enhancement of the antiviral activity of poly r(A-U) by ametantrone and mitoxantrone. Life Sci. 1990;46(9):653-61. doi: 10.1016/0024-3205(90)90134-d. PMID: 2155366.",,,,,,https://pubmed.ncbi.nlm.nih.gov/2155366/,,,,,,2134,No,No,,,,
DBoRL37,Mitoxantrone (DHAQ),"1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione",[H]C1=C(O)C2=C(C(O)=C1[H])C(=O)C1=C(C2=O)C(NCCNCCO)=C([H])C([H])=C1NCCNCCO,"InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2",KKZJGLLVHKMTCM-UHFFFAOYSA-N,C22H28N4O6,65271-80-9,444.488,0.651459895,8,10,12,3,Poly r(A-U),Mitoxantrone (DHAQ) binds with poly r(A-U) as a modulator and enhancing the antiviral activity of poly r(A-U).,2155366,,,,,,"Jamison JM, Krabill K, Flowers DG, Tsai C. Enhancement of the antiviral activity of poly r(A-U) by ametantrone and mitoxantrone. Life Sci. 1990;46(9):653-61. doi: 10.1016/0024-3205(90)90134-d. PMID: 2155366.",,,,,,https://pubmed.ncbi.nlm.nih.gov/2155366/,,,,,,4212,Yes,Yes,Investigational,DB01204,https://go.drugbank.com/drugs/DB01204,
DBoRL38,Ametantrone,"1,4-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione",O=C1c2ccccc2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21,"InChI=1S/C22H28N4O4/c27-13-11-23-7-9-25-17-5-6-18(26-10-8-24-12-14-28)20-19(17)21(29)15-3-1-2-4-16(15)22(20)30/h1-6,23-28H,7-14H2",FFGSXKJJVBXWCY-UHFFFAOYSA-N,C22H28N4O4,64862-96-0,412.49,1.055251475,6,8,12,3,Poly r(A-U),Ametantrone binds with poly r(A-U) sequence and show antiviral activity.,2470520,,,,,,"Jamison JM, Flowers DG, Kitareewan S, Krabill K, Tsai CC. Potentiation of the antiviral activity of poly r(A-U) by riboflavin, FAD and FMN. Cell Biol Int Rep. 1989 Feb;13(2):215-22. doi: 10.1016/0309-1651(89)90068-4. PMID: 2470520.",,,,,,https://pubmed.ncbi.nlm.nih.gov/2470520/,,,,,,2134,No,No,,,,
DBoRL39,FAD,"{[(2R,3S,4R,5R)-5-(6-amino-7H-purin-7-yl)-3,4-dihydroxyoxolan-2-yl]oxy}[({[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid",CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)O[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1C(N)=NC=N3)C1=NC(=O)NC(=O)C1=N2,"InChI=1S/C26H31N9O15P2/c1-9-3-11-12(4-10(9)2)34(22-15(31-11)23(41)33-26(42)32-22)5-13(36)17(38)14(37)6-47-51(43,44)50-52(45,46)49-25-19(40)18(39)24(48-25)35-8-30-21-16(35)20(27)28-7-29-21/h3-4,7-8,13-14,17-19,24-25,36-40H,5-6H2,1-2H3,(H,43,44)(H,45,46)(H2,27,28,29)(H,33,41,42)/t13-,14+,17-,18+,19-,24+,25+/m0/s1",WCZGQOJLKXCACT-IGTKDSFLSA-N,C26H31N9O15P2,Not Found,771.53,-4.892794525,9,19,12,6,poly r(A-U),FAD binds with poly r(A-U) sequence and modulate the antiviral activity of poly r(A-U).,2470520,,,,,,"Jamison JM, Flowers DG, Kitareewan S, Krabill K, Tsai CC. Potentiation of the antiviral activity of poly r(A-U) by riboflavin, FAD and FMN. Cell Biol Int Rep. 1989 Feb;13(2):215-22. doi: 10.1016/0309-1651(89)90068-4. PMID: 2470520.",,,,,,https://pubmed.ncbi.nlm.nih.gov/2470520/,,,,,,Not Found,Yes,Yes,,DB03147,https://go.drugbank.com/drugs/DB03147,This is the isomeric form of the drug approved by USFDA.
DBoRL40,FMN,"{[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy}phosphonic acid",CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=NC(=O)NC(=O)C1=N2,"InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1",FVTCRASFADXXNN-SCRDCRAPSA-N,C17H21N4O9P,146-17-8,456.348,-1.198429543,6,11,7,3,poly r(A-U),FMN binds with poly r(A-U) sequence and modulate the antiviral activity of poly r(A-U).,2470520,,,,,,"Jamison JM, Flowers DG, Kitareewan S, Krabill K, Tsai CC. Potentiation of the antiviral activity of poly r(A-U) by riboflavin, FAD and FMN. Cell Biol Int Rep. 1989 Feb;13(2):215-22. doi: 10.1016/0309-1651(89)90068-4. PMID: 2470520.",,,,,,https://pubmed.ncbi.nlm.nih.gov/2470520/,,,,,,643976,Yes,Yes,Investigational,DB03247,https://go.drugbank.com/drugs/DB03247,
DBoRL41,Riboflavin (RFN),"7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione",CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO)C1=NC(=O)NC(=O)C1=N2,"InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1",AUNGANRZJHBGPY-SCRDCRAPSA-N,C17H20N4O6,83-88-5,376.369,-0.91654026,5,9,5,3,poly r(A-U),Riboflavin (RFN) binds with poly r(A-U) sequence and modulate the antiviral activity of poly r(A-U).,2470520,,,,,,"Jamison JM, Flowers DG, Kitareewan S, Krabill K, Tsai CC. Potentiation of the antiviral activity of poly r(A-U) by riboflavin, FAD and FMN. Cell Biol Int Rep. 1989 Feb;13(2):215-22. doi: 10.1016/0309-1651(89)90068-4. PMID: 2470520.",,,,,,https://pubmed.ncbi.nlm.nih.gov/2470520/,,,,,,493570,Yes,Yes,Investigational Nutraceutical Vet_approved,DB00140,https://go.drugbank.com/drugs/DB00140,
DBoRL42,2-Guanidinio Succinic Acid,2-carbamimidamidobutanedioate,N=C(N)NC(CC(=O)[O-])C(=O)[O-],"InChI=1/C5H9N3O4/c6-5(7)8-2(4(11)12)1-3(9)10/h2H,1H2,(H,9,10)(H,11,12)(H4,6,7,8)/p-2",VVHOUVWJCQOYGG-UHFFFAOYNA-L,C5H7N3O4,Not Found,173.129,-3.283594061,3,7,4,0,IVS of Tetrahymena ,2-Guanidinio Succinic Acid competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,2653441,,,,,,Yarus M. Specificity of arginine binding by the Tetrahymena intron. Biochemistry. 1989 Feb 7;28(3):980-8. doi: 10.1021/bi00429a010. PMID: 2653441.,,,,,,https://pubmed.ncbi.nlm.nih.gov/2653441/,,,,,,19361066,No,No,,,,
DBoRL43,3-guanidinic propionic acid,3-[(diaminomethylidene)amino]propanoic acid,NC(N)=NCCC(=O)O,"InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7)",KMXXSJLYVJEBHI-UHFFFAOYSA-N,C4H9N3O2,353-09-3,131.135,-2.943157569,3,5,3,0,IVS of Tetrahymena ,3-guanidinic propionic acid competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,2653441,,,,,,Yarus M. Specificity of arginine binding by the Tetrahymena intron. Biochemistry. 1989 Feb 7;28(3):980-8. doi: 10.1021/bi00429a010. PMID: 2653441.,,,,,,https://pubmed.ncbi.nlm.nih.gov/2653441/,,,,,,67701,No,No,,,,
DBoRL44,4-guanidinic butyric acid ,4-carbamimidamidobutanoic acid,N=C(N)NCCCC(=O)O,"InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)",TUHVEAJXIMEOSA-UHFFFAOYSA-N,C5H11N3O2,463-00-3,145.162,-2.600560969,4,5,4,0,IVS of Tetrahymena ,4-guanidinic butyric acid competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,2653441,,,,,,Yarus M. Specificity of arginine binding by the Tetrahymena intron. Biochemistry. 1989 Feb 7;28(3):980-8. doi: 10.1021/bi00429a010. PMID: 2653441.,,,,,,https://pubmed.ncbi.nlm.nih.gov/2653441/,,,,,,500,No,No,,,,
DBoRL45,5-guanidinic valeric acid,5-carbamimidamidopentanoic acid,N=C(N)NCCCCC(=O)O,"InChI=1S/C6H13N3O2/c7-6(8)9-4-2-1-3-5(10)11/h1-4H2,(H,10,11)(H4,7,8,9)",UKUBCVAQGIZRHL-UHFFFAOYSA-N,C6H13N3O2,462-93-1,159.189,-2.156010172,4,5,5,0,IVS of Tetrahymena ,5-guanidinic valeric acid competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,2653441,,,,,,Yarus M. Specificity of arginine binding by the Tetrahymena intron. Biochemistry. 1989 Feb 7;28(3):980-8. doi: 10.1021/bi00429a010. PMID: 2653441.,,,,,,https://pubmed.ncbi.nlm.nih.gov/2653441/,,,,,,160464,No,No,,,,
DBoRL46,6-guanidinic caproic acid,6-carbamimidoylhexanoic acid,N=C(N)CCCCCC(=O)O,"InChI=1S/C7H14N2O2/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H3,8,9)(H,10,11)",QIWINKZMVWJVPX-UHFFFAOYSA-N,C7H14N2O2,Not Found,158.201,-1.446883182,3,4,6,0,IVS of Tetrahymena ,6-guanidinic caproic acid competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,2653441,,,,,,Yarus M. Specificity of arginine binding by the Tetrahymena intron. Biochemistry. 1989 Feb 7;28(3):980-8. doi: 10.1021/bi00429a010. PMID: 2653441.,,,,,,https://pubmed.ncbi.nlm.nih.gov/2653441/,,,,,,23509307,No,No,,,,
DBoRL47,Creatine,2-(N-methylcarbamimidamido)acetic acid,CN(CC(=O)O)C(=N)N,"InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)",CVSVTCORWBXHQV-UHFFFAOYSA-N,C4H9N3O2,"57-00-1,1093737-19-9",131.135,-2.864257582,3,5,2,0,IVS of Tetrahymena ,Creatine competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,2653441,,,,,,Yarus M. Specificity of arginine binding by the Tetrahymena intron. Biochemistry. 1989 Feb 7;28(3):980-8. doi: 10.1021/bi00429a010. PMID: 2653441.,,,,,,https://pubmed.ncbi.nlm.nih.gov/2653441/,,,,,,586,Yes,Yes,Investigational Nutraceutical,DB00148,https://go.drugbank.com/drugs/DB00148,
DBoRL48,Creatinine ,"2-amino-1-methyl-4,5-dihydro-1H-imidazol-4-one",CN1CC(=O)N=C1N,"InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)",DDRJAANPRJIHGJ-UHFFFAOYSA-N,C4H7N3O,Not Found,113.12,-1.459419545,1,4,0,1,IVS of Tetrahymena ,Creatinine competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,2653441,,,,,,Yarus M. Specificity of arginine binding by the Tetrahymena intron. Biochemistry. 1989 Feb 7;28(3):980-8. doi: 10.1021/bi00429a010. PMID: 2653441.,,,,,,https://pubmed.ncbi.nlm.nih.gov/2653441/,,,,,,588,No,No,,,,
DBoRL49,D-Arginine,2-amino-5-[(diaminomethylidene)amino]pentanoic acid,NC(N)=NCCCC(N)C(=O)O,"InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)",ODKSFYDXXFIFQN-UHFFFAOYNA-N,C6H14N4O2,Not Found,174.204,-3.239737259,4,6,5,0,IVS of Tetrahymena ,D-Arginine competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,2653441,,,,,,Yarus M. Specificity of arginine binding by the Tetrahymena intron. Biochemistry. 1989 Feb 7;28(3):980-8. doi: 10.1021/bi00429a010. PMID: 2653441.,,,,,,https://pubmed.ncbi.nlm.nih.gov/2653441/,,,,,,232,No,No,,,,
DBoRL50,Ethyl Guanidinium ,N-ethylguanidine,CCNC(=N)N,"InChI=1S/C3H9N3/c1-2-6-3(4)5/h2H2,1H3,(H4,4,5,6)",KEWLVUBYGUZFKX-UHFFFAOYSA-N,C3H9N3,503-69-5,87.126,-0.602421661,3,3,1,0,IVS of Tetrahymena ,Ethyl Guanidinium competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,2653441,,,,,,Yarus M. Specificity of arginine binding by the Tetrahymena intron. Biochemistry. 1989 Feb 7;28(3):980-8. doi: 10.1021/bi00429a010. PMID: 2653441.,,,,,,https://pubmed.ncbi.nlm.nih.gov/2653441/,,,,,,29544,No,No,,,,
DBoRL51,Guanidinic Formic acid ,carbamimidoylcarbamic acid,N=C(N)NC(=O)O,"InChI=1S/C2H5N3O2/c3-1(4)5-2(6)7/h(H,6,7)(H4,3,4,5)",MFLYTCSVJYYAOR-UHFFFAOYSA-N,C2H5N3O2,Not Found,103.081,-2.476927294,4,4,0,0,IVS of Tetrahymena ,Guanidinic Formic acid competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,2653441,,,,,,Yarus M. Specificity of arginine binding by the Tetrahymena intron. Biochemistry. 1989 Feb 7;28(3):980-8. doi: 10.1021/bi00429a010. PMID: 2653441.,,,,,,https://pubmed.ncbi.nlm.nih.gov/2653441/,,,,,,15590749,No,No,,,,
DBoRL52,Guanyl-Urea ,carbamimidoylurea,N=C(N)NC(N)=O,"InChI=1S/C2H6N4O/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7)",SQSPRWMERUQXNE-UHFFFAOYSA-N,C2H6N4O,141-83-3,102.097,-1.777417718,4,3,0,0,IVS of Tetrahymena ,Guanyl-Urea competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,2653441,,,,,,Yarus M. Specificity of arginine binding by the Tetrahymena intron. Biochemistry. 1989 Feb 7;28(3):980-8. doi: 10.1021/bi00429a010. PMID: 2653441.,,,,,,https://pubmed.ncbi.nlm.nih.gov/2653441/,,,,,,8859,No,No,,,,
DBoRL53,L-2-Amino-3-guanidinic propionic acid,2-amino-3-carbamimidamidopropanoic acid,N=C(N)NCC(N)C(=O)O,"InChI=1/C4H10N4O2/c5-2(3(9)10)1-8-4(6)7/h2H,1,5H2,(H,9,10)(H4,6,7,8)",XNBJHKABANTVCP-UHFFFAOYNA-N,C4H10N4O2,Not Found,146.15,-3.712868819,5,6,3,0,IVS of Tetrahymena ,L-2-Amino-3-guanidinic propionic acid competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,2653441,,,,,,Yarus M. Specificity of arginine binding by the Tetrahymena intron. Biochemistry. 1989 Feb 7;28(3):980-8. doi: 10.1021/bi00429a010. PMID: 2653441.,,,,,,https://pubmed.ncbi.nlm.nih.gov/2653441/,,,,,,433644,No,No,,,,
DBoRL54,L-2-Amino-4-guanidinic butyric acid,2-amino-4-(N'-aminomethanimidamido)butanoic acid,NN=CNCCC(N)C(=O)O,"InChI=1/C5H12N4O2/c6-4(5(10)11)1-2-8-3-9-7/h3-4H,1-2,6-7H2,(H,8,9)(H,10,11)",FEOGQHIHLDRZBR-UHFFFAOYNA-N,C5H12N4O2,Not Found,160.177,-4.140964285,4,6,4,0,IVS of Tetrahymena ,L-2-Amino-4-guanidinic butyric acid competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,2653441,,,,,,Yarus M. Specificity of arginine binding by the Tetrahymena intron. Biochemistry. 1989 Feb 7;28(3):980-8. doi: 10.1021/bi00429a010. PMID: 2653441.,,,,,,https://pubmed.ncbi.nlm.nih.gov/2653441/,,,,,,3014815,No,No,,,,
DBoRL55,L-2-Hydroxy-5-Guanidic valericacid,5-carbamimidamido-2-hydroxypentanoic acid,N=C(N)NCCCC(O)C(=O)O,"InChI=1/C6H13N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h4,10H,1-3H2,(H,11,12)(H4,7,8,9)",BMFMQGXDDJALKQ-UHFFFAOYNA-N,C6H13N3O3,Not Found,175.188,-3.027027522,5,6,5,0,IVS of Tetrahymena ,L-2-Hydroxy-5-Guanidic valericacid competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,2653441,,,,,,Yarus M. Specificity of arginine binding by the Tetrahymena intron. Biochemistry. 1989 Feb 7;28(3):980-8. doi: 10.1021/bi00429a010. PMID: 2653441.,,,,,,https://pubmed.ncbi.nlm.nih.gov/2653441/,,,,,,239955,No,No,,,,
DBoRL56,L-arginine,2-amino-5-[(diaminomethylidene)amino]pentanoic acid,NC(N)=NCCCC(N)C(=O)O,"InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)",ODKSFYDXXFIFQN-UHFFFAOYNA-N,C6H14N4O2,Not Found,174.204,-3.239737259,4,6,5,0,IVS of Tetrahymena ,L-Arginine competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,2653441,,,,,,Yarus M. Specificity of arginine binding by the Tetrahymena intron. Biochemistry. 1989 Feb 7;28(3):980-8. doi: 10.1021/bi00429a010. PMID: 2653441.,,,,,,https://pubmed.ncbi.nlm.nih.gov/2653441/,,,,,,232,Yes,No,,,,
DBoRL57,L-Canavanine,2-amino-4-{[(diaminomethylidene)amino]oxy}butanoic acid,NC(N)=NOCCC(N)C(=O)O,"InChI=1/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)",FSBIGDSBMBYOPN-UHFFFAOYNA-N,C5H12N4O3,Not Found,176.176,-4.252480758,4,7,5,0,IVS of Tetrahymena ,L-Canavanine competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,2653441,,,,,,Yarus M. Specificity of arginine binding by the Tetrahymena intron. Biochemistry. 1989 Feb 7;28(3):980-8. doi: 10.1021/bi00429a010. PMID: 2653441.,,,,,,https://pubmed.ncbi.nlm.nih.gov/2653441/,,,,,,275,No,No,,,,
DBoRL58,L-ornithine,2-(6-methylnaphthalene-1-sulfonamido)-5-(N'-nitrocarbamimidamido)pentanoic acid,Cc1ccc2c(S(=O)(=O)NC(CCCNC(=N)N[N+](=O)[O-])C(=O)O)cccc2c1,"InChI=1/C17H21N5O6S/c1-11-7-8-13-12(10-11)4-2-6-15(13)29(27,28)21-14(16(23)24)5-3-9-19-17(18)20-22(25)26/h2,4,6-8,10,14,21H,3,5,9H2,1H3,(H,23,24)(H3,18,19,20)",FPINROOCCOBTCE-UHFFFAOYNA-N,C17H21N5O6S,Not Found,423.44,-0.021919385,5,9,8,2,IVS of Tetrahymena ,L-ornithine competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,2653441,,,,,,Yarus M. Specificity of arginine binding by the Tetrahymena intron. Biochemistry. 1989 Feb 7;28(3):980-8. doi: 10.1021/bi00429a010. PMID: 2653441.,,,,,,https://pubmed.ncbi.nlm.nih.gov/2653441/,,,,,,45357632,No,No,,,,
DBoRL59,Methyl Guanidinium,(diaminomethylidene)(methyl)azanium,C[NH+]=C(N)N,"InChI=1S/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5)/p+1",CHJJGSNFBQVOTG-UHFFFAOYSA-O,C2H8N3,Not Found,74.106,-1.013162949,3,2,0,0,IVS of Tetrahymena ,Methyl Guanidinium competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,2653441,,,,,,Yarus M. Specificity of arginine binding by the Tetrahymena intron. Biochemistry. 1989 Feb 7;28(3):980-8. doi: 10.1021/bi00429a010. PMID: 2653441.,,,,,,https://pubmed.ncbi.nlm.nih.gov/2653441/,,,,,,7311729,No,No,,,,
DBoRL60,N_Benzoyl-L-Arginine Ethyl Ester,ethyl 5-carbamimidamido-2-(phenylformamido)pentanoate,CCOC(=O)C(CCCNC(=N)N)NC(=O)c1ccccc1,"InChI=1/C15H22N4O3/c1-2-22-14(21)12(9-6-10-18-15(16)17)19-13(20)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,19,20)(H4,16,17,18)",YQDHCCVUYCIGSW-UHFFFAOYNA-N,C15H22N4O3,Not Found,306.366,0.686771633,4,5,9,1,IVS of Tetrahymena ,N_Benzoyl-L-Arginine Ethyl Ester competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,2653441,,,,,,Yarus M. Specificity of arginine binding by the Tetrahymena intron. Biochemistry. 1989 Feb 7;28(3):980-8. doi: 10.1021/bi00429a010. PMID: 2653441.,,,,,,https://pubmed.ncbi.nlm.nih.gov/2653441/,,,,,,417068,No,No,,,,
DBoRL61,N-Acetyl-L-arginine,5-[(diaminomethylidene)amino]-2-acetamidopentanoic acid,CC(=O)NC(CCCN=C(N)N)C(=O)O,"InChI=1/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)",SNEIUMQYRCDYCH-UHFFFAOYNA-N,C8H16N4O3,Not Found,216.241,-3.369124335,4,6,6,0,IVS of Tetrahymena ,N-Acetyl-L-arginine competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,2653441,,,,,,Yarus M. Specificity of arginine binding by the Tetrahymena intron. Biochemistry. 1989 Feb 7;28(3):980-8. doi: 10.1021/bi00429a010. PMID: 2653441.,,,,,,https://pubmed.ncbi.nlm.nih.gov/2653441/,,,,,,102807,Yes,No,Experimental,DB01985,https://go.drugbank.com/drugs/DB01985,This is the isomeric form of the drug approved by USFDA.
DBoRL62,Urea,urea,NC(N)=O,"InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)",XSQUKJJJFZCRTK-UHFFFAOYSA-N,CH4N2O,"57-13-6,4744-36-9,37955-36-5",60.056,-1.363833862,2,1,0,0,IVS of Tetrahymena ,Urea competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,2653441,,,,,,Yarus M. Specificity of arginine binding by the Tetrahymena intron. Biochemistry. 1989 Feb 7;28(3):980-8. doi: 10.1021/bi00429a010. PMID: 2653441.,,,,,,https://pubmed.ncbi.nlm.nih.gov/2653441/,,,,,,1176,Yes,Yes,Investigational,DB03904,https://go.drugbank.com/drugs/DB03904,
DBoRL63,Copper phenanthroline,,C1=C[N]2=C3C4=C(C=CC=[N]4[Cu+]22[N]4=C5C6=[N]2C=CC=C6C=CC5=CC=C4)C=CC3=C1,InChI=1S/2C12H8N2.Cu/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h2*1-8H;/q;;+1,ZEADRBDFSWYVGV-UHFFFAOYSA-N,C24H16CuN4,17378-82-4,423.965,,0,0,0,8,t-RNA ,Copper phenanthroline prefer to binds with single-stranded loops of tRNA.,2668879,,,,,,"Murakawa GJ, Chen CH, Kuwabara MD, Nierlich DP, Sigman DS. Scission of RNA by the chemical nuclease of 1,10-phenanthroline-copper ion: preference for single-stranded loops. Nucleic Acids Res. 1989 Jul 11;17(13):5361-75. doi: 10.1093/nar/17.13.5361. PMID: 2668879; PMCID: PMC318116.",,,,,,https://pubmed.ncbi.nlm.nih.gov/2668879/,,,,,,Not Found,No,No,,,,
DBoRL64,Amino purine,"2-(2-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",Nc1ncc2ncn(C3OC(CO)C(O)C3O)c2n1,"InChI=1/C10H13N5O4/c11-10-12-1-4-8(14-10)15(3-13-4)9-7(18)6(17)5(2-16)19-9/h1,3,5-7,9,16-18H,2H2,(H2,11,12,14)",JVOJULURLCZUDE-UHFFFAOYNA-N,C10H13N5O4,Not Found,267.245,-2.00663538,4,8,2,3,Tetrahymena Group I intron,Amino purine binds to highly specific binding site (where substrate guanosine bind) of Tetrahymena self-splicing group I intron and inhibits the binding of guanosine at that site. ,2685606,,,,,,"Michel F, Hanna M, Green R, Bartel DP, Szostak JW. The guanosine binding site of the Tetrahymena ribozyme. Nature. 1989 Nov 23;342(6248):391-5. doi: 10.1038/342391a0. PMID: 2685606.",,,,,,https://pubmed.ncbi.nlm.nih.gov/2685606/,,,,,,235489,No,No,,,,
DBoRL65,Guanidine-acetic acid,2-carbamimidamidoacetic acid,N=C(N)NCC(=O)O,"InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)",BPMFZUMJYQTVII-UHFFFAOYSA-N,C3H7N3O2,352-97-6,117.108,-3.126205589,4,5,2,0,IVS of Tetrahymena ,Guanidine-acetic acid competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,3381099,,,,,,Yarus M. A specific amino acid binding site composed of RNA. Science. 1988 Jun 24;240(4860):1751-8. doi: 10.1126/science.3381099. PMID: 3381099.,,,,,,https://pubmed.ncbi.nlm.nih.gov/3381099/,,,,,,763,No,No,,,,
DBoRL66,L-alpha -OH -Arginine,5-{[amino(iminiumyl)methyl]amino}-2-hydroxypentanoate,NC(=[NH2+])NCCCC(O)C(=O)[O-],"InChI=1/C6H13N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h4,10H,1-3H2,(H,11,12)(H4,7,8,9)",BMFMQGXDDJALKQ-UHFFFAOYNA-N,C6H13N3O3,Not Found,175.188,-3.027027522,4,5,5,0,IVS of Tetrahymena ,L-alpha-OH-Arginine competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,3381099,,,,,,Yarus M. A specific amino acid binding site composed of RNA. Science. 1988 Jun 24;240(4860):1751-8. doi: 10.1126/science.3381099. PMID: 3381099.,,,,,,https://pubmed.ncbi.nlm.nih.gov/3381099/,,,,,,239955,No,No,,,,
DBoRL67,L-Leucyl -L-Arginine,2-(2-amino-4-methylpentanamido)-5-carbamimidamidopentanoic acid,CC(C)CC(N)C(=O)NC(CCCNC(=N)N)C(=O)O,"InChI=1/C12H25N5O3/c1-7(2)6-8(13)10(18)17-9(11(19)20)4-3-5-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)",SENJXOPIZNYLHU-UHFFFAOYNA-N,C12H25N5O3,Not Found,287.364,-2.430436584,6,7,9,0,IVS of Tetrahymena ,L-alpha-OH-Arginine competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,3381099,,,,,,Yarus M. A specific amino acid binding site composed of RNA. Science. 1988 Jun 24;240(4860):1751-8. doi: 10.1126/science.3381099. PMID: 3381099.,,,,,,https://pubmed.ncbi.nlm.nih.gov/3381099/,,,,,,3800205,No,No,,,,
DBoRL68,L-arginine amide ,{amino[(4-azaniumyl-5-ethoxy-5-oxopentyl)amino]methylidene}azanium,CCOC(=O)C([NH3+])CCCNC(N)=[NH2+],"InChI=1/C8H18N4O2/c1-2-14-7(13)6(9)4-3-5-12-8(10)11/h6H,2-5,9H2,1H3,(H4,10,11,12)/p+2",AKGWUHIOEVNNPC-UHFFFAOYNA-P,C8H20N4O2,Not Found,204.273,-0.986249408,4,3,7,0,IVS of Tetrahymena ,L-arginine amide competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,3381099,,,,,,Yarus M. A specific amino acid binding site composed of RNA. Science. 1988 Jun 24;240(4860):1751-8. doi: 10.1126/science.3381099. PMID: 3381099.,,,,,,https://pubmed.ncbi.nlm.nih.gov/3381099/,,,,,,78435473,No,No,,,,
DBoRL69,L-arginine_ethyl ester,ethyl 2-amino-5-carbamimidamidopentanoate,CCOC(=O)C(N)CCCNC(=N)N,"InChI=1/C8H18N4O2/c1-2-14-7(13)6(9)4-3-5-12-8(10)11/h6H,2-5,9H2,1H3,(H4,10,11,12)",AKGWUHIOEVNNPC-UHFFFAOYNA-N,C8H18N4O2,Not Found,202.258,-0.986249408,4,5,7,0,IVS of Tetrahymena ,L-arginine ethyl ester competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,3381099,,,,,,Yarus M. A specific amino acid binding site composed of RNA. Science. 1988 Jun 24;240(4860):1751-8. doi: 10.1126/science.3381099. PMID: 3381099.,,,,,,https://pubmed.ncbi.nlm.nih.gov/3381099/,,,,,,4650467,No,No,,,,
DBoRL70,L-arginine_methyl ester,methyl 2-amino-5-carbamimidamidopentanoate,COC(=O)C(N)CCCNC(=N)N,"InChI=1/C7H16N4O2/c1-13-6(12)5(8)3-2-4-11-7(9)10/h5H,2-4,8H2,1H3,(H4,9,10,11)",ZDLDXNCMJBOYJV-UHFFFAOYNA-N,C7H16N4O2,Not Found,188.231,-1.343057363,4,5,6,0,IVS of Tetrahymena ,L-arginine methyl ester competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,3381099,,,,,,Yarus M. A specific amino acid binding site composed of RNA. Science. 1988 Jun 24;240(4860):1751-8. doi: 10.1126/science.3381099. PMID: 3381099.,,,,,,https://pubmed.ncbi.nlm.nih.gov/3381099/,,,,,,550788,No,No,,,,
DBoRL71,L-argininyl -L-Leucine,2-(2-amino-5-carbamimidamidopentanamido)-4-methylpentanoic acid,CC(C)CC(NC(=O)C(N)CCCNC(=N)N)C(=O)O,"InChI=1/C12H25N5O3/c1-7(2)6-9(11(19)20)17-10(18)8(13)4-3-5-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)",WYBVBIHNJWOLCJ-UHFFFAOYNA-N,C12H25N5O3,Not Found,287.364,-2.425221514,6,7,9,0,IVS of Tetrahymena ,L-argininyl-L-Leucine competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,3381099,,,,,,Yarus M. A specific amino acid binding site composed of RNA. Science. 1988 Jun 24;240(4860):1751-8. doi: 10.1126/science.3381099. PMID: 3381099.,,,,,,https://pubmed.ncbi.nlm.nih.gov/3381099/,,,,,,333445,No,No,,,,
DBoRL72,Porphyrin,"21,22,23,24-tetraazapentacyclo[16.2.1.1?,?.1?,??.1??,??]tetracosa-1,3,5,7,9,11,13(22),14,16,18(21),19-undecaene",C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3,"InChI=1S/C20H14N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-12,21-22H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-",JZRYQZJSTWVBBD-CEVVSZFKSA-N,C20H14N4,Not Found,310.36,4.632079222,2,2,0,5,Yeast t-RNA (Phe),Porphyrin is associating at a single site in a fold of the tertiary structure of the tRNA(Phe) close to several crucial hydrogen bonds in the vicinity of the P10 loop.,3382660,,,,,,"Foster N, Singhal AK, Smith MW, Marcos NG, Schray KJ. Interactions of porphyrins and transfer RNA. Biochim Biophys Acta. 1988 Jul 13;950(2):118-31. doi: 10.1016/0167-4781(88)90004-8. PMID: 3382660.",,,,,,https://pubmed.ncbi.nlm.nih.gov/3382660/,,,,,,66868,Yes,No,Experimental,DB01710,https://go.drugbank.com/drugs/DB01710,
DBoRL73,TETRA[METHYL-PYRIDYL] PORPHYRIN Cu complex ,"1-methyl-4-[10,15,23-tris(1-methylpyridin-1-ium-4-yl)-20,22,24,25-tetraaza-21-cuprahexacyclo[17.3.1.1?,?.1??,??.0?,??.0??,??]pentacosa-1,3,5,7,9(25),12,14(24),15,17,19(23)-decaen-5-yl]pyridin-1-ium",C[n+]1ccc(C2=C3C=CC(=N3)C(c3cc[n+](C)cc3)C3C=CC(=N3)C(c3cc[n+](C)cc3)=c3ccc4n3[Cu]n3c2ccc3C=4c2cc[n+](C)cc2)cc1,"InChI=1/C44H38N8.Cu/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;/h5-28,33,41H,1-4H3;/q2*+2",CLJNPNDSUBWDGB-UHFFFAOYNA-N,C44H38CuN8,Not Found,742.388,-10.34089677,0,3,4,10,Yeast t-RNA (Phe),TETRA[METHYL-PYRIDYL] PORPHYRIN Cu complex  is associated with a single site in a fold of the tertiary structure of the tRNA(Phe) close to several crucial hydrogen bonds in the vicinity of the P10 loop.,3382660,,,,,,"Foster N, Singhal AK, Smith MW, Marcos NG, Schray KJ. Interactions of porphyrins and transfer RNA. Biochim Biophys Acta. 1988 Jul 13;950(2):118-31. doi: 10.1016/0167-4781(88)90004-8. PMID: 3382660.",,,,,,https://pubmed.ncbi.nlm.nih.gov/3382660/,,,,,,Not Found,No,No,,,,
DBoRL74,TETRA[METHYL-PYRIDYL] PORPHYRIN,"1-methyl-4-[7,12,17-tris(1-methylpyridin-1-ium-4-yl)-21,22,23,24-tetraazapentacyclo[16.2.1.1?,?.1?,??.1??,??]tetracosa-1,3,5,7,9,11,13(22),14,18(21),19-decaen-2-yl]pyridin-1-ium",C[n+]1ccc(C2=C3C=CC(=N3)C(c3cc[n+](C)cc3)C3C=CC(=N3)C(c3cc[n+](C)cc3)=c3ccc([nH]3)=C(c3cc[n+](C)cc3)c3ccc2[nH]3)cc1,"InChI=1/C44H39N8/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31/h5-28,33,41H,1-4H3,(H,46,47,48)/q+3/p+1",IRLNILUWMSKWKT-UHFFFAOYNA-O,C44H40N8,Not Found,680.858,-11.81857755,2,3,4,9,Yeast t-RNA (Phe),TETRA[METHYL-PYRIDYL] PORPHYRIN is associated with a single site in a fold of the tertiary structure of the tRNA(Phe) close to several crucial hydrogen bonds in the vicinity of the P10 loop.,3382660,,,,,,"Foster N, Singhal AK, Smith MW, Marcos NG, Schray KJ. Interactions of porphyrins and transfer RNA. Biochim Biophys Acta. 1988 Jul 13;950(2):118-31. doi: 10.1016/0167-4781(88)90004-8. PMID: 3382660.",,,,,,https://pubmed.ncbi.nlm.nih.gov/3382660/,,,,,,9852938,No,No,,,,
DBoRL75,Tetra[N-methyl-pyridyl] porphyrin-nickel,"1-methyl-4-[10,15,23-tris(1-methylpyridin-1-ium-4-yl)-20,22,24,25-tetraaza-21-zincahexacyclo[17.3.1.1?,?.1??,??.0?,??.0??,??]pentacosa-1,3,5,7,9(25),12,14(24),15,17,19(23)-decaen-5-yl]pyridin-1-ium",C[n+]1ccc(C2=C3C=CC(=N3)C(c3cc[n+](C)cc3)C3C=CC(=N3)C(c3cc[n+](C)cc3)=c3ccc4n3[Zn]n3c2ccc3C=4c2cc[n+](C)cc2)cc1,"InChI=1/C44H38N8.Zn/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;/h5-28,33,41H,1-4H3;/q2*+2",AYXYWXYFWQGBSP-UHFFFAOYNA-N,C44H38N8Zn,Not Found,744.22,-10.64089677,0,3,4,10,Yeast t-RNA (Phe),Tetra[N-methyl-pyridyl] porphyrin-nickel is associated with a single site in a fold of the tertiary structure of the tRNA(Phe) close to several crucial hydrogen bonds in the vicinity of the P10 loop.,3382660,,,,,,"Foster N, Singhal AK, Smith MW, Marcos NG, Schray KJ. Interactions of porphyrins and transfer RNA. Biochim Biophys Acta. 1988 Jul 13;950(2):118-31. doi: 10.1016/0167-4781(88)90004-8. PMID: 3382660.",,,,,,https://pubmed.ncbi.nlm.nih.gov/3382660/,,,,,,Not Found,No,No,,,,
DBoRL76,Deoxy-guanosine,"2-amino-9-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one",Nc1nc2c(ncn2C2OC(CO)CC2O)c(=O)[nH]1,"InChI=1/C10H13N5O4/c11-10-13-7-6(8(18)14-10)12-3-15(7)9-5(17)1-4(2-16)19-9/h3-5,9,16-17H,1-2H2,(H3,11,13,14,18)",OROIAVZITJBGSM-UHFFFAOYNA-N,C10H13N5O4,Not Found,267.245,-2.015923515,4,7,2,3,Tetrahymena Group I intron,Deoxy-guanosine is a ribozyme Inhibitor that competitively inhibit the self-splicing of the tetrahymena ribosomal ribonucleic acid precursor. ,3639741,,,,,,"Bass BL, Cech TR. Ribozyme inhibitors: deoxyguanosine and dideoxyguanosine are competitive inhibitors of self-splicing of the Tetrahymena ribosomal ribonucleic acid precursor. Biochemistry. 1986 Aug 12;25(16):4473-7. doi: 10.1021/bi00364a001. PMID: 3639741.",,,,,,https://pubmed.ncbi.nlm.nih.gov/3639741/,,,,,,135445713,Yes,No,Experimental,DB03609,https://go.drugbank.com/drugs/DB03609,
DBoRL77,Dideoxy- guanosine,"2-amino-9-[5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one",Nc1nc2c(ncn2C2CCC(CO)O2)c(=O)[nH]1,"InChI=1/C10H13N5O3/c11-10-13-8-7(9(17)14-10)12-4-15(8)6-2-1-5(3-16)18-6/h4-6,16H,1-3H2,(H3,11,13,14,17)",OCLZPNCLRLDXJC-UHFFFAOYNA-N,C10H13N5O3,Not Found,251.246,-1.096927368,3,6,2,3,Tetrahymena Group I intron,Deoxy-guanosine is a ribozyme Inhibitor that competitively inhibit the self-splicing of the tetrahymena ribosomal ribonucleic acid precursor. ,3639741,,,,,,"Bass BL, Cech TR. Ribozyme inhibitors: deoxyguanosine and dideoxyguanosine are competitive inhibitors of self-splicing of the Tetrahymena ribosomal ribonucleic acid precursor. Biochemistry. 1986 Aug 12;25(16):4473-7. doi: 10.1021/bi00364a001. PMID: 3639741.",,,,,,https://pubmed.ncbi.nlm.nih.gov/3639741/,,,,,,135406394,No,No,,,,
DBoRL78,Methidiumpropyl-EDTA(MPE),,C[N+]1=C(C2=CC=C(C=C2)C(=O)NCCCNC(=O)C[N]23CC[N]45CC(=O)O[Fe]24(OC(=O)C3)OC(=O)C5)C2=CC(N)=CC=C2C2=CC=C(N)C=C12,"InChI=1/C34H39N7O8.Fe/c1-39-28-16-24(36)8-10-26(28)25-9-7-23(35)15-27(25)33(39)21-3-5-22(6-4-21)34(49)38-12-2-11-37-29(42)17-40(18-30(43)44)13-14-41(19-31(45)46)20-32(47)48;/h3-10,15-16,36H,2,11-14,17-20H2,1H3,(H7,35,37,38,42,43,44,45,46,47,48,49);/q;+3/p-2",RWUDSHHIZQGODG-UHFFFAOYNA-L,C34H37FeN7O8,Not Found,727.555,,0,0,8,8,Yeast t-RNA,"Methidiumpropyl-EDTA-Iron(II)+, an affinity cleavage intercalator reagent, use to detect high-affinity intercalator sites in a ribosomal RNA fragment. The reagent binds to poly(A)-poly(U) with the same or slightly lower affinity as the related ethidium intercalator, selectively binds double-helical in preference to single-stranded RNA, and when complexed with Fe(II) readily cleaves the RNA backbone. The reagent binds to three or four helical locations in tRNAPhe with an affinity. With a 345-base RNA fragment covering the SS/Sl5 protein binding region of Escherichia coli 16s ribosomal RNA, MPE-Fe(II) intercalates strongly at two helical sites: one is located at or near a single base bulge and the other at the end of a helix.",3935157,,,,,,"Kean JM, White SA, Draper DE. Detection of high-affinity intercalator sites in a ribosomal RNA fragment by the affinity cleavage intercalator methidiumpropyl-EDTA-iron(II). Biochemistry. 1985 Sep 10;24(19):5062-70. doi: 10.1021/bi00340a016. PMID: 3935157.",,,,,,https://pubmed.ncbi.nlm.nih.gov/3935157/,,,,,,Not Found,No,No,,,,
DBoRL79,MPE-Zn(II),,C[N+]1=C(C2=CC=C(C=C2)C(=O)NCCCNC(=O)C[N]23CC[N]45CC(=O)O[Zn]24(OC(=O)C3)OC(=O)C5)C2=CC(N)=CC=C2C2=CC=C(N)C=C12,"InChI=1/C34H39N7O8.Zn/c1-39-28-16-24(36)8-10-26(28)25-9-7-23(35)15-27(25)33(39)21-3-5-22(6-4-21)34(49)38-12-2-11-37-29(42)17-40(18-30(43)44)13-14-41(19-31(45)46)20-32(47)48;/h3-10,15-16,36H,2,11-14,17-20H2,1H3,(H7,35,37,38,42,43,44,45,46,47,48,49);/q;+3/p-2",JLURUZKPHAIFDA-UHFFFAOYNA-L,C34H37N7O8Zn,Not Found,737.09,,0,0,8,8,RNA duplex (polyApolyU) ,"MPE-Zn(II), an affinity cleavage intercalator reagent, use to detect high-affinity intercalator sites in a ribosomal RNA fragment. The reagent binds to poly(A)-poly(U) with the same or slightly lower affinity as the related ethidium intercalator, selectively binds double-helical in preference to single-stranded RNA, and when complexed with Fe(II) readily cleaves the RNA backbone. The reagent binds to three or four helical locations in tRNAPhe with an affinity. With a 345-base RNA fragment covering the SS/Sl5 protein binding region of Escherichia coli 16s ribosomal RNA, MPE-Fe(II) intercalates strongly at two helical sites: one is located at or near a single base bulge and the other at the end of a helix.",3935157,,,,,,"Kean JM, White SA, Draper DE. Detection of high-affinity intercalator sites in a ribosomal RNA fragment by the affinity cleavage intercalator methidiumpropyl-EDTA-iron(II). Biochemistry. 1985 Sep 10;24(19):5062-70. doi: 10.1021/bi00340a016. PMID: 3935157.",,,,,,https://pubmed.ncbi.nlm.nih.gov/3935157/,,,,,,Not Found,No,No,,,,
DBoRL80,Chloramphenicol,"2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide",O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,"InChI=1/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)",WIIZWVCIJKGZOK-UHFFFAOYNA-N,C11H12Cl2N2O5,Not Found,323.13,0.878703488,3,5,6,1,50S Ribosomal Subunit,Chloramphenicol binds to ribosomes from bacteria chloroplast and blue-green algae at a site located on the 50-S subunit & interfere with the protein synthesis process.,4942548,,,,,,"Fernandez-Munoz R, Monro RE, Torres-Pinedo R, Vazquez D. Substrate- and antibiotic-binding sites at the peptidyl-transferase centre of Escherichia coli ribosomes. Studies on the chloramphenicol. lincomycin and erythromycin sites. Eur J Biochem. 1971 Nov 11;23(1):185-93. doi: 10.1111/j.1432-1033.1971.tb01607.x. PMID: 4942548.",,,,,,https://pubmed.ncbi.nlm.nih.gov/4942548/,,,,,,298,Yes,No,Vet_approved,DB00446,https://go.drugbank.com/drugs/DB00446,
DBoRL81,Cycloheximide,"4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]piperidine-2,6-dione",CC1CC(C)C(=O)C(C(O)CC2CC(=O)NC(=O)C2)C1,"InChI=1/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)",YPHMISFOHDHNIV-UHFFFAOYNA-N,C15H23NO4,Not Found,281.352,0.904765148,2,4,3,2,80S ribosomes,Cycloheximide is an antibiotic that bound to cytoplasmic (80S) ribosomes of the yeast Saccharomyces cerevisiae with an association constant. After bind with 80s ribosome the compound inhibits the translation exclusively on cytoplasmic (80S) ribosomes of eucaryotes.,7016025,,,,,,Binding of Cycloheximide to Ribosomes from Wild-Type and Mutant Strains of Saccharomyces cerevisiae. Antimicrob Agents Chemother. 1981;19(1):208.,,,,,,https://pubmed.ncbi.nlm.nih.gov/7016025/,,,,,,2900,No,No,,,,
DBoRL82,Cobinamide dicyanide,,C(N)(=O)CC1(C2=C(C3=[N]4C(C(C)(CC(N)=O)C3CCC(N)=O)(C)C3C(C(C5=C(C6=[N]7C(C(C)(C)C6CCC(N)=O)=CC(=[N]2[Co]47(C#N)(C#N)N35)C1CCC(N)=O)C)(C)CCC(=O)NCC(C)O)CC(N)=O)C)C,"InChI=1/C48H72N11O8.2CN.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;2*1-2;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H2,49,61)(H2,50,62)(H2,51,63)(H2,52,64)(H2,53,65)(H2,54,66)(H,55,67);;;/q-1;;;+1/b41-24-;;;",XPTZCGWMBRGPEW-WQRTXWPDNA-N,C50H72CoN13O8,Not Found,1042.14,,0,0,20,8,Aptamer,RNA aptamer has the ability to binds with cobinamide dicyanide. ,7508262,,,,,,"Lorsch JR, Szostak JW. In vitro selection of RNA aptamers specific for cyanocobalamin. Biochemistry. 1994 Feb 1;33(4):973-82. doi: 10.1021/bi00170a016. PMID: 7508262.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7508262/,,,,,,Not Found,No,No,,,,
DBoRL83,Cyanocobalamine,"cobalt(3+) (1R,2R,3S,4S,6Z,8S,9S,11Z,14S,16Z,18R,19R)-4,9,14-tris(2-carbamoylethyl)-3,8,19-tris(carbamoylmethyl)-18-(2-{[(2R)-2-[({[(2S,3R,4R,5S)-5-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]propyl]carbamoyl}ethyl)-2,3,6,8,13,13,16,18-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1?,?.1?,??.1??,??]tricosa-5(23),6,10(22),11,15(21),16-hexaen-20-ide iminomethanide",[Co+3].[C-]#N.C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2[N-]\C1=C(C)/C1=N/C(=C\C3=N\C(=C(C)/C4=N[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)\[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)/C(C)(C)[C@@H]1CCC(N)=O)OP(O)(=O)O[C@H]1[C@H](CO)O[C@@H]([C@@H]1O)N1C=NC2=CC(C)=C(C)C=C12,"InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-1/t31-,34-,35-,36-,37+,41+,52-,53+,56-,57+,59-,60+,61+,62+;;/m1../s1",FDJOLVPMNUYSCM-IXDQCSSHSA-M,C63H89CoN14O14P,Not Found,1356.4,-2.694832903,10,17,26,8,Aptamer,RNA aptamer has the ability to binds with Cyanocobalamine. ,7508262,,,,,,"Lorsch JR, Szostak JW. In vitro selection of RNA aptamers specific for cyanocobalamin. Biochemistry. 1994 Feb 1;33(4):973-82. doi: 10.1021/bi00170a016. PMID: 7508262.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7508262/,,,,,,57418127,Yes,Yes,Nutraceutical,DB00115,https://go.drugbank.com/drugs/DB00115,
DBoRL84,Phenylquinoline derivative 1,N-[2-(dimethylamino)ethyl]-2-phenylquinolin-4-amine,CN(C)CCNc1cc(-c2ccccc2)nc2ccccc12,"InChI=1S/C19H21N3/c1-22(2)13-12-20-19-14-18(15-8-4-3-5-9-15)21-17-11-7-6-10-16(17)19/h3-11,14H,12-13H2,1-2H3,(H,20,21)",QWAVSGXBYFASKZ-UHFFFAOYSA-N,C19H21N3,"148726-12-9,133671-43-9",291.398,3.655398809,1,3,5,3,RNA duplex (polyApolyU),"Phenylquinoline derivative 1, a intercalating agent that intercalates with poly( A) poly (U) of RNA duplex.",7509202,,,,,,"Zhao M, Janda L, Nguyen J, Strekowski L, Wilson WD. The interaction of substituted 2-phenylquinoline intercalators with poly(A).poly(U): classical and threading intercalation modes with RNA. Biopolymers. 1994 Jan;34(1):61-73. doi: 10.1002/bip.360340108. PMID: 7509202.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7509202/,,,,,,453048,No,No,,,,
DBoRL85,Phenylquinoline derivative 2,"2-[2,3,4-tris(4-methylpiperazin-1-yl)phenyl]quinoline",CN1CCN(c2ccc(-c3ccc4ccccc4n3)c(N3CCN(C)CC3)c2N2CCN(C)CC2)CC1,"InChI=1S/C30H41N7/c1-32-12-18-35(19-13-32)28-11-9-25(27-10-8-24-6-4-5-7-26(24)31-27)29(36-20-14-33(2)15-21-36)30(28)37-22-16-34(3)17-23-37/h4-11H,12-23H2,1-3H3",FLQBQEOURQFIQV-UHFFFAOYSA-N,C30H41N7,Not Found,499.707,4.029466472,0,7,4,6,RNA duplex (polyApolyU),"Phenylquinoline derivative 2, a intercalating agent that intercalates with poly( A) poly (U) of RNA duplex.",7509202,,,,,,"Zhao M, Janda L, Nguyen J, Strekowski L, Wilson WD. The interaction of substituted 2-phenylquinoline intercalators with poly(A).poly(U): classical and threading intercalation modes with RNA. Biopolymers. 1994 Jan;34(1):61-73. doi: 10.1002/bip.360340108. PMID: 7509202.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7509202/,,,,,,Not Found,No,No,,,,
DBoRL86,Phenylquinoline derivative 3 ,"N-[2-(dimethylamino)ethyl]-2-[2,3,4-tris(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine",CN(C)CCNc1cc(-c2ccc(N3CCN(C)CC3)c(N3CCN(C)CC3)c2N2CCN(C)CC2)nc2ccccc12,"InChI=1S/C34H51N9/c1-37(2)13-12-35-30-26-31(36-29-9-7-6-8-27(29)30)28-10-11-32(41-20-14-38(3)15-21-41)34(43-24-18-40(5)19-25-43)33(28)42-22-16-39(4)17-23-42/h6-11,26H,12-25H2,1-5H3,(H,35,36)",YJBQFUBQJXMLLH-UHFFFAOYSA-N,C34H51N9,Not Found,585.845,3.520889122,1,9,8,6,RNA duplex (polyApolyU),"Phenylquinoline derivative 3, a intercalating agent that intercalates with poly( A) poly (U) of RNA duplex.",7509202,,,,,,"Zhao M, Janda L, Nguyen J, Strekowski L, Wilson WD. The interaction of substituted 2-phenylquinoline intercalators with poly(A).poly(U): classical and threading intercalation modes with RNA. Biopolymers. 1994 Jan;34(1):61-73. doi: 10.1002/bip.360340108. PMID: 7509202.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7509202/,,,,,,Not Found,No,No,,,,
DBoRL87,"1,3-Dimethyluric acid","1,3-dimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione",Cn1c(=O)c2[nH]c(=O)[nH]c2n(C)c1=O,"InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13)",OTSBKHHWSQYEHK-UHFFFAOYSA-N,C7H8N4O3,944-73-0,196.166,-1.096840804,2,3,0,2,Aptamer,"RNA aptamer binds with 1,3-Dimethyluric acid with high specificity. Due to binding a conformational change is introduced into RNA structure.",7510417,,,,,,"Jenison RD, Gill SC, Pardi A, Polisky B. High-resolution molecular discrimination by RNA. Science. 1994 Mar 11;263(5152):1425-9. doi: 10.1126/science.7510417. PMID: 7510417.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7510417/,,,,,,70346,No,No,,,,
DBoRL88,1-Methylxanthine,"1-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione",Cn1c(=O)[nH]c2nc[nH]c2c1=O,"InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)",MVOYJPOZRLFTCP-UHFFFAOYSA-N,C6H6N4O2,6136-37-4,166.14,0.016612274,2,3,0,2,Aptamer,RNA aptamer binds with 1-Methylxanthine with high specificity. Due to binding a conformational change is introduced into RNA structure.,7510417,,,,,,"Jenison RD, Gill SC, Pardi A, Polisky B. High-resolution molecular discrimination by RNA. Science. 1994 Mar 11;263(5152):1425-9. doi: 10.1126/science.7510417. PMID: 7510417.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7510417/,,,,,,80220,No,No,,,,
DBoRL89,3-Methylxanthine,"3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione",Cn1c(=O)[nH]c(=O)c2[nH]cnc21,"InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)",GMSNIKWWOQHZGF-UHFFFAOYSA-N,C6H6N4O2,1076-22-8,166.14,-0.992997723,2,3,0,2,Aptamer,RNA aptamer binds with 3-Methylxanthine with high specificity. Due to binding a conformational change is introduced into RNA structure.,7510417,,,,,,"Jenison RD, Gill SC, Pardi A, Polisky B. High-resolution molecular discrimination by RNA. Science. 1994 Mar 11;263(5152):1425-9. doi: 10.1126/science.7510417. PMID: 7510417.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7510417/,,,,,,70639,No,No,,,,
DBoRL90,7-Methylxanthine,"7-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione",Cn1cnc2[nH]c(=O)[nH]c(=O)c21,"InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)",PFWLFWPASULGAN-UHFFFAOYSA-N,C6H6N4O2,552-62-5,166.14,0.016612274,2,3,0,2,Aptamer,RNA aptamer binds with 7-Methylxanthine with high specificity. Due to binding a conformational change is introduced into RNA structure.,7510417,,,,,,"Jenison RD, Gill SC, Pardi A, Polisky B. High-resolution molecular discrimination by RNA. Science. 1994 Mar 11;263(5152):1425-9. doi: 10.1126/science.7510417. PMID: 7510417.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7510417/,,,,,,68374,No,No,,,,
DBoRL91,CP-theophylline,"3-(3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)propanoic acid",Cn1c(=O)n(CCC(=O)O)c(=O)c2[nH]cnc21,"InChI=1S/C9H10N4O4/c1-12-7-6(10-4-11-7)8(16)13(9(12)17)3-2-5(14)15/h4H,2-3H2,1H3,(H,10,11)(H,14,15)",POOCYGOJOAWODV-UHFFFAOYSA-N,C9H10N4O4,155266-44-7,238.203,-1.054325613,2,5,3,2,Aptamer,RNA aptamer binds with CP-theophylline with high specificity. Due to binding a conformational change is introduced into RNA structure.,7510417,,,,,,"Jenison RD, Gill SC, Pardi A, Polisky B. High-resolution molecular discrimination by RNA. Science. 1994 Mar 11;263(5152):1425-9. doi: 10.1126/science.7510417. PMID: 7510417.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7510417/,,,,,,20474649,No,No,,,,
DBoRL92,Theobromine,"3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione",Cn1cnc2c1c(=O)[nH]c(=O)n2C,"InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)",YAPQBXQYLJRXSA-UHFFFAOYSA-N,C7H8N4O2,"83-67-0,519-41-5",180.167,-0.769321657,1,3,0,2,Aptamer,RNA aptamer binds with Theobromine with high specificity. Due to binding a conformational change is introduced into RNA structure.,7510417,,,,,,"Jenison RD, Gill SC, Pardi A, Polisky B. High-resolution molecular discrimination by RNA. Science. 1994 Mar 11;263(5152):1425-9. doi: 10.1126/science.7510417. PMID: 7510417.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7510417/,,,,,,5429,Yes,No,Investigational,DB01412,https://go.drugbank.com/drugs/DB01412,
DBoRL93,Xanthine,"2,3,6,7-tetrahydro-1H-purine-2,6-dione",O=c1[nH]c(=O)c2[nH]cnc2[nH]1,"InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)",LRFVTYWOQMYALW-UHFFFAOYSA-N,C5H4N4O2,"69-89-6,1262670-81-4,173793-02-7,173793-03-8,173793-05-0,173793-06-1,173793-08-3,51953-16-3,51953-25-4,51953-27-6",152.113,-0.207063792,3,3,0,2,Aptamer,RNA aptamer binds with Xanthine with high specificity. Due to binding a conformational change is introduced into RNA structure.,7510417,,,,,,"Jenison RD, Gill SC, Pardi A, Polisky B. High-resolution molecular discrimination by RNA. Science. 1994 Mar 11;263(5152):1425-9. doi: 10.1126/science.7510417. PMID: 7510417.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7510417/,,,,,,1188,Yes,No,Experimental,DB02134,https://go.drugbank.com/drugs/DB02134,
DBoRL94,Polycationic derivative 1,1-({4-[(4-hydroxypiperidin-1-yl)methyl]phenyl}methyl)piperidin-4-ol,OC1CCN(Cc2ccc(CN3CCC(O)CC3)cc2)CC1,"InChI=1S/C18H28N2O2/c21-17-5-9-19(10-6-17)13-15-1-2-16(4-3-15)14-20-11-7-18(22)8-12-20/h1-4,17-18,21-22H,5-14H2",SENQBZROPDCLAX-UHFFFAOYSA-N,C18H28N2O2,Not Found,304.434,0.492158535,2,4,4,3,RNA duplex (polyApolyU),Polycationic derivative 1 binds in the major groove of RNA duplex (polyApolyU) via specific electrostatic and/or hydrogen-bonded interactions & show the antiviral property. ,7513027,,,,,,"McConnaughie AW, Spychala J, Zhao M, Boykin D, Wilson WD. Design and synthesis of RNA-specific groove-binding cations: implications for antiviral drug design. J Med Chem. 1994 Apr 15;37(8):1063-9. doi: 10.1021/jm00034a004. PMID: 7513027.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7513027/,,,,,,455450,No,No,,,,
DBoRL95,Polycationic derivative 10,"1'-(3-{[1,4'-bipiperidin]-1'-yl}propyl)-1,4'-bipiperidine",C1CCN(C2CCN(CCCN3CCC(N4CCCCC4)CC3)CC2)CC1,"InChI=1S/C23H44N4/c1-3-14-26(15-4-1)22-8-18-24(19-9-22)12-7-13-25-20-10-23(11-21-25)27-16-5-2-6-17-27/h22-23H,1-21H2",OSYJPZZXFMVTKI-UHFFFAOYSA-N,C23H44N4,Not Found,376.633,2.023118244,0,4,6,4,RNA duplex (polyApolyU),Polycationic derivative 10 binds in the major groove of RNA duplex (polyApolyU) via specific electrostatic and/or hydrogen-bonded interactions & show the antiviral property. ,7513027,,,,,,"McConnaughie AW, Spychala J, Zhao M, Boykin D, Wilson WD. Design and synthesis of RNA-specific groove-binding cations: implications for antiviral drug design. J Med Chem. 1994 Apr 15;37(8):1063-9. doi: 10.1021/jm00034a004. PMID: 7513027.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7513027/,,,,,,455458,Yes,No,Experimental,DB03056,https://go.drugbank.com/drugs/DB03056,This is the isomeric form of the drug approved by USFDA.
DBoRL96,Polycationic derivative 11,1-benzyl-4-[3-(4-benzylpiperazin-1-yl)propyl]piperazine,c1ccc(CN2CCN(CCCN3CCN(Cc4ccccc4)CC3)CC2)cc1,"InChI=1S/C25H36N4/c1-3-8-24(9-4-1)22-28-18-14-26(15-19-28)12-7-13-27-16-20-29(21-17-27)23-25-10-5-2-6-11-25/h1-6,8-11H,7,12-23H2",KLMPDULPLRUXMT-UHFFFAOYSA-N,C25H36N4,Not Found,392.591,3.41195912,0,4,8,4,RNA duplex (polyApolyU),Polycationic derivative 11 binds in the major groove of RNA duplex (polyApolyU) via specific electrostatic and/or hydrogen-bonded interactions & show the antiviral property. ,7513027,,,,,,"McConnaughie AW, Spychala J, Zhao M, Boykin D, Wilson WD. Design and synthesis of RNA-specific groove-binding cations: implications for antiviral drug design. J Med Chem. 1994 Apr 15;37(8):1063-9. doi: 10.1021/jm00034a004. PMID: 7513027.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7513027/,,,,,,455459,No,No,,,,
DBoRL97,Polycationic derivative 12,1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]piperazine,CN1CCN(CCCN2CCN(C)CC2)CC1,"InChI=1S/C13H28N4/c1-14-6-10-16(11-7-14)4-3-5-17-12-8-15(2)9-13-17/h3-13H2,1-2H3",ACSBRIVFKZTIIB-UHFFFAOYSA-N,C13H28N4,Not Found,240.395,-0.036987115,0,4,4,2,RNA duplex (polyApolyU),Polycationic derivative 12 binds in the major groove of RNA duplex (polyApolyU) via specific electrostatic and/or hydrogen-bonded interactions & show the antiviral property. ,7513027,,,,,,"McConnaughie AW, Spychala J, Zhao M, Boykin D, Wilson WD. Design and synthesis of RNA-specific groove-binding cations: implications for antiviral drug design. J Med Chem. 1994 Apr 15;37(8):1063-9. doi: 10.1021/jm00034a004. PMID: 7513027.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7513027/,,,,,,455460,No,No,,,,
DBoRL98,Polycationic derivative 13,(1-{3-[3-(hydroxymethyl)piperidin-1-yl]propyl}piperidin-3-yl)methanol,OCC1CCCN(CCCN2CCCC(CO)C2)C1,"InChI=1/C15H30N2O2/c18-12-14-4-1-6-16(10-14)8-3-9-17-7-2-5-15(11-17)13-19/h14-15,18-19H,1-13H2",YAQUENFXTRLLFI-UHFFFAOYNA-N,C15H30N2O2,Not Found,270.417,-0.090792136,2,4,6,2,RNA duplex (polyApolyU),Polycationic derivative 13 binds in the major groove of RNA duplex (polyApolyU) via specific electrostatic and/or hydrogen-bonded interactions & show the antiviral property. ,7513027,,,,,,"McConnaughie AW, Spychala J, Zhao M, Boykin D, Wilson WD. Design and synthesis of RNA-specific groove-binding cations: implications for antiviral drug design. J Med Chem. 1994 Apr 15;37(8):1063-9. doi: 10.1021/jm00034a004. PMID: 7513027.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7513027/,,,,,,455461,No,No,,,,
DBoRL99,Polycationic derivative 14,(1-{3-[4-(hydroxymethyl)piperidin-1-yl]propyl}piperidin-4-yl)methanol,OCC1CCN(CCCN2CCC(CO)CC2)CC1,"InChI=1S/C15H30N2O2/c18-12-14-2-8-16(9-3-14)6-1-7-17-10-4-15(13-19)5-11-17/h14-15,18-19H,1-13H2",CJISMRFTHCUHIM-UHFFFAOYSA-N,C15H30N2O2,Not Found,270.417,-0.17390559,2,4,6,2,RNA duplex (polyApolyU),Polycationic derivative 14 binds in the major groove of RNA duplex (polyApolyU) via specific electrostatic and/or hydrogen-bonded interactions & show the antiviral property. ,7513027,,,,,,"McConnaughie AW, Spychala J, Zhao M, Boykin D, Wilson WD. Design and synthesis of RNA-specific groove-binding cations: implications for antiviral drug design. J Med Chem. 1994 Apr 15;37(8):1063-9. doi: 10.1021/jm00034a004. PMID: 7513027.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7513027/,,,,,,455462,No,No,,,,
DBoRL100,Polycationic derivative 15,"4-(4,5-dihydro-1H-imidazol-2-yl)-1-{3-[4-(4,5-dihydro-1H-imidazol-2-yl)piperidin-1-yl]propyl}piperidine",C(CN1CCC(C2=NCCN2)CC1)CN1CCC(C2=NCCN2)CC1,"InChI=1S/C19H34N6/c1(10-24-12-2-16(3-13-24)18-20-6-7-21-18)11-25-14-4-17(5-15-25)19-22-8-9-23-19/h16-17H,1-15H2,(H,20,21)(H,22,23)",GMPAVAQLPAUNDU-UHFFFAOYSA-N,C19H34N6,Not Found,346.523,-0.399712808,2,6,6,4,RNA duplex (polyApolyU),Polycationic derivative 15 binds in the major groove of RNA duplex (polyApolyU) via specific electrostatic and/or hydrogen-bonded interactions & show the antiviral property. ,7513027,,,,,,"McConnaughie AW, Spychala J, Zhao M, Boykin D, Wilson WD. Design and synthesis of RNA-specific groove-binding cations: implications for antiviral drug design. J Med Chem. 1994 Apr 15;37(8):1063-9. doi: 10.1021/jm00034a004. PMID: 7513027.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7513027/,,,,,,455463,No,No,,,,
DBoRL101,Polycationic derivative 16,"1,4-bis({4-[(piperazin-1-yl)methyl]phenyl}methyl)piperazine",c1cc(CN2CCN(Cc3ccc(CN4CCNCC4)cc3)CC2)ccc1CN1CCNCC1,"InChI=1S/C28H42N6/c1-5-27(6-2-25(1)21-31-13-9-29-10-14-31)23-33-17-19-34(20-18-33)24-28-7-3-26(4-8-28)22-32-15-11-30-12-16-32/h1-8,29-30H,9-24H2",PQCXGIXSKCFGJU-UHFFFAOYSA-N,C28H42N6,Not Found,462.686,2.297172097,2,6,8,5,RNA duplex (polyApolyU),Polycationic derivative 16 binds in the major groove of RNA duplex (polyApolyU) via specific electrostatic and/or hydrogen-bonded interactions & show the antiviral property. ,7513027,,,,,,"McConnaughie AW, Spychala J, Zhao M, Boykin D, Wilson WD. Design and synthesis of RNA-specific groove-binding cations: implications for antiviral drug design. J Med Chem. 1994 Apr 15;37(8):1063-9. doi: 10.1021/jm00034a004. PMID: 7513027.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7513027/,,,,,,455464,No,No,,,,
DBoRL102,Polycationic derivative 17,4-[3-(piperidin-4-yl)propyl]piperidine,C(CC1CCNCC1)CC1CCNCC1,"InChI=1S/C13H26N2/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13/h12-15H,1-11H2",OXEZLYIDQPBCBB-UHFFFAOYSA-N,C13H26N2,16898-52-5,210.365,1.869856275,2,2,4,2,RNA duplex (polyApolyU),Polycationic derivative 17 binds in the major groove of RNA duplex (polyApolyU) via specific electrostatic and/or hydrogen-bonded interactions & show the antiviral property. ,7513027,,,,,,"McConnaughie AW, Spychala J, Zhao M, Boykin D, Wilson WD. Design and synthesis of RNA-specific groove-binding cations: implications for antiviral drug design. J Med Chem. 1994 Apr 15;37(8):1063-9. doi: 10.1021/jm00034a004. PMID: 7513027.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7513027/,,,,,,85631,No,No,,,,
DBoRL103,Polycationic derivative 18,"1,4-bis[2-(piperidin-1-yl)ethyl]piperazine",C1CCN(CCN2CCN(CCN3CCCCC3)CC2)CC1,InChI=1S/C18H36N4/c1-3-7-19(8-4-1)11-13-21-15-17-22(18-16-21)14-12-20-9-5-2-6-10-20/h1-18H2,GXVAJKPDBLJVRM-UHFFFAOYSA-N,C18H36N4,22746-11-8,308.514,1.775310353,0,4,6,3,RNA duplex (polyApolyU),Polycationic derivative 18 binds in the major groove of RNA duplex (polyApolyU) via specific electrostatic and/or hydrogen-bonded interactions & show the antiviral property. ,7513027,,,,,,"McConnaughie AW, Spychala J, Zhao M, Boykin D, Wilson WD. Design and synthesis of RNA-specific groove-binding cations: implications for antiviral drug design. J Med Chem. 1994 Apr 15;37(8):1063-9. doi: 10.1021/jm00034a004. PMID: 7513027.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7513027/,,,,,,211252,No,No,,,,
DBoRL104,Polycationic derivative 19,"1'-{2-[4-(2-{[1,4'-bipiperidin]-1'-yl}ethyl)piperazin-1-yl]ethyl}-1,4'-bipiperidine",C1CCN(C2CCN(CCN3CCN(CCN4CCC(N5CCCCC5)CC4)CC3)CC2)CC1,"InChI=1S/C28H54N6/c1-3-11-33(12-4-1)27-7-15-29(16-8-27)19-21-31-23-25-32(26-24-31)22-20-30-17-9-28(10-18-30)34-13-5-2-6-14-34/h27-28H,1-26H2",VZYHHBWLQQTRIH-UHFFFAOYSA-N,C28H54N6,Not Found,474.782,1.828922607,0,6,8,5,RNA duplex (polyApolyU),Polycationic derivative 19 binds in the major groove of RNA duplex (polyApolyU) via specific electrostatic and/or hydrogen-bonded interactions & show the antiviral property. ,7513027,,,,,,"McConnaughie AW, Spychala J, Zhao M, Boykin D, Wilson WD. Design and synthesis of RNA-specific groove-binding cations: implications for antiviral drug design. J Med Chem. 1994 Apr 15;37(8):1063-9. doi: 10.1021/jm00034a004. PMID: 7513027.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7513027/,,,,,,455465,No,No,,,,
DBoRL105,Polycationic derivative 2,"1'-{[4-({[1,4'-bipiperidin]-1'-yl}methyl)phenyl]methyl}-1,4'-bipiperidine",c1cc(CN2CCC(N3CCCCC3)CC2)ccc1CN1CCC(N2CCCCC2)CC1,"InChI=1S/C28H46N4/c1-3-15-31(16-4-1)27-11-19-29(20-12-27)23-25-7-9-26(10-8-25)24-30-21-13-28(14-22-30)32-17-5-2-6-18-32/h7-10,27-28H,1-6,11-24H2",DQHQOPCRLVKVLZ-UHFFFAOYSA-N,C28H46N4,155791-72-3,438.704,3.610383867,0,4,6,5,RNA duplex (polyApolyU),Polycationic derivative 2 binds in the major groove of RNA duplex (polyApolyU) via specific electrostatic and/or hydrogen-bonded interactions & show the antiviral property. ,7513027,,,,,,"McConnaughie AW, Spychala J, Zhao M, Boykin D, Wilson WD. Design and synthesis of RNA-specific groove-binding cations: implications for antiviral drug design. J Med Chem. 1994 Apr 15;37(8):1063-9. doi: 10.1021/jm00034a004. PMID: 7513027.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7513027/,,,,,,455451,No,No,,,,
DBoRL106,Polycationic derivative 3,2-{4-[(4-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}phenyl)methyl]piperazin-1-yl}pyrimidine,c1cnc(N2CCN(Cc3ccc(CN4CCN(c5ncccn5)CC4)cc3)CC2)nc1,"InChI=1S/C24H30N8/c1-7-25-23(26-8-1)31-15-11-29(12-16-31)19-21-3-5-22(6-4-21)20-30-13-17-32(18-14-30)24-27-9-2-10-28-24/h1-10H,11-20H2",IWBGVRXSFQLUJR-UHFFFAOYSA-N,C24H30N8,Not Found,430.56,2.84307025,0,8,6,5,RNA duplex (polyApolyU),Polycationic derivative 3 binds in the major groove of RNA duplex (polyApolyU) via specific electrostatic and/or hydrogen-bonded interactions & show the antiviral property. ,7513027,,,,,,"McConnaughie AW, Spychala J, Zhao M, Boykin D, Wilson WD. Design and synthesis of RNA-specific groove-binding cations: implications for antiviral drug design. J Med Chem. 1994 Apr 15;37(8):1063-9. doi: 10.1021/jm00034a004. PMID: 7513027.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7513027/,,,,,,455452,No,No,,,,
DBoRL107,Polycationic derivative 4,"1'-{[3-({[1,4'-bipiperidin]-1'-yl}methyl)phenyl]methyl}-1,4'-bipiperidine",c1cc(CN2CCC(N3CCCCC3)CC2)cc(CN2CCC(N3CCCCC3)CC2)c1,"InChI=1S/C28H46N4/c1-3-14-31(15-4-1)27-10-18-29(19-11-27)23-25-8-7-9-26(22-25)24-30-20-12-28(13-21-30)32-16-5-2-6-17-32/h7-9,22,27-28H,1-6,10-21,23-24H2",RRRHINBVIYSRQH-UHFFFAOYSA-N,C28H46N4,Not Found,438.704,3.610383867,0,4,6,5,RNA duplex (polyApolyU),Polycationic derivative 4 binds in the major groove of RNA duplex (polyApolyU) via specific electrostatic and/or hydrogen-bonded interactions & show the antiviral property. ,7513027,,,,,,"McConnaughie AW, Spychala J, Zhao M, Boykin D, Wilson WD. Design and synthesis of RNA-specific groove-binding cations: implications for antiviral drug design. J Med Chem. 1994 Apr 15;37(8):1063-9. doi: 10.1021/jm00034a004. PMID: 7513027.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7513027/,,,,,,455453,No,No,,,,
DBoRL108,Polycationic derivative 5,2-{4-[(3-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}phenyl)methyl]piperazin-1-yl}pyrimidine,c1cnc(N2CCN(Cc3cccc(CN4CCN(c5ncccn5)CC4)c3)CC2)nc1,"InChI=1S/C24H30N8/c1-4-21(19-29-10-14-31(15-11-29)23-25-6-2-7-26-23)18-22(5-1)20-30-12-16-32(17-13-30)24-27-8-3-9-28-24/h1-9,18H,10-17,19-20H2",DKSGOJXSQQIVPA-UHFFFAOYSA-N,C24H30N8,Not Found,430.56,2.84307025,0,8,6,5,RNA duplex (polyApolyU),Polycationic derivative 5 binds in the major groove of RNA duplex (polyApolyU) via specific electrostatic and/or hydrogen-bonded interactions & show the antiviral property. ,7513027,,,,,,"McConnaughie AW, Spychala J, Zhao M, Boykin D, Wilson WD. Design and synthesis of RNA-specific groove-binding cations: implications for antiviral drug design. J Med Chem. 1994 Apr 15;37(8):1063-9. doi: 10.1021/jm00034a004. PMID: 7513027.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7513027/,,,,,,455454,No,No,,,,
DBoRL109,Polycationic derivative 7,"4-(4,5-dihydro-1H-imidazol-2-yl)-1-[(4-{[4-(4,5-dihydro-1H-imidazol-2-yl)piperidin-1-yl]methyl}phenyl)methyl]piperidine",c1cc(CN2CCC(C3=NCCN3)CC2)ccc1CN1CCC(C2=NCCN2)CC1,"InChI=1S/C24H36N6/c1-2-20(18-30-15-7-22(8-16-30)24-27-11-12-28-24)4-3-19(1)17-29-13-5-21(6-14-29)23-25-9-10-26-23/h1-4,21-22H,5-18H2,(H,25,26)(H,27,28)",UKKUBRYXXPBNCW-UHFFFAOYSA-N,C24H36N6,Not Found,408.594,1.187552815,2,6,6,5,RNA duplex (polyApolyU),Polycationic derivative 7 binds in the major groove of RNA duplex (polyApolyU) via specific electrostatic and/or hydrogen-bonded interactions & show the antiviral property. ,7513027,,,,,,"McConnaughie AW, Spychala J, Zhao M, Boykin D, Wilson WD. Design and synthesis of RNA-specific groove-binding cations: implications for antiviral drug design. J Med Chem. 1994 Apr 15;37(8):1063-9. doi: 10.1021/jm00034a004. PMID: 7513027.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7513027/,,,,,,455455,No,No,,,,
DBoRL110,Polycationic derivative 8,1-[3-(piperidin-1-yl)propyl]piperidine,C1CCN(CCCN2CCCCC2)CC1,InChI=1S/C13H26N2/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h1-13H2,AMBFNDRKYCJLNH-UHFFFAOYSA-N,C13H26N2,Not Found,210.365,1.96950599,0,2,4,2,RNA duplex (polyApolyU),Polycationic derivative 8 binds in the major groove of RNA duplex (polyApolyU) via specific electrostatic and/or hydrogen-bonded interactions & show the antiviral property. ,7513027,,,,,,"McConnaughie AW, Spychala J, Zhao M, Boykin D, Wilson WD. Design and synthesis of RNA-specific groove-binding cations: implications for antiviral drug design. J Med Chem. 1994 Apr 15;37(8):1063-9. doi: 10.1021/jm00034a004. PMID: 7513027.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7513027/,,,,,,455456,No,No,,,,
DBoRL111,Polycationic derivative 9,1-[3-(4-cyanopiperidin-1-yl)propyl]piperidine-4-carbonitrile,N#CC1CCN(CCCN2CCC(C#N)CC2)CC1,"InChI=1S/C15H24N4/c16-12-14-2-8-18(9-3-14)6-1-7-19-10-4-15(13-17)5-11-19/h14-15H,1-11H2",UDRBMONVVHHKBO-UHFFFAOYSA-N,C15H24N4,Not Found,260.385,0.53089275,0,4,4,2,RNA duplex (polyApolyU),Polycationic derivative 9 binds in the major groove of RNA duplex (polyApolyU) via specific electrostatic and/or hydrogen-bonded interactions & show the antiviral property. ,7513027,,,,,,"McConnaughie AW, Spychala J, Zhao M, Boykin D, Wilson WD. Design and synthesis of RNA-specific groove-binding cations: implications for antiviral drug design. J Med Chem. 1994 Apr 15;37(8):1063-9. doi: 10.1021/jm00034a004. PMID: 7513027.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7513027/,,,,,,455457,No,No,,,,
DBoRL112,polycationic_derivative 6,1-({4-[(piperazin-1-yl)methyl]phenyl}methyl)piperazine,c1cc(CN2CCNCC2)ccc1CN1CCNCC1,"InChI=1S/C16H26N4/c1-2-16(14-20-11-7-18-8-12-20)4-3-15(1)13-19-9-5-17-6-10-19/h1-4,17-18H,5-14H2",PEHAWOHQWSLLPV-UHFFFAOYSA-N,C16H26N4,25741-48-4,274.412,0.784182633,2,4,4,3,RNA duplex (polyApolyU),Polycationic_derivative 6 binds in the major groove of RNA duplex (polyApolyU) via specific electrostatic and/or hydrogen-bonded interactions & show the antiviral property. ,7513027,,,,,,"McConnaughie AW, Spychala J, Zhao M, Boykin D, Wilson WD. Design and synthesis of RNA-specific groove-binding cations: implications for antiviral drug design. J Med Chem. 1994 Apr 15;37(8):1063-9. doi: 10.1021/jm00034a004. PMID: 7513027.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7513027/,,,,,,135747,No,No,,,,
DBoRL113,Fe-bleomycin,,[H][C@](C)(NC(=O)[C@@]1([H])NC(=O)C2=NC3=[N]([Fe](N(C[C@H](N)C(N)=O)[C@H]3CC(N)=O)[N]3=CNC=C3[C@]1([H])OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(=O)NC)C1O)C([NH3+])=C2C)[C@@H](O)[C@H](C)C(=O)N[C@]([H])(C(=O)NCCC1=NC(=CS1)C1=NC(=CS1)C(=O)NCCC[S](C)C)[C@@]([H])(C)O,"InChI=1S/C56H85N17O21S3.Fe/c1-21-34(70-47(73-45(21)59)26(13-32(58)77)65-14-25(57)46(60)83)51(87)72-36(42(27-15-62-20-66-27)92-55-44(40(81)38(79)30(16-74)91-55)93-54-41(82)43(94-56(89)61-5)39(80)31(17-75)90-54)52(88)67-23(3)37(78)22(2)48(84)71-35(24(4)76)50(86)64-11-9-33-68-29(19-95-33)53-69-28(18-96-53)49(85)63-10-8-12-97(6)7;/h15,18-20,22-26,30-31,35-44,54-55,62,74-76,78-82H,8-14,16-17,57H2,1-7H3,(H2,58,77)(H2,59,70)(H2,60,83)(H,61,89)(H,63,85)(H,64,86)(H,67,88)(H,71,84)(H,72,87);/q-1;+1/p+1/t22-,23+,24+,25-,26-,30?,31?,35-,36-,37-,38?,39?,40?,41?,42-,43?,44?,54?,55?;/m0./s1",XIJHZQYNJFPSIK-HJBFCZFCSA-O,C56H86FeN17O21S3,Not Found,1485.43,,0,0,30,8,Ferritin mRNA,"Fe-bleomycin, a naturally occurring bioconjugate, binds with ferritin mRNA and degrade it.",7533003,,,,,,"Hecht SM. RNA degradation by bleomycin, a naturally occurring bioconjugate. Bioconjug Chem. 1994 Nov-Dec;5(6):513-26. doi: 10.1021/bc00030a006. PMID: 7533003.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7533003/,,,,,,Not Found,No,No,,,,
DBoRL114,Bleomycin,"(3-{[2-(2-{2-[2-(4-{2-[(6-amino-2-{1-[(2-amino-2-carbamoylethyl)amino]-2-carbamoylethyl}-5-methylpyrimidin-4-yl)formamido]-3-[(3-{[4-(carbamoyloxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-(1H-imidazol-5-yl)propanamido}-3-hydroxy-2-methylpentanamido)-3-hydroxybutanamido]ethyl}-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]formamido}propyl)dimethylsulfanium",Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1,"InChI=1/C55H83N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1",OYVAGSVQBOHSSS-UHFFFAOYNA-O,C55H84N17O21S3,Not Found,1415.55,-9.710222822,20,28,36,6,Yeast t-RNA (Phe),Bleomycin (metal-free) sequence-specifically binds with yeast tRNA(Phe) and induce hydrolysis of yeast tRNA(Phe).,7547941,,,,,,"Keck MV, Hecht SM. Sequence-specific hydrolysis of yeast tRNA(Phe) mediated by metal-free bleomycin. Biochemistry. 1995 Sep 19;34(37):12029-37. doi: 10.1021/bi00037a046. PMID: 7547941.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7547941/,,,,,,84068,Yes,Yes,Investigational,DB00290,https://go.drugbank.com/drugs/DB00290,
DBoRL115,Diphenylfuran derivative 1,"2-(4-{5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]furan-2-yl}phenyl)-4,5-dihydro-1H-imidazole",c1cc(-c2ccc(-c3ccc(C4=NCCN4)cc3)o2)ccc1C1=NCCN1,"InChI=1S/C22H20N4O/c1-5-17(21-23-11-12-24-21)6-2-15(1)19-9-10-20(27-19)16-3-7-18(8-4-16)22-25-13-14-26-22/h1-10H,11-14H2,(H,23,24)(H,25,26)",VOFBXZAWHLGYKW-UHFFFAOYSA-N,C22H20N4O,80498-71-1,356.429,2.748402299,2,4,4,5,RNA duplex (polyApolyU),Diphenylfuran derivative 1 effects on the binding affinity and the binding mode of RNA helical duplexes.,7582956,,,,,,"Zhao M, Ratmeyer L, Peloquin RG, Yao S, Kumar A, Spychala J, Boykin DW, Wilson WD. Small changes in cationic substituents of diphenylfuran derivatives have major effects on the binding affinity and the binding mode with RNA helical duplexes. Bioorg Med Chem. 1995 Jun;3(6):785-94. doi: 10.1016/0968-0896(95)00057-n. PMID: 7582956.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7582956/,,,,,,456460,No,No,,,,
DBoRL116,Diphenylfuran derivative 2,trimethyl[2-({4-[5-(4-{N-[2-(trimethylazaniumyl)ethyl]carbamimidoyl}phenyl)furan-2-yl]phenyl}methanimidamido)ethyl]azanium,C[N+](C)(C)CCNC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NCC[N+](C)(C)C)cc3)o2)cc1,"InChI=1S/C28H40N6O/c1-33(2,3)19-17-31-27(29)23-11-7-21(8-12-23)25-15-16-26(35-25)22-9-13-24(14-10-22)28(30)32-18-20-34(4,5)6/h7-16H,17-20H2,1-6H3,(H2,29,31)(H2,30,32)/q+2",DHRJMFQRSUVPTI-UHFFFAOYSA-N,C28H40N6O,Not Found,476.668,-5.643284134,4,4,10,3,RNA duplex (polyApolyU),Diphenylfuran derivative 2 effects on the binding affinity and the binding mode of RNA helical duplexes.,7582956,,,,,,"Zhao M, Ratmeyer L, Peloquin RG, Yao S, Kumar A, Spychala J, Boykin DW, Wilson WD. Small changes in cationic substituents of diphenylfuran derivatives have major effects on the binding affinity and the binding mode with RNA helical duplexes. Bioorg Med Chem. 1995 Jun;3(6):785-94. doi: 10.1016/0968-0896(95)00057-n. PMID: 7582956.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7582956/,,,,,,Not Found,No,No,,,,
DBoRL117,Diphenylfuran derivative 3,trimethyl[3-({4-[5-(4-{N-[3-(trimethylazaniumyl)propyl]carbamimidoyl}phenyl)furan-2-yl]phenyl}methanimidamido)propyl]azanium,C[N+](C)(C)CCCNC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NCCC[N+](C)(C)C)cc3)o2)cc1,"InChI=1S/C30H44N6O/c1-35(2,3)21-7-19-33-29(31)25-13-9-23(10-14-25)27-17-18-28(37-27)24-11-15-26(16-12-24)30(32)34-20-8-22-36(4,5)6/h9-18H,7-8,19-22H2,1-6H3,(H2,31,33)(H2,32,34)/q+2",DNWQOBWKCLKVQH-UHFFFAOYSA-N,C30H44N6O,Not Found,504.722,-5.523364656,4,4,12,3,RNA duplex (polyApolyU),Diphenylfuran derivative 3 effects on the binding affinity and the binding mode of RNA helical duplexes.,7582956,,,,,,"Zhao M, Ratmeyer L, Peloquin RG, Yao S, Kumar A, Spychala J, Boykin DW, Wilson WD. Small changes in cationic substituents of diphenylfuran derivatives have major effects on the binding affinity and the binding mode with RNA helical duplexes. Bioorg Med Chem. 1995 Jun;3(6):785-94. doi: 10.1016/0968-0896(95)00057-n. PMID: 7582956.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7582956/,,,,,,Not Found,No,No,,,,
DBoRL118,"Berenil [1,3-bis(4'-amidinophenyl)triazene]",[amino({4-[(2E)-3-{4-[amino(iminiumyl)methyl]phenyl}triaz-2-en-1-yl]phenyl})methylidene]azanium,[H][N+]([H])=C(N)C1=CC=C(N\N=N\C2=CC=C(C=C2)C(N)=[N+]([H])[H])C=C1,"InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)/p+2",XNYZHCFCZNMTFY-UHFFFAOYSA-P,C14H17N7,Not Found,283.338,1.762952097,5,5,5,2,poly(rA).poly(rU),"Berenil [ 1,3-Bis(4?-amidinophenyl)triazene] binds to poly(rA).poly(rU) sequence of minor groove of RNA duplex and work as intercalating agent.",7632695,,,,,,"Pilch DS, Kirolos MA, Liu X, Plum GE, Breslauer KJ. Berenil [1,3-bis(4'-amidinophenyl)triazene] binding to DNA duplexes and to a RNA duplex: evidence for both intercalative and minor groove binding properties. Biochemistry. 1995 Aug 8;34(31):9962-76. doi: 10.1021/bi00031a019. PMID: 7632695.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7632695/,,,,,,22956468,Yes,No,Experimental,DB03608,https://go.drugbank.com/drugs/DB03608,This is the isomeric form of the drug approved by USFDA.
DBoRL119,Diminazene(2+),{amino[4-(3-{4-[amino(iminiumyl)methyl]phenyl}triaz-1-en-1-yl)phenyl]methylidene}azanium,NC(=[NH2+])c1ccc(N=NNc2ccc(C(N)=[NH2+])cc2)cc1,"InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)/p+2",XNYZHCFCZNMTFY-UHFFFAOYSA-P,C14H17N7,Not Found,283.338,1.762952097,5,5,5,2,poly(rA).poly(rU),Diminazene(2+) binds with Poly(A)poly(U) region of RNA. The binding increases the melting temperature and stabilize the RNA structure.,7632695,,,,,,"Pilch DS, Kirolos MA, Liu X, Plum GE, Breslauer KJ. Berenil [1,3-bis(4'-amidinophenyl)triazene] binding to DNA duplexes and to a RNA duplex: evidence for both intercalative and minor groove binding properties. Biochemistry. 1995 Aug 8;34(31):9962-76. doi: 10.1021/bi00031a019. PMID: 7632695.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7632695/,,,,,,22956468,Yes,No,Experimental,DB03608,https://go.drugbank.com/drugs/DB03608,This is the isomeric form of the drug approved by USFDA.
DBoRL120,T-2 toxin,"11'-(acetyloxy)-2'-[(acetyloxy)methyl]-10'-hydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0?,?]dodecan]-5'-en-4'-yl 3-methylbutanoate",CC(=O)OCC12CC(OC(=O)CC(C)C)C(C)=CC1OC1C(O)C(OC(C)=O)C2(C)C12CO2,"InChI=1/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3",BXFOFFBJRFZBQZ-UHFFFAOYNA-N,C24H34O9,Not Found,466.527,1.019437557,1,6,9,4,23S rRNA,T2 toxin (an antibiotic) inhibits the peptidyl transferase reaction by binding with peptidyl transferase centre of the 23 S-like rRNAs.,7707371,,,,,,"Rodriguez-Fonseca C, Amils R, Garrett RA. Fine structure of the peptidyl transferase centre on 23 S-like rRNAs deduced from chemical probing of antibiotic-ribosome complexes. J Mol Biol. 1995 Mar 24;247(2):224-35. doi: 10.1006/jmbi.1994.0135. PMID: 7707371.",,,,,,https://pubmed.ncbi.nlm.nih.gov/7707371/,,,,,,529495,No,No,,,,
DBoRL121,Amicetin,"4-(2-amino-3-hydroxy-2-methylpropanamido)-N-[1-(5-{[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl]benzamide",CC1OC(n2ccc(NC(=O)c3ccc(NC(=O)C(C)(N)CO)cc3)nc2=O)CCC1OC1OC(C)C(N(C)C)C(O)C1O,"InChI=1/C29H42N6O9/c1-15-19(44-26-24(38)23(37)22(34(4)5)16(2)43-26)10-11-21(42-15)35-13-12-20(33-28(35)41)32-25(39)17-6-8-18(9-7-17)31-27(40)29(3,30)14-36/h6-9,12-13,15-16,19,21-24,26,36-38H,10-11,14,30H2,1-5H3,(H,31,40)(H,32,33,39,41)",HDNVYHWHCVTDIV-UHFFFAOYNA-N,C29H42N6O9,Not Found,618.688,-0.733013813,6,12,9,4,70S ribosome,Amicetin (a universal inhibitor of peptide bond formation) binds and interact the site of 23S rRNA which is a conserved secondary structural motif in 23S rRNA. ,8157007,,,,,,"1) Hermann T. Chemical and functional diversity of small molecule ligands for RNA. Biopolymers. 2003 Sep;70(1):4-18. doi: 10.1002/bip.10410. PMID: 12925990. 2) Leviev IG, Rodriguez-Fonseca C, Phan H, Garrett RA, Heilek G, Noller HF, Mankin AS. A conserved secondary structural motif in 23S rRNA defines the site of interaction of amicetin, a universal inhibitor of peptide bond formation. EMBO J. 1994 Apr 1;13(7):1682-6. PMID: 8157007; PMCID: PMC394999. ",,,,,,https://pubmed.ncbi.nlm.nih.gov/8157007/,,,,,,221187,No,No,,,,
DBoRL123,"berenil [1,3-bis(4'-amidinophenyl)-triazene]",[amino({4-[(2E)-3-{4-[amino(iminiumyl)methyl]phenyl}triaz-2-en-1-yl]phenyl})methylidene]azanium,[H][N+]([H])=C(N)C1=CC=C(N\N=N\C2=CC=C(C=C2)C(N)=[N+]([H])[H])C=C1,"InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)/p+2",XNYZHCFCZNMTFY-UHFFFAOYSA-P,C14H17N7,Not Found,283.338,1.762952097,5,5,5,2,RNA triplex: Poly(rA).2poly(rU),"Berenil binds to DNA as well as RNA triplexes. But here only the berenil interaction with RNA described. Berenil binds to the poly(rA).2poly(rU) RNA triplex without displacing the major groove-bound third strands. Both berenil bound triplexes melt via two distinct transitions: initial conversion of the triplex to the duplex state, with the berenil remaining bound, followed by denaturation of the duplex to its component single strands. The effect of berenil binding on the thermal stability of the RNA triplex to duplex equilibrium also depends on the [base triplet]/[total berenil] ratio, having a weakly destabilizing effect on this equilibrium at [base triplet]/[total berenil] ratios ?5, while thermally stabilizing this equilibrium at [base triplet]/[total berenil] ratios.",8519768,,,,,,"Pilch DS, Kirolos MA, Breslauer KJ. Berenil binding to higher ordered nucleic acid structures: complexation with a DNA and RNA triple helix. Biochemistry. 1995 Dec 12;34(49):16107-24. doi: 10.1021/bi00049a026. PMID: 8519768.",,,,,,https://pubmed.ncbi.nlm.nih.gov/8519768/,,,,,,22956468,Yes,No,Experimental,DB03608,https://go.drugbank.com/drugs/DB03608,This is the isomeric form of the drug approved by USFDA.
DBoRL124,DAPI,2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide,N=C(N)c1ccc(-c2cc3ccc(C(=N)N)cc3[nH]2)cc1,"InChI=1S/C16H15N5/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13/h1-8,21H,(H3,17,18)(H3,19,20)",FWBHETKCLVMNFS-UHFFFAOYSA-N,C16H15N5,47165-04-8,277.331,1.480171243,5,4,3,3,HIV-1 TAR,"Binding of DAPI to the GC-rich regions of TAR RNA and likely involves intercalation into the A-form TAR RNA helix. Hence, HIV-1 TAR RNA become unable to bind with viral protein Tat.",8628678,,,,,,"Bailly C, Colson P, Houssier C, Hamy F. The
binding mode of drugs to the tar RNA of
HIV-1 studied by electric linear dichroism.
Nucl. Acids Res. 24(8), 1460?1464 (1996).",,,,,,https://pubmed.ncbi.nlm.nih.gov/8628678/,,,,,,2954,No,No,,,,
DBoRL125,Ethidium bromide,"3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium bromide",CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[Br-],"InChI=1S/C21H19N3.BrH/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14;/h3-13,23H,2,22H2,1H3;1H",ZMMJGEGLRURXTF-UHFFFAOYSA-N,C21H20BrN3,1239-45-8,394.316,-0.913257801,2,2,2,4,"RNA heteroduplex, bulged RNA.","Ethidium bromide binds with RNA heteroduples, bulged RNA & work as intercalating agent.",8628678,,,,,,"Christian Bailly, Pierre Colson, Claude Houssier, Fran?ois Hamy, The Binding Mode of Drugs to the TAR RNA of HIV-1 Studied by Electric Linear Dichroism, Nucleic Acids Research, Volume 24, Issue 8, 1 April 1996, Pages 1460?1464, https://doi.org/10.1093/nar/24.8.1460",,,,,,https://pubmed.ncbi.nlm.nih.gov/8628678/,,,,,,14710,No,No,,,,
DBoRL126,Amsacrine-4-carboxamide derivative,N-[2-(dimethylamino)ethyl]-9-[(4-methanesulfonamido-2-methoxyphenyl)amino]acridine-4-carboxamide,COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(=O)NCCN(C)C)cccc12,"InChI=1S/C26H29N5O4S/c1-31(2)15-14-27-26(32)20-10-7-9-19-24(18-8-5-6-11-21(18)28-25(19)20)29-22-13-12-17(16-23(22)35-3)30-36(4,33)34/h5-13,16,30H,14-15H2,1-4H3,(H,27,32)(H,28,29)",PCDQLFWIZFQMAV-UHFFFAOYSA-N,C26H29N5O4S,88476-68-0,507.61,2.058886827,3,7,8,4,HIV-1 TAR RNA,"HIV-1 TAR RNA functions critically in viral replication by binding the transactivating regulatory protein Tat. Amsacrine-4-carboxamide derivative inhibits the Tat-TAR interaction, as a result interference occurs with viral replication.",8628678,,,,,,"Bailly C, Colson P, Houssier C, Hamy F. The binding mode of drugs to the TAR RNA of HIV-1 studied by electric linear dichroism. Nucleic Acids Res. 1996 Apr 15;24(8):1460-4. doi: 10.1093/nar/24.8.1460. PMID: 8628678; PMCID: PMC145822.",,,,,,https://pubmed.ncbi.nlm.nih.gov/8628678/,,,,,,150135,No,No,,,,
DBoRL127,Netropsin,N-(2-carbamimidoylethyl)-4-(4-{2-[(diaminomethylidene)amino]acetamido}-1-methyl-1H-pyrrole-2-amido)-1-methyl-1H-pyrrole-2-carboxamide,Cn1cc(NC(=O)c2cc(NC(=O)CN=C(N)N)cn2C)cc1C(=O)NCCC(=N)N,"InChI=1S/C18H26N10O3/c1-27-9-11(6-12(27)16(30)23-4-3-14(19)20)26-17(31)13-5-10(8-28(13)2)25-15(29)7-24-18(21)22/h5-6,8-9H,3-4,7H2,1-2H3,(H3,19,20)(H,23,30)(H,25,29)(H,26,31)(H4,21,22,24)",IDBIFFKSXLYUOT-UHFFFAOYSA-N,C18H26N10O3,1438-30-8,430.473,-3.051966913,7,8,9,2,HIV-1 TAR RNA,"HIV-1 TAR RNA functions critically in viral replication by binding the transactivating regulatory protein Tat. Netropsin inhibits the Tat-TAR interaction, as a result interference occurs with viral replication.",8628678,,,,,,"Bailly C, Colson P, Houssier C, Hamy F. The binding mode of drugs to the TAR RNA of HIV-1 studied by electric linear dichroism. Nucleic Acids Res. 1996 Apr 15;24(8):1460-4. doi: 10.1093/nar/24.8.1460. PMID: 8628678; PMCID: PMC145822.",,,,,,https://pubmed.ncbi.nlm.nih.gov/8628678/,,,,,,4461,No,No,,,,
DBoRL128,Flavin mononucleotide,"[(5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl)oxy]phosphonic acid",Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)O)c2cc1C,"InChI=1/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)",FVTCRASFADXXNN-UHFFFAOYNA-N,C17H21N4O9P,Not Found,456.348,-1.198429543,6,11,7,3,FMN-RNA APTAMER COMPLEX,FMN binds with RNA aptamer and form FMN-RNA aptamer complex. Please see the reference for more details.,8642604,,,,,,"Fan P, Suri AK, Fiala R, Live D, Patel DJ. Molecular recognition in the FMN-RNA aptamer complex. J Mol Biol. 1996 May 10;258(3):480-500. doi: 10.1006/jmbi.1996.0263. PMID: 8642604.",,,,,,https://pubmed.ncbi.nlm.nih.gov/8642604/,,,,,,710,Yes,Yes,Investigational,DB03247,https://go.drugbank.com/drugs/DB03247,
DBoRL129,L-citrulline,2-amino-5-(carbamoylamino)pentanoic acid,NC(=O)NCCCC(N)C(=O)O,"InChI=1/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)",RHGKLRLOHDJJDR-UHFFFAOYNA-N,C6H13N3O3,Not Found,175.188,-3.931957838,4,4,5,0,IVS of Tetrahymena ,L-citrulline competitively inhibits the reaction of GTP with the Tetrahymena ribosomal self-splicing intron.,8650546,,,,,,"Yang Y, Kochoyan M, Burgstaller P, Westhof E, Famulok M. Structural basis of ligand discrimination by two related RNA aptamers resolved by NMR spectroscopy. Science. 1996 May 31;272(5266):1343-7. doi: 10.1126/science.272.5266.1343. PMID: 8650546.",,,,,,https://pubmed.ncbi.nlm.nih.gov/8650546/,,,,,,833,Yes,No,Investigational Nutraceutical,DB00155,https://go.drugbank.com/drugs/DB00155,
DBoRL130,AMP,"{[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid",Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,"InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)",UDMBCSSLTHHNCD-UHFFFAOYNA-N,C10H14N5O7P,Not Found,347.224,-5.197805434,5,10,4,3,Aptamer,AMP has the ability to binds with RNA aptamer and form the RNA-aptamer complex.,8700212,,,,,,"Jiang F, Kumar RA, Jones RA, Patel DJ. Structural basis of RNA folding and recognition in an AMP-RNA aptamer complex. Nature. 1996 Jul 11;382(6587):183-6. doi: 10.1038/382183a0. PMID: 8700212.",,,,,,https://pubmed.ncbi.nlm.nih.gov/8700212/,,,,,,224,Yes,Yes,Investigational Nutraceutical,DB00131,https://go.drugbank.com/drugs/DB00131,
DBoRL131,CRP,"5-({[5-amino-6-({5-[(3,5-diamino-2-{[3-amino-5-hydroxy-6-(hydroxymethyl)-4-methyloxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)-3,4-dihydroxyoxan-2-yl]methyl}carbamoyl)-2-[6-(dimethylamino)-3-(dimethyliminiumyl)-3H-xanthen-9-yl]benzoate",CC1C(N)C(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3OC(CNC(=O)c4ccc(-c5c6ccc(=[N+](C)C)cc-6oc6cc(N(C)C)ccc56)c(C(=O)[O-])c4)C(O)C(O)C3N)C2O)OC(CO)C1O,"InChI=1/C49H67N7O17/c1-19-35(52)47(69-32(17-57)37(19)59)71-42-28(51)15-27(50)38(60)44(42)73-49-41(63)43(33(18-58)70-49)72-48-36(53)40(62)39(61)31(68-48)16-54-45(64)20-6-9-23(26(12-20)46(65)66)34-24-10-7-21(55(2)3)13-29(24)67-30-14-22(56(4)5)8-11-25(30)34/h6-14,19,27-28,31-33,35-44,47-49,57-63H,15-18,50-53H2,1-5H3,(H-,54,64,65,66)",ZXPCVMRHOZZYAC-UHFFFAOYNA-N,C49H67N7O17,Not Found,1026.11,-7.287923825,12,22,13,8,decoding region 16SrRNA,"CRP, an aminoglycoside, specifically binds to RNA construct derived from the 16S rRNA decoding region and the HIV-RRE activator region.",9020774,,,,,,"Wang Y, Hamasaki K, Rando RR. Specificity of aminoglycoside binding to RNA constructs derived from the 16S rRNA decoding region and the HIV-RRE activator region. Biochemistry. 1997 Jan 28;36(4):768-79. doi: 10.1021/bi962095g. PMID: 9020774.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9020774/,,,,,,Not Found,No,No,,,,
DBoRL132,alpha-D-Kanosamine(1+),"2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-aminium",[NH3+]C1C(O)C(O)OC(CO)C1O,"InChI=1/C6H13NO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1,7H2/p+1",BQCCAEOLPYCBAE-UHFFFAOYNA-O,C6H14NO5,Not Found,180.179,-3.039421015,5,5,1,1,SACCHARIDE-RNA,The compound may help to recognise saccharide-RNA in aminoglycoside antibiotic.,9070426,,,,,,"Jiang L, Suri AK, Fiala R, Patel DJ. Saccharide-RNA recognition in an aminoglycoside antibiotic-RNA aptamer complex. Chem Biol. 1997 Jan;4(1):35-50. doi: 10.1016/s1074-5521(97)90235-0. PMID: 9070426.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9070426/,,,,,,5193335,No,No,,,,
DBoRL133,"2,6-Diamino-2,3,6-trideoxy-alpha-D-glucose(2+)","6-(azaniumylmethyl)-2,5-dihydroxyoxan-3-aminium",[NH3+]CC1OC(O)C([NH3+])CC1O,"InChI=1/C6H14N2O3/c7-2-5-4(9)1-3(8)6(10)11-5/h3-6,9-10H,1-2,7-8H2/p+2",CEGXIUROHCNLCL-UHFFFAOYNA-P,C6H16N2O3,Not Found,164.204,-2.45600813,4,3,1,1,SACCHARIDE-RNA,The compound may help to recognise saccharide-RNA in aminoglycoside antibiotic.,9070426,,,,,,"Jiang L, Suri AK, Fiala R, Patel DJ. Saccharide-RNA recognition in an aminoglycoside antibiotic-RNA aptamer complex. Chem Biol. 1997 Jan;4(1):35-50. doi: 10.1016/s1074-5521(97)90235-0. PMID: 9070426.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9070426/,,,,,,3381445,No,No,,,,
DBoRL134,"1,3-Diamino-5,6-dihydroxycyclohexane","4,5-dihydroxycyclohexane-1,3-bis(aminium)",[NH3+]C1CC([NH3+])C(O)C(O)C1,"InChI=1/C6H14N2O2/c7-3-1-4(8)6(10)5(9)2-3/h3-6,9-10H,1-2,7-8H2/p+2",QOLDZWBHLDQIJR-UHFFFAOYNA-P,C6H16N2O2,Not Found,148.205,-2.615183883,4,2,0,1,SACCHARIDE-RNA,The compound may help to recognise saccharide-RNA in aminoglycoside antibiotic.,9070426,,,,,,"Jiang L, Suri AK, Fiala R, Patel DJ. Saccharide-RNA recognition in an aminoglycoside antibiotic-RNA aptamer complex. Chem Biol. 1997 Jan;4(1):35-50. doi: 10.1016/s1074-5521(97)90235-0. PMID: 9070426.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9070426/,,,,,,3381444,No,No,,,,
DBoRL135,Diphenylfuran analog 1,N-[3-(dimethylamino)propyl]-4-[5-(4-{N-[3-(dimethylamino)propyl]carbamimidoyl}phenyl)furan-2-yl]benzene-1-carboximidamide,CN(C)CCCNC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NCCCN(C)C)cc3)o2)cc1,"InChI=1S/C28H38N6O/c1-33(2)19-5-17-31-27(29)23-11-7-21(8-12-23)25-15-16-26(35-25)22-9-13-24(14-10-22)28(30)32-18-6-20-34(3)4/h7-16H,5-6,17-20H2,1-4H3,(H2,29,31)(H2,30,32)",GQQNWGFLHBBIRH-UHFFFAOYSA-N,C28H38N6O,Not Found,474.653,2.801308577,4,6,12,3,RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Diphenylfuran analogue 1 has the ability to modulate Rev-RRE Interaction. The compound selectively binds to RRE RNA and blocks Rev-RRE interaction, results the virus become unable to replicate.",9222509,,,,,," Zapp ML, Young DW, Kumar A, Singh R, Boykin DW, Wilson WD, Green MR. Modulation of the Rev-RRE interaction by aromatic heterocyclic compounds. Bioorg Med Chem. 1997 Jun;5(6):1149-55. doi: 10.1016/s0968-0896(97)00063-1. PMID: 9222509.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9222509/,,,,,,457674,No,No,,,,
DBoRL136,Diphenylfuran analog 2,N-(propan-2-yl)-4-(5-{4-[(propan-2-yl)amino]phenyl}furan-2-yl)aniline,CC(C)Nc1ccc(-c2ccc(-c3ccc(NC(C)C)cc3)o2)cc1,"InChI=1S/C22H26N2O/c1-15(2)23-19-9-5-17(6-10-19)21-13-14-22(25-21)18-7-11-20(12-8-18)24-16(3)4/h5-16,23-24H,1-4H3",HCPUTAQOVWEEDD-UHFFFAOYSA-N,C22H26N2O,Not Found,334.463,4.740266521,2,2,6,3,RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Diphenylfuran analogue 2 has the ability to modulate Rev-RRE Interaction. The compound selectively binds to RRE RNA and blocks Rev-RRE interaction, results the virus become unable to replicate.",9222509,,,,,," Zapp ML, Young DW, Kumar A, Singh R, Boykin DW, Wilson WD, Green MR. Modulation of the Rev-RRE interaction by aromatic heterocyclic compounds. Bioorg Med Chem. 1997 Jun;5(6):1149-55. doi: 10.1016/s0968-0896(97)00063-1. PMID: 9222509.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9222509/,,,,,,473608,No,No,,,,
DBoRL137,Diphenylfuran analog 3,"N-[3-(dimethylamino)propyl]-4-[2-(4-{N-[3-(dimethylamino)propyl]carbamimidoyl}phenyl)-1,3-oxazol-5-yl]benzene-1-carboximidamide",CN(C)CCCNC(=N)c1ccc(-c2cnc(-c3ccc(C(=N)NCCCN(C)C)cc3)o2)cc1,"InChI=1S/C27H37N7O/c1-33(2)17-5-15-30-25(28)21-9-7-20(8-10-21)24-19-32-27(35-24)23-13-11-22(12-14-23)26(29)31-16-6-18-34(3)4/h7-14,19H,5-6,15-18H2,1-4H3,(H2,28,30)(H2,29,31)",RSXUGUCYKIZGCT-UHFFFAOYSA-N,C27H37N7O,Not Found,475.641,2.060498205,4,7,12,3,RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Diphenylfuran analogue 3 has the ability to modulate Rev-RRE Interaction. The compound selectively binds to RRE RNA and blocks Rev-RRE interaction, results the virus become unable to replicate.",9222509,,,,,," Zapp ML, Young DW, Kumar A, Singh R, Boykin DW, Wilson WD, Green MR. Modulation of the Rev-RRE interaction by aromatic heterocyclic compounds. Bioorg Med Chem. 1997 Jun;5(6):1149-55. doi: 10.1016/s0968-0896(97)00063-1. PMID: 9222509.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9222509/,,,,,,485983,No,No,,,,
DBoRL138,Diphenylfuran analog 4,N-[3-(dimethylamino)propyl]-4-[5-(4-{N-[3-(dimethylamino)propyl]carbamimidoyl}phenyl)thiophen-2-yl]benzene-1-carboximidamide,CN(C)CCCNC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NCCCN(C)C)cc3)s2)cc1,"InChI=1S/C28H38N6S/c1-33(2)19-5-17-31-27(29)23-11-7-21(8-12-23)25-15-16-26(35-25)22-9-13-24(14-10-22)28(30)32-18-6-20-34(3)4/h7-16H,5-6,17-20H2,1-4H3,(H2,29,31)(H2,30,32)",WBHLXHYFURNIOV-UHFFFAOYSA-N,C28H38N6S,Not Found,490.71,3.594914936,4,6,12,3,RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Diphenylfuran analogue 4 has the ability to modulate Rev-RRE Interaction. The compound selectively binds to RRE RNA and blocks Rev-RRE interaction, results the virus become unable to replicate.",9222509,,,,,," Zapp ML, Young DW, Kumar A, Singh R, Boykin DW, Wilson WD, Green MR. Modulation of the Rev-RRE interaction by aromatic heterocyclic compounds. Bioorg Med Chem. 1997 Jun;5(6):1149-55. doi: 10.1016/s0968-0896(97)00063-1. PMID: 9222509.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9222509/,,,,,,485984,No,No,,,,
DBoRL139,Diphenylfuran analog 5,N-[3-(dimethylamino)propyl]-4-[2-(4-{N-[3-(dimethylamino)propyl]carbamimidoyl}phenyl)pyrimidin-4-yl]benzene-1-carboximidamide,CN(C)CCCNC(=N)c1ccc(-c2ccnc(-c3ccc(C(=N)NCCCN(C)C)cc3)n2)cc1,"InChI=1S/C28H38N8/c1-35(2)19-5-16-31-26(29)22-9-7-21(8-10-22)25-15-18-33-28(34-25)24-13-11-23(12-14-24)27(30)32-17-6-20-36(3)4/h7-15,18H,5-6,16-17,19-20H2,1-4H3,(H2,29,31)(H2,30,32)",LTNBADQBLYSGSC-UHFFFAOYSA-N,C28H38N8,Not Found,486.668,3.294308082,4,8,12,3,RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Diphenylfuran analogue 5 has the ability to modulate Rev-RRE Interaction. The compound selectively binds to RRE RNA and blocks Rev-RRE interaction, results the virus become unable to replicate.",9222509,,,,,," Zapp ML, Young DW, Kumar A, Singh R, Boykin DW, Wilson WD, Green MR. Modulation of the Rev-RRE interaction by aromatic heterocyclic compounds. Bioorg Med Chem. 1997 Jun;5(6):1149-55. doi: 10.1016/s0968-0896(97)00063-1. PMID: 9222509.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9222509/,,,,,,485982,No,No,,,,
DBoRL140,Diphenylfuran analog 6,N-[3-(dimethylamino)propyl]-4-[5-(4-{N-[3-(dimethylamino)propyl]carbamimidoyl}phenyl)-1H-pyrrol-2-yl]benzene-1-carboximidamide,CN(C)CCCNC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NCCCN(C)C)cc3)[nH]2)cc1,"InChI=1S/C28H39N7/c1-34(2)19-5-17-31-27(29)23-11-7-21(8-12-23)25-15-16-26(33-25)22-9-13-24(14-10-22)28(30)32-18-6-20-35(3)4/h7-16,33H,5-6,17-20H2,1-4H3,(H2,29,31)(H2,30,32)",OSZDULIHJPEMNU-UHFFFAOYSA-N,C28H39N7,Not Found,473.669,2.740947169,5,6,12,3,RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Diphenylfuran analogue 6 has the ability to modulate Rev-RRE Interaction. The compound selectively binds to RRE RNA and blocks Rev-RRE interaction, results the virus become unable to replicate.",9222509,,,,,," Zapp ML, Young DW, Kumar A, Singh R, Boykin DW, Wilson WD, Green MR. Modulation of the Rev-RRE interaction by aromatic heterocyclic compounds. Bioorg Med Chem. 1997 Jun;5(6):1149-55. doi: 10.1016/s0968-0896(97)00063-1. PMID: 9222509.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9222509/,,,,,,473615,No,No,,,,
DBoRL141,Diphenylfuran analog 7,"N-[3-(dimethylamino)propyl]-2-[5-(4-{N-[3-(dimethylamino)propyl]carbamimidoyl}phenyl)furan-2-yl]-1H-1,3-benzodiazole-6-carboximidamide",CN(C)CCCNC(=N)c1ccc(-c2ccc(-c3nc4ccc(C(=N)NCCCN(C)C)cc4[nH]3)o2)cc1,"InChI=1S/C29H38N8O/c1-36(2)17-5-15-32-27(30)21-9-7-20(8-10-21)25-13-14-26(38-25)29-34-23-12-11-22(19-24(23)35-29)28(31)33-16-6-18-37(3)4/h7-14,19H,5-6,15-18H2,1-4H3,(H2,30,32)(H2,31,33)(H,34,35)",YWIIYARXKNEYNQ-UHFFFAOYSA-N,C29H38N8O,213972-23-7,514.678,0.968098414,5,7,12,4,RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Diphenylfuran analogue 7 has the ability to modulate Rev-RRE Interaction. The compound selectively binds to RRE RNA and blocks Rev-RRE interaction, results the virus become unable to replicate.",9222509,,,,,," Zapp ML, Young DW, Kumar A, Singh R, Boykin DW, Wilson WD, Green MR. Modulation of the Rev-RRE interaction by aromatic heterocyclic compounds. Bioorg Med Chem. 1997 Jun;5(6):1149-55. doi: 10.1016/s0968-0896(97)00063-1. PMID: 9222509.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9222509/,,,,,,460172,No,No,,,,
DBoRL142,4-(2-Aminoethyl)-2-methoxyphenol,4-(2-aminoethyl)-2-methoxyphenol,COc1cc(CCN)ccc1O,"InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3",DIVQKHQLANKJQO-UHFFFAOYSA-N,C9H13NO2,554-52-9,167.208,0.67653713,2,3,3,1,RNA aptamer,"RNA aptamer binds with 4-(2-Aminoethyl)-2-methoxyphenol, as a result RNA structure might undergo a conformational change that stabilizes the overall structure of RNA.",9245404,,,,,,"Mannironi C, Di Nardo A, Fruscoloni P, Tocchini-Valentini GP. In vitro selection of dopamine RNA ligands. Biochemistry. 1997 Aug 12;36(32):9726-34. doi: 10.1021/bi9700633. PMID: 9245404.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9245404/,,,,,,1669,No,No,,,,
DBoRL143,Catechol,"benzene-1,2-diol",Oc1ccccc1O,"InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H",YCIMNLLNPGFGHC-UHFFFAOYSA-N,C6H6O2,"120-80-9,12385-08-9,26982-53-6",110.112,1.366115173,2,2,0,1,RNA aptamer,"RNA aptamer binds with Catechol, as a result RNA structure might undergo a conformational change that stabilizes the overall structure of RNA.",9245404,,,,,,"Mannironi C, Di Nardo A, Fruscoloni P, Tocchini-Valentini GP. In vitro selection of dopamine RNA ligands. Biochemistry. 1997 Aug 12;36(32):9726-34. doi: 10.1021/bi9700633. PMID: 9245404.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9245404/,,,,,,289,Yes,No,Experimental,DB02232,https://go.drugbank.com/drugs/DB02232,
DBoRL144,Ethylamine,ethanamine,CCN,"InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3",QUSNBJAOOMFDIB-UHFFFAOYSA-N,C2H7N,75-04-7,45.085,-0.268650911,1,1,0,0,RNA aptamer,"RNA aptamer binds with Ethylamine, as a result RNA structure might undergo a conformational change that stabilizes the overall structure of RNA.",9245404,,,,,,"Mannironi C, Di Nardo A, Fruscoloni P, Tocchini-Valentini GP. In vitro selection of dopamine RNA ligands. Biochemistry. 1997 Aug 12;36(32):9726-34. doi: 10.1021/bi9700633. PMID: 9245404.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9245404/,,,,,,6341,No,No,,,,
DBoRL145,Norepinephrine,"4-(2-amino-1-hydroxyethyl)benzene-1,2-diol",NCC(O)c1ccc(O)c(O)c1,"InChI=1/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2",SFLSHLFXELFNJZ-UHFFFAOYNA-N,C8H11NO3,Not Found,169.18,-0.505785185,4,4,2,1,RNA aptamer,"RNA aptamer binds with norepinephrine, as a result RNA structure might undergo a conformational change that stabilizes the overall structure of RNA.",9245404,,,,,,"Mannironi C, Di Nardo A, Fruscoloni P, Tocchini-Valentini GP. In vitro selection of dopamine RNA ligands. Biochemistry. 1997 Aug 12;36(32):9726-34. doi: 10.1021/bi9700633. PMID: 9245404.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9245404/,,,,,,951,Yes,Yes,,DB00368,https://go.drugbank.com/drugs/DB00368,
DBoRL146,Phenethylamine,2-phenylethan-1-amine,NCCc1ccccc1,"InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2",BHHGXPLMPWCGHP-UHFFFAOYSA-N,C8H11N,64-04-0,121.183,1.387675457,1,1,2,1,RNA aptamer,"RNA aptamer binds with Phenethylamine, as a result RNA structure might undergo a conformational change that stabilizes the overall structure of RNA.",9245404,,,,,,"Mannironi C, Di Nardo A, Fruscoloni P, Tocchini-Valentini GP. In vitro selection of dopamine RNA ligands. Biochemistry. 1997 Aug 12;36(32):9726-34. doi: 10.1021/bi9700633. PMID: 9245404.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9245404/,,,,,,1001,Yes,No,Experimental,DB04325,https://go.drugbank.com/drugs/DB04325,
DBoRL147,Theophylline,"1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione",Cn1c(=O)c2[nH]cnc2n(C)c1=O,"InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)",ZFXYFBGIUFBOJW-UHFFFAOYSA-N,C7H8N4O2,"58-55-9,1246816-25-0,50857-74-4,75448-53-2",180.167,-0.769321657,1,3,0,2,Aptamer,Theophylline binds with RNA aptamer. The theophylline-binding RNA helps in interlocking structural motifs mediate molecular discrimination. ,9253414,,,,,,"Zimmermann GR, Jenison RD, Wick CL, Simorre JP, Pardi A. Interlocking structural motifs mediate molecular discrimination by a theophylline-binding RNA. Nat Struct Biol. 1997 Aug;4(8):644-9. doi: 10.1038/nsb0897-644. PMID: 9253414.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9253414/,,,,,,2153,Yes,Yes,,DB00277,https://go.drugbank.com/drugs/DB00277,
DBoRL148,Hoechst 33285,"4-{6-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenol",CN1CCN(c2ccc3[nH]c(-c4ccc5nc(-c6ccc(O)cc6)[nH]c5c4)nc3c2)CC1,"InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)",INAAIJLSXJJHOZ-UHFFFAOYSA-N,C25H24N6O,23491-44-3,424.508,4.123215791,3,5,3,6,HIV-1 TAR RNA,Hoechst 33258 binds to the TAR RNA of HIV-1 & recognise a pyrimidine bulge-dependent structure.,9358156,,,,,,"Dassonneville L, Hamy F, Colson P, Houssier C, Bailly C. Binding of Hoechst 33258 to the TAR RNA of HIV-1. Recognition of a pyrimidine bulge-dependent structure. Nucleic Acids Res. 1997 Nov 15;25(22):4487-92. doi: 10.1093/nar/25.22.4487. PMID: 9358156; PMCID: PMC147084.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9358156/,,,,,,2392,No,No,,,,
DBoRL149,5-Carboxytetramethylrhodamine-labeled tobramycin (CRT),"9-{4-[({5-amino-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3-hydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CCN(CC)c1ccc2c(-c3ccc(C(=O)NCC4OC(OC5C(N)CC(N)C(OC6OC(CO)C(O)C(N)C6O)C5O)C(N)CC4O)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1,"InChI=1/C45H61N7O13/c1-5-52(6-2)22-9-12-25-32(15-22)61-31-14-21(51(3)4)8-11-24(31)35(25)23-10-7-20(13-26(23)43(59)60)42(58)50-18-33-30(54)17-29(48)44(62-33)64-40-27(46)16-28(47)41(39(40)57)65-45-38(56)36(49)37(55)34(19-53)63-45/h7-15,27-30,33-34,36-41,44-45,53-57H,5-6,16-19,46-49H2,1-4H3,(H-,50,58,59,60)/p+1",GVXCWMBPIJULHS-UHFFFAOYNA-O,C45H62N7O13,Not Found,909.026,-5.829634897,11,18,12,7,RNA aptamer,"5-Carboxytetramethylrhodamine-labeled tobramycin (CRT), an aminoglycoside antibiotic, specifically binds with RNA aptamer and interfere with ribosomal protein synthesis and with intron splicing.",9383430,,,,,,"Hamasaki K, Killian J, Cho J, Rando RR. Minimal RNA constructs that specifically bind aminoglycoside antibiotics with high affinities. Biochemistry. 1998 Jan 13;37(2):656-63. doi: 10.1021/bi971095t. PMID: 9425088.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383430/,,,,,,Not Found,No,No,,,,
DBoRL150,Pyr tobramycin,"N-({5-amino-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3-hydroxyoxan-2-yl}methyl)-5-(pyren-2-yl)pentanamide",NC1CC(O)C(CNC(=O)CCCCc2cc3ccc4cccc5ccc(c2)c3c45)OC1OC1C(N)CC(N)C(OC2OC(CO)C(O)C(N)C2O)C1O,"InChI=1/C39H53N5O10/c40-23-14-24(41)37(54-39-34(49)32(43)33(48)28(17-45)52-39)35(50)36(23)53-38-25(42)15-26(46)27(51-38)16-44-29(47)7-2-1-4-18-12-21-10-8-19-5-3-6-20-9-11-22(13-18)31(21)30(19)20/h3,5-6,8-13,23-28,32-39,45-46,48-50H,1-2,4,7,14-17,40-43H2,(H,44,47)",DDWJKOFKJJMPQH-UHFFFAOYNA-N,C39H53N5O10,Not Found,751.878,-1.179926482,10,14,12,7,RNA aptamer,"Pyr tobramycin, an aminoglycoside antibiotic, specifically binds with RNA aptamer and interfere with ribosomal protein synthesis and with intron splicing.",9383430,,,,,,"Wang Y, Rando RR. Specific binding of aminoglycoside antibiotics to RNA. Chem Biol. 1995 May;2(5):281-90. doi: 10.1016/1074-5521(95)90047-0. PMID: 9383430.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383430/,,,,,,Not Found,No,No,,,,
DBoRL151,Dibekacin,"4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol",NCC1CCC(N)C(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)O1,"InChI=1/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2",JJCQSGDBDPYCEO-UHFFFAOYNA-N,C18H37N5O8,Not Found,451.521,-5.329802952,9,13,6,3,kanamycin-binding RNA aptamers,Kanamycin-binding RNA aptamers specifically binds to aminoglycoside antibiotic dibekacin. Please see the reference for more details.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,3021,Yes,Yes,,DB13270,https://go.drugbank.com/drugs/DB13270,
DBoRL152,Uracil,"1,2,3,4-tetrahydropyrimidine-2,4-dione",O=c1cc[nH]c(=O)[nH]1,"InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)",ISAKRJDGNUQOIC-UHFFFAOYSA-N,C4H4N2O2,"66-22-8,51953-14-1,144104-68-7,66255-05-8",112.088,-0.855291,2,2,0,1,32mer RNA xanthine-binding RNA,Mode of action is not known.,9512549,,,,,,"Kiga D, Futamura Y, Sakamoto K, Yokoyama S. An RNA aptamer to the xanthine/guanine base with a distinctive mode of purine recognition. Nucleic Acids Res. 1998 Apr 1;26(7):1755-60. doi: 10.1093/nar/26.7.1755. PMID: 9512549; PMCID: PMC147481.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9512549/,,,,,,1174,Yes,No,Experimental Investigational,DB03419,https://go.drugbank.com/drugs/DB03419,
DBoRL153,Cytosine,"6-amino-1,2-dihydropyrimidin-2-one",Nc1ccnc(=O)[nH]1,"InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)",OPTASPLRGRRNAP-UHFFFAOYSA-N,C4H5N3O,"71-30-7,107646-83-3,107646-84-4,134434-39-2,134434-40-5,287484-45-1,66460-21-7",111.104,-1.147605792,2,3,0,1,32mer RNA xanthine-binding RNA,Mode of action is not known.,9512549,,,,,,"Kiga D, Futamura Y, Sakamoto K, Yokoyama S. An RNA aptamer to the xanthine/guanine base with a distinctive mode of purine recognition. Nucleic Acids Res. 1998 Apr 1;26(7):1755-60. doi: 10.1093/nar/26.7.1755. PMID: 9512549; PMCID: PMC147481.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9512549/,,,,,,597,No,No,,,,
DBoRL154,InPRiNT compound 1,N-{3-[(4-aminobutyl)(3-aminopropyl)amino]propyl}-6-chloro-2-methoxyacridin-9-amine,COc1ccc2nc3cc(Cl)ccc3c(NCCCN(CCCN)CCCCN)c2c1,"InChI=1S/C24H34ClN5O/c1-31-19-7-9-22-21(17-19)24(20-8-6-18(25)16-23(20)29-22)28-12-5-15-30(14-4-11-27)13-3-2-10-26/h6-9,16-17H,2-5,10-15,26-27H2,1H3,(H,28,29)",BIGAHIIWPDZJMX-UHFFFAOYSA-N,C24H34ClN5O,Not Found,444.02,2.547297885,3,6,13,3,HIV-1 TAR RNA,"The main transcriptional regulator of the human immunodeficiency virus, the Tat protein, recognizes and binds to a small structured RNA element at the 5? end of every viral mRNA, termed TAR. InPRiNT compound 1, an HIV-1 Tat antagonist, acting through Tat-TAR Inhibition. As a results translation process interfere. ",9548739,,,,,,"Hamy F, Brondani V, Fl?rsheimer A, Stark W, Blommers MJ, Klimkait T. A new class of HIV-1 Tat antagonist acting through Tat-TAR inhibition. Biochemistry. 1998 Apr 14;37(15):5086-95. doi: 10.1021/bi972947s. PMID: 9548739.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9548739/,,,,,,470828,No,No,,,,
DBoRL155,InPRiNT compound 3,N-{2-[(4-aminobutyl)(3-aminopropyl)amino]ethyl}-6-chloro-2-methoxyacridine-9-carboxamide,COc1ccc2nc3cc(Cl)ccc3c(C(=O)NCCN(CCCN)CCCCN)c2c1,"InChI=1S/C24H32ClN5O2/c1-32-18-6-8-21-20(16-18)23(19-7-5-17(25)15-22(19)29-21)24(31)28-11-14-30(13-4-10-27)12-3-2-9-26/h5-8,15-16H,2-4,9-14,26-27H2,1H3,(H,28,31)",LQZVZYWOBIIUPJ-UHFFFAOYSA-N,C24H32ClN5O2,Not Found,458,2.088876378,3,6,12,3,HIV-1 TAR RNA,"The main transcriptional regulator of the human immunodeficiency virus, the Tat protein, recognizes and binds to a small structured RNA element at the 5? end of every viral mRNA, termed TAR. InPRiNT compound 3, an HIV-1 Tat antagonist, acting through Tat-TAR Inhibition. As a results translation process interfere. ",9548739,,,,,,"Hamy F, Brondani V, Fl?rsheimer A, Stark W, Blommers MJ, Klimkait T. A new class of HIV-1 Tat antagonist acting through Tat-TAR inhibition. Biochemistry. 1998 Apr 14;37(15):5086-95. doi: 10.1021/bi972947s. PMID: 9548739.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9548739/,,,,,,Not Found,No,No,,,,
DBoRL156,2-deoxy-D-Adenosine,5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol,Nc1ncnc2c1ncn2C1CC(O)C(CO)O1,"InChI=1/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)",OLXZPDWKRNYJJZ-UHFFFAOYNA-N,C10H13N5O3,Not Found,251.246,-1.190325809,3,7,2,3,Spiegelmer L-A42d RNA (58 mer),2-deoxy-D-Adenosine has the ability to binds with Spiegelmer L-A42d RNA (58 mer) and highly stabilizes the sequence.,9631061,,,,,,"Klussmann S, Nolte A, Bald R, Erdmann VA, F?rste JP. Mirror-image RNA that binds D-adenosine. Nat Biotechnol. 1996 Sep;14(9):1112-5. doi: 10.1038/nbt0996-1112. PMID: 9631061.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9631061/,,,,,,636,No,No,,,,
DBoRL157,2-O-methyl-D-Adenosine,5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol,COC1C(O)C(CO)OC1n1cnc2c(N)ncnc21,"InChI=1/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)",FPUGCISOLXNPPC-UHFFFAOYNA-N,C11H15N5O4,Not Found,281.272,-1.447837368,3,8,3,3,Spiegelmer L-A42d RNA (58 mer),2-O-methyl-D-Adenosine has the ability to binds with Spiegelmer L-A42d RNA (58 mer) and highly stabilizes the sequence.,9631061,,,,,,"Klussmann S, Nolte A, Bald R, Erdmann VA, F?rste JP. Mirror-image RNA that binds D-adenosine. Nat Biotechnol. 1996 Sep;14(9):1112-5. doi: 10.1038/nbt0996-1112. PMID: 9631061.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9631061/,,,,,,317398,No,No,,,,
DBoRL158,3-deoxy-D-Adenosine,2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-ol,Nc1ncnc2c1ncn2C1OC(CO)CC1O,"InChI=1/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)",OFEZSBMBBKLLBJ-UHFFFAOYNA-N,C10H13N5O3,Not Found,251.246,-1.400669191,3,7,2,3,Spiegelmer L-A42d RNA (58 mer),3-deoxy-D-Adenosine has the ability to binds with Spiegelmer L-A42d RNA (58 mer) and highly stabilizes the sequence.,9631061,,,,,,"Klussmann S, Nolte A, Bald R, Erdmann VA, F?rste JP. Mirror-image RNA that binds D-adenosine. Nat Biotechnol. 1996 Sep;14(9):1112-5. doi: 10.1038/nbt0996-1112. PMID: 9631061.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9631061/,,,,,,248010,Yes,No,Investigational,DB12156,https://go.drugbank.com/drugs/DB12156,
DBoRL159,3-O-methyl-D-Adenosine,2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)-4-methoxyoxolan-3-ol,COC1C(CO)OC(n2cnc3c(N)ncnc32)C1O,"InChI=1/C11H15N5O4/c1-19-8-5(2-17)20-11(7(8)18)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)",RYAFZRROCNNRFK-UHFFFAOYNA-N,C11H15N5O4,Not Found,281.272,-1.447837368,3,8,3,3,Spiegelmer L-A42d RNA (58 mer),3-O-methyl-D-Adenosine has the ability to binds with Spiegelmer L-A42d RNA (58 mer) and highly stabilizes the sequence.,9631061,,,,,,"Klussmann S, Nolte A, Bald R, Erdmann VA, F?rste JP. Mirror-image RNA that binds D-adenosine. Nat Biotechnol. 1996 Sep;14(9):1112-5. doi: 10.1038/nbt0996-1112. PMID: 9631061.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9631061/,,,,,,266056,No,No,,,,
DBoRL160,D-adenosine triphosphate ,"({[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid",Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,"InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)",ZKHQWZAMYRWXGA-UHFFFAOYNA-N,C10H16N5O13P3,Not Found,507.181,-5.425345074,7,14,8,3,Spiegelmer L-A42d RNA (58 mer),D-adenosine triphosphate has the ability to binds with Spiegelmer L-A42d RNA (58 mer) and highly stabilizes the sequence.,9631061,,,,,,"Klussmann S, Nolte A, Bald R, Erdmann VA, F?rste JP. Mirror-image RNA that binds D-adenosine. Nat Biotechnol. 1996 Sep;14(9):1112-5. doi: 10.1038/nbt0996-1112. PMID: 9631061.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9631061/,,,,,,238,Yes,No,Investigational Nutraceutical,DB00171,https://go.drugbank.com/drugs/DB00171,
DBoRL161,D-Cytidine,"4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one",Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1,"InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)",UHDGCWIWMRVCDJ-UHFFFAOYNA-N,C9H13N3O5,Not Found,243.219,-2.797517284,4,7,2,2,Spiegelmer L-A42d RNA (58 mer),D-Cytidine has the ability to binds with Spiegelmer L-A42d RNA (58 mer) and highly stabilizes the sequence.,9631061,,,,,,"Klussmann S, Nolte A, Bald R, Erdmann VA, F?rste JP. Mirror-image RNA that binds D-adenosine. Nat Biotechnol. 1996 Sep;14(9):1112-5. doi: 10.1038/nbt0996-1112. PMID: 9631061.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9631061/,,,,,,596,Yes,No,Experimental,DB02097,https://go.drugbank.com/drugs/DB02097,
DBoRL162,D-Uridine,"1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione",O=c1ccn(C2OC(CO)C(O)C2O)c(=O)[nH]1,"InChI=1/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)",DRTQHJPVMGBUCF-UHFFFAOYNA-N,C9H12N2O6,Not Found,244.203,-2.415242142,4,6,2,2,Spiegelmer L-A42d RNA (58 mer),D-Uridine has the ability to binds with Spiegelmer L-A42d RNA (58 mer) and highly stabilizes the sequence.,9631061,,,,,,"Klussmann S, Nolte A, Bald R, Erdmann VA, F?rste JP. Mirror-image RNA that binds D-adenosine. Nat Biotechnol. 1996 Sep;14(9):1112-5. doi: 10.1038/nbt0996-1112. PMID: 9631061.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9631061/,,,,,,1177,Yes,No,Experimental Investigational,DB02745,https://go.drugbank.com/drugs/DB02745,
DBoRL163,"2,4,5,6-Quinazolinetetramine","quinazoline-2,4,5,6-tetramine",Nc1nc(N)c2c(N)c(N)ccc2n1,"InChI=1S/C8H10N6/c9-3-1-2-4-5(6(3)10)7(11)14-8(12)13-4/h1-2H,9-10H2,(H4,11,12,13,14)",QTMJIODDNNBRTK-UHFFFAOYSA-N,C8H10N6,215182-74-4,190.21,-0.617397726,4,6,0,2,HIV-1 TAR,The compound specifically recognizes Human Immunodeficiency Virus Type 1 TAR RNA. The compound Inhibit Protein-RNA Complex which targets the RNA. ,9760258,,,,,,"Mei, H.-Y., Cui, M., Heldsinger, A., Lemrow, S. M., Loo, J. A., Sannes-Lowery, K. A., ? Czarnik, A. W. (1998). Inhibitors of Protein?RNA Complexation That Target the RNA:? Specific Recognition of Human Immunodeficiency Virus Type 1 TAR RNA by Small Organic Molecules. Biochemistry, 37(40), 14204?14212.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9760258/,,,,,,471148,No,No,,,,
DBoRL164,"6-Nitro-8-(2H-tetrazol-5-yl)-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione","6-nitro-8-(2H-1,2,3,4-tetrazol-5-yl)-1H,2H,3H,4H,7H,8H,9H-cyclopenta[f]quinoxaline-2,3-dione",O=c1[nH]c2cc([N+](=O)[O-])c3c(c2[nH]c1=O)CC(c1nn[nH]n1)C3,"InChI=1/C12H9N7O4/c20-11-12(21)14-9-6-2-4(10-15-17-18-16-10)1-5(6)8(19(22)23)3-7(9)13-11/h3-4H,1-2H2,(H,13,20)(H,14,21)(H,15,16,17,18)",RGJVHEFTAFJDPN-UHFFFAOYNA-N,C12H9N7O4,Not Found,315.249,1.159017713,3,7,2,4,HIV-1 TAR,The compound specifically recognizes Human Immunodeficiency Virus Type 1 TAR RNA. The compound Inhibits Protein-RNA Complex which targets the RNA. ,9760258,,,,,,"Mei, H.-Y., Cui, M., Heldsinger, A., Lemrow, S. M., Loo, J. A., Sannes-Lowery, K. A., ? Czarnik, A. W. (1998). Inhibitors of Protein?RNA Complexation That Target the RNA:? Specific Recognition of Human Immunodeficiency Virus Type 1 TAR RNA by Small Organic Molecules. Biochemistry, 37(40), 14204?14212.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9760258/,,,,,,5481204,No,No,,,,
DBoRL165,Gentamicin C1A,"2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diol",CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CN)CCC3N)C2O)OCC1(C)O,"InChI=1/C19H39N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h8-18,24-27H,3-7,20-23H2,1-2H3",VEGXETMJINRLTH-UHFFFAOYNA-N,C19H39N5O7,Not Found,449.549,-3.986310948,8,12,6,3,Bacterial A-site,"Gentamicin C, is a mixture of three components. Each gentamicin component binds to the ribosome and to RNA oligonucleotide. Gentamicin C1a binds in the major groove of the RNA. Rings I and II of interact with bacterial A site. Ring III of gentamicin, which distinguishes this subclass of aminoglycosides, also directs specific RNA interactions with conserved base pairs. As a result, translational inhibition occurs due to the interaction of gentamycin C and bacterial A site.",9822590,,,,,,"Yoshizawa S, Fourmy D, Puglisi JD. Structural origins of gentamicin antibiotic action. EMBO J. 1998 Nov 16;17(22):6437-48. doi: 10.1093/emboj/17.22.6437. PMID: 9822590; PMCID: PMC1170992.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9822590/,,,,,,582362,Yes,No,Experimental,DB04729,https://go.drugbank.com/drugs/DB04729,
DBoRL166,Mupirocin,"9-{[4-(3,4-dihydroxy-5-{[3-(3-hydroxybutan-2-yl)oxiran-2-yl]methyl}oxan-2-yl)-3-methylbut-2-enoyl]oxy}nonanoic acid",CC(=CC(=O)OCCCCCCCCC(=O)O)CC1OCC(CC2OC2C(C)C(C)O)C(O)C1O,"InChI=1/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)",MINDHVHHQZYEEK-UHFFFAOYNA-N,C26H44O9,Not Found,500.629,2.451325676,4,8,17,2,tRNA,Aminoacyl-tRNA synthetase (aaRS) catalyses the esterification of tRNA with a cognate amino acid. Mupirocin has the ability to compete with aaRS substrate that is tRNA. Due to this competition tRNA becomes unable to binds with aaRS and this way mupirocin interferes with the translation process.,9837850,,,,,,"Schimmel P, Tao J, Hill J. Aminoacyl tRNA synthetases as targets for new anti-infectives. FASEB J. 1998 Dec;12(15):1599-609. PMID: 9837850.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9837850/,,,,,,4264,Yes,Yes,Investigational Vet_approved,DB00410,https://go.drugbank.com/drugs/DB00410,
DBoRL167,Aristololactam-beta-D-glucoside,"14-methoxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.0?,?.0?,??.0??,??]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one",[H]C1(O)C(CO)OC([H])(N2C(=O)C3=C4C2=CC2=C(C=CC=C2OC)C4=C2OCOC2=C3)C([H])(O)C1([H])O,"InChI=1/C23H21NO9/c1-30-13-4-2-3-9-10(13)5-12-16-11(6-14-21(17(9)16)32-8-31-14)22(29)24(12)23-20(28)19(27)18(26)15(7-25)33-23/h2-6,15,18-20,23,25-28H,7-8H2,1H3",GIDCUQKCIZAUKW-UHFFFAOYNA-N,C23H21NO9,Not Found,455.419,-0.01349556,4,9,3,6,RNA triplex: poly(rU)?poly(rA).poly(rU),Aristololactam-beta-D-glucoside is an intercalating alkaloid. The binding affinity of ADG to the DNA triplexes is substantially stronger than to the RNA triplex. ADG stabilizes the Hoogsteen base-paired third strand of the DNA triplexes whereas it destabilizes the same strand of RNA triplex but stabilizes its Watson-Crick strands.,10320353,,,,,,"Ray A, Kumar GS, Das S, Maiti M. Spectroscopic studies on the interaction of aristololactam-beta-D-glucoside with DNA and RNA double and triple helices: A comparative study. Biochemistry. 1999 May 11;38(19):6239-47. doi: 10.1021/bi982128n. PMID: 10320353.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10320353/,,,,,,53462738,No,No,,,,
DBoRL168,Ethidium arginine conjugate 1 ,"3,8-diamino-6-(3-{[5-({2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]ethyl}carbamoyl)pentyl]carbamoyl}phenyl)-5-methylphenanthridin-5-ium",C[n+]1c(-c2cccc(C(=O)NCCCCCC(=O)NCCC(=O)NC(CCCNC(=N)N)C(=O)O)c2)c2cc(N)ccc2c2ccc(N)cc21,"InChI=1/C36H45N9O5/c1-45-30-21-25(38)12-14-27(30)26-13-11-24(37)20-28(26)33(45)22-7-5-8-23(19-22)34(48)42-16-4-2-3-10-31(46)41-18-15-32(47)44-29(35(49)50)9-6-17-43-36(39)40/h5,7-8,11-14,19-21,29,38H,2-4,6,9-10,15-18,37H2,1H3,(H8,39,40,41,42,43,44,46,47,48,49,50)/p+1",VJNVVAPKDPLESC-UHFFFAOYNA-O,C36H46N9O5,Not Found,684.821,-5.262141344,9,10,17,4,Ethidium-arginine con TAR RNA,"HIV-1 TAR RNA functions critically in viral replication by binding the transactivating regulatory protein Tat. Ethidium arginine conjugate 1 inhibits the Tat-TAR interaction, as a result interference occurs with viral replication.",10514274,,,,,,"Peytou V, Condom R, Patino N, Guedj R, Aubertin AM, Gelus N, Bailly C, Terreux R, Cabrol-Bass D. Synthesis and antiviral activity of ethidium-arginine conjugates directed against the TAR RNA of HIV-1. J Med Chem. 1999 Oct 7;42(20):4042-53. doi: 10.1021/jm980728e. PMID: 10514274.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10514274/,,,,,,6328735,No,No,,,,
DBoRL169,Ethidium arginine conjugate 2,"3,8-diamino-6-(3-{[5-({2-[(5-carbamimidamido-1-methoxy-1-oxopentan-2-yl)carbamoyl]ethyl}carbamoyl)pentyl]carbamoyl}phenyl)-5-methylphenanthridin-5-ium",COC(=O)C(CCCNC(=N)N)NC(=O)CCNC(=O)CCCCCNC(=O)c1cccc(-c2c3cc(N)ccc3c3ccc(N)cc3[n+]2C)c1,"InChI=1/C37H47N9O5/c1-46-31-22-26(39)13-15-28(31)27-14-12-25(38)21-29(27)34(46)23-8-6-9-24(20-23)35(49)43-17-5-3-4-11-32(47)42-19-16-33(48)45-30(36(50)51-2)10-7-18-44-37(40)41/h6,8-9,12-15,20-22,30,39H,3-5,7,10-11,16-19,38H2,1-2H3,(H7,40,41,42,43,44,45,47,48,49)/p+1",RAFOQMYQNYZCSW-UHFFFAOYNA-O,C37H48N9O5,Not Found,698.848,-3.840439284,8,9,18,4,Ethidium-arginine con TAR RNA,"HIV-1 TAR RNA functions critically in viral replication by binding the transactivating regulatory protein Tat. Ethidium arginine conjugate 2 inhibits the Tat-TAR interaction, as a result interference occurs with viral replication.",10514274,,,,,,"Peytou V, Condom R, Patino N, Guedj R, Aubertin AM, Gelus N, Bailly C, Terreux R, Cabrol-Bass D. Synthesis and antiviral activity of ethidium-arginine conjugates directed against the TAR RNA of HIV-1. J Med Chem. 1999 Oct 7;42(20):4042-53. doi: 10.1021/jm980728e. PMID: 10514274.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10514274/,,,,,,10605005,No,No,,,,
DBoRL170,Platinum-containing derivative[{PtCl(tmen)}2{HNC13H7(NHCH2CH2)2}]1 (PRPt),,[H:20][N:17]([CH2:22][CH2:23][Pt:1]1([Cl:2])[N:28]([CH3:34])([CH3:35])[CH2:29][CH2:30][N:31]([CH3:32])[CH2:33][CH2:42][N:39]([CH3:43])[CH2:38][CH2:37][N:36]1([CH3:40])[CH3:41])[C:16]1=[CH:15][C:12]2=[N+:11]([H:19])[C:4]3=[CH:6][C:8](=[CH:7][CH:5]=[C:3]3[CH:9]=[C:10]2[CH:13]=[CH:14]1)[N:18]([H:21])[CH2:24][CH2:25][Pt:26]1([Cl:27])[NH:45][CH2:46][CH2:47][N:50]([CH3:52])[CH2:53][CH2:55][N:51]([CH3:54])[CH2:49][CH2:48][NH:44]1,"InChI=1S/C17H17N3.C12H30N4.C8H20N4.2ClH.2Pt/c1-3-18-14-7-5-12-9-13-6-8-15(19-4-2)11-17(13)20-16(12)10-14;1-13(2)7-9-15(5)11-12-16(6)10-8-14(3)4;1-11(5-3-9)7-8-12(2)6-4-10;;;;/h5-11,18-19H,1-4H2;7-12H2,1-6H3;9-10H,3-8H2,1-2H3;2*1H;;/q;;-2;;;+1;+3/p-1",ONNCKQHVDVHDCA-UHFFFAOYSA-M,C37H68Cl2N11Pt2,Not Found,1128.1,,0,0,8,5,double-stranded poly(A),Platinum-containing derivative[{PtCl(tmen)}2{HNC13H7(NHCH2CH2)2}]1 (PRPt) binds with double-stranded poly(A) and work as a intercalating agent.,10545371,,,,,,"Ciatto C, D'Amico ML, Natile G, Secco F, Venturini M. Intercalation of proflavine and a platinum derivative of proflavine into double-helical Poly(A). Biophys J. 1999 Nov;77(5):2717-24. doi: 10.1016/S0006-3495(99)77105-5. PMID: 10545371; PMCID: PMC1300545.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10545371/,,,,,,Not Found,No,No,,,,
DBoRL171,Proflavine (PR),"acridine-3,6-diamine",NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1,"InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2",WDVSHHCDHLJJJR-UHFFFAOYSA-N,C13H11N3,"92-62-6,1811-28-5",209.252,1.848375646,2,3,0,3,double-stranded poly(A),Proflavine (PR) binds with double-stranded poly(A) and work as a intercalating agent.,10545371,,,,,,"Ciatto C, D'Amico ML, Natile G, Secco F, Venturini M. Intercalation of proflavine and a platinum derivative of proflavine into double-helical Poly(A). Biophys J. 1999 Nov;77(5):2717-24. doi: 10.1016/S0006-3495(99)77105-5. PMID: 10545371; PMCID: PMC1300545.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10545371/,,,,,,7099,Yes,Yes,,DB01123,https://go.drugbank.com/drugs/DB01123,
DBoRL172,BePI,"16-[(3-azaniumylpropyl)amino]-5-methoxy-13-methyl-11,15-diazatetracyclo[8.7.0.0?,?.0??,??]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-15-ium",[H]N1C2=C(C3=C1C(C)=C[N+]([H])=C3NCCC[N+]([H])([H])[H])C1=C(C=C2)C=C(OC)C=C1,"InChI=1S/C20H22N4O/c1-12-11-23-20(22-9-3-8-21)18-17-15-6-5-14(25-2)10-13(15)4-7-16(17)24-19(12)18/h4-7,10-11,24H,3,8-9,21H2,1-2H3,(H,22,23)/p+2",ZRXYNJUDISKEAO-UHFFFAOYSA-P,C20H24N4O,Not Found,336.438,2.54865173,4,2,5,4,duplex RNA: poly(rA)-poly(U),BePI selectively binds with poly(rA)-poly(U) sequence of RNA duplex and may stabilize the structure of RNA by increasing the thermal stability.,10587429,,,,,,"Ren J, Chaires JB. Sequence and structural selectivity of nucleic acid binding ligands. Biochemistry. 1999 Dec 7;38(49):16067-75. doi: 10.1021/bi992070s. PMID: 10587429.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10587429/,,,,,,Not Found,No,No,,,,
DBoRL173,BePI,"N1-{5-methoxy-13-methyl-11,15-diazatetracyclo[8.7.0.0?,?.0??,??]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-16-yl}propane-1,3-diamine",COc1ccc2c(ccc3[nH]c4c(C)cnc(NCCCN)c4c32)c1,"InChI=1S/C20H22N4O/c1-12-11-23-20(22-9-3-8-21)18-17-15-6-5-14(25-2)10-13(15)4-7-16(17)24-19(12)18/h4-7,10-11,24H,3,8-9,21H2,1-2H3,(H,22,23)",ZRXYNJUDISKEAO-UHFFFAOYSA-N,C20H22N4O,133712-11-5,334.423,2.54865173,3,4,5,4,poly(rA)-poly(U),BePI selectively binds with poly(rA)-poly(U) sequence of RNA duplex and may stabilize the structure of RNA by increasing the thermal stability.,10587429,,,,,,"Ren J, Chaires JB. Sequence and structural selectivity of nucleic acid binding ligands. Biochemistry. 1999 Dec 7;38(49):16067-75. doi: 10.1021/bi992070s. PMID: 10587429.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10587429/,,,,,,131659,No,No,,,,
DBoRL174,H2 TmPyP [meso-tetrakis(N-methyl-4-pyridyl)porphine],"1-methyl-4-[7,12,17-tris(1-methylpyridin-1-ium-4-yl)-21,22,23,24-tetraazapentacyclo[16.2.1.1?,?.1?,??.1??,??]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]pyridin-1-ium",C[N+]1=CC=C(C=C1)C1=C2\C=CC(=N2)\C(=C2/N\C(\C=C2)=C(/C2=N/C(/C=C2)=C(\C2=CC=C\1N2)C1=CC=[N+](C)C=C1)C1=CC=[N+](C)C=C1)\C1=CC=[N+](C)C=C1,"InChI=1S/C44H37N8/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31/h5-28H,1-4H3,(H,45,46,47,48)/q+3/p+1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-",ABCGFHPGHXSVKI-LWQDQPMZSA-O,C44H38N8,Not Found,678.842,-9.423182477,2,2,4,9,duplex RNA: RNApoly(rA)-poly(U),H2 TmPyP [meso-tetrakis(N-methyl-4-pyridyl)porphine] selectively binds with RNApoly(rA)-poly(U) sequence of RNA duplex and may stabilize the structure of RNA by increasing the thermal stability.,10587429,,,,,,"Ren J, Chaires JB. Sequence and structural selectivity of nucleic acid binding ligands. Biochemistry. 1999 Dec 7;38(49):16067-75. doi: 10.1021/bi992070s. PMID: 10587429.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10587429/,,,,,,4234,No,No,,,,
DBoRL175,H2 TmPyP [meso-tetrakis(N-methyl-4-pyridyl)porphine] ,"1-methyl-4-[7,12,17-tris(1-methylpyridin-1-ium-4-yl)-21,22,23,24-tetraazapentacyclo[16.2.1.1?,?.1?,??.1??,??]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]pyridin-1-ium",C[N+]1=CC=C(C=C1)C1=C2\C=CC(=N2)\C(=C2/N\C(\C=C2)=C(/C2=N/C(/C=C2)=C(\C2=CC=C\1N2)C1=CC=[N+](C)C=C1)C1=CC=[N+](C)C=C1)\C1=CC=[N+](C)C=C1,"InChI=1S/C44H37N8/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31/h5-28H,1-4H3,(H,45,46,47,48)/q+3/p+1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-",ABCGFHPGHXSVKI-LWQDQPMZSA-O,C44H38N8,Not Found,678.842,-9.423182477,2,2,4,9,Single-stranded (dT),H2 TmPyP selectively bind with single-stranded (dT). Please see the reference for more details.,10587429,,,,,,"Ren J, Chaires JB. Sequence and structural selectivity of nucleic acid binding ligands. Biochemistry. 1999 Dec 7;38(49):16067-75. doi: 10.1021/bi992070s. PMID: 10587429.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10587429/,,,,,,4234,No,No,,,,
DBoRL176,Compound 3-3 dimer,"N,N,N-trimethyl-4-{7,12,17-tris[4-(trimethylazaniumyl)phenyl]-21,22,23,24-tetraazapentacyclo[16.2.1.1?,?.1?,??.1??,??]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl}anilinium",C[N+](C)(C)C1=CC=C(C=C1)C1=C2\C=CC(=N2)\C(=C2/N\C(\C=C2)=C(/C2=N/C(/C=C2)=C(\C2=CC=C\1N2)C1=CC=C(C=C1)[N+](C)(C)C)C1=CC=C(C=C1)[N+](C)(C)C)\C1=CC=C(C=C1)[N+](C)(C)C,"InChI=1S/C56H62N8/c1-61(2,3)41-21-13-37(14-22-41)53-45-29-31-47(57-45)54(38-15-23-42(24-16-38)62(4,5)6)49-33-35-51(59-49)56(40-19-27-44(28-20-40)64(10,11)12)52-36-34-50(60-52)55(48-32-30-46(53)58-48)39-17-25-43(26-18-39)63(7,8)9/h13-36,57,60H,1-12H3/q+4/b53-45-,53-46-,54-47-,54-49-,55-48-,55-50-,56-51-,56-52-",JQJYKFBMVNRZDQ-YFLSTINXSA-N,C56H62N8,Not Found,847.166,-4.540202437,2,2,8,9,Single-stranded (dT),The compound selectively bind with single-stranded (dT). Please see the reference for more details.,10587429,,,,,,"Ren J, Chaires JB. Sequence and structural selectivity of nucleic acid binding ligands. Biochemistry. 1999 Dec 7;38(49):16067-75. doi: 10.1021/bi992070s. PMID: 10587429.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10587429/,,,,,,135433388,No,No,,,,
DBoRL177,Neomycin,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2",PGBHMTALBVVCIT-UHFFFAOYNA-N,C23H46N6O13,Not Found,614.65,-8.415177746,13,19,9,4,1EI2 TAU ExON 10 SRE RNA (stem?loop),"Neomycin, a naturally occurring aminoglycoside antibiotic, recognize & bind to RNA stem?loop that regulates alternative splicing of exon 10 within the gene coding for human tau protein.",10637322,,,,,,"Varani L, Spillantini MG, Goedert M, Varani G. Structural basis for recognition of the RNA major groove in the tau exon 10 splicing regulatory element by aminoglycoside antibiotics. Nucleic Acids Res. 2000 Feb 1;28(3):710-9. doi: 10.1093/nar/28.3.710. PMID: 10637322; PMCID: PMC102548.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10637322/,,,,,,4454,Yes,Yes,,DB00452,https://go.drugbank.com/drugs/DB00452,
DBoRL178,DB340,"N'-[3-(dimethylamino)propyl]-2-[5-(4-{N'-[3-(dimethylamino)propyl]carbamimidoyl}phenyl)furan-2-yl]-1H-1,3-benzodiazole-6-carboximidamide",CN(C)CCCN=C(N)c1ccc(-c2ccc(-c3nc4ccc(C(N)=NCCCN(C)C)cc4[nH]3)o2)cc1,"InChI=1S/C29H38N8O/c1-36(2)17-5-15-32-27(30)21-9-7-20(8-10-21)25-13-14-26(38-25)29-34-23-12-11-22(19-24(23)35-29)28(31)33-16-6-18-37(3)4/h7-14,19H,5-6,15-18H2,1-4H3,(H2,30,32)(H2,31,33)(H,34,35)",YWIIYARXKNEYNQ-UHFFFAOYSA-N,C29H38N8O,213972-23-7,514.678,1.113280339,3,7,12,4,HIV-1 RRE,"DB340 dimerizes in the major groove of RRE and forms a very strong complex that depends on the local structure of the groove at the internal loop of RRE. DB340 shows the highest level of selectivity with over a factor of 60 higher concentration required to obtain inhibition of the Tat-TAR complex relative to Rev-RRE. So, it can be said that DB340 and have excellent affinities for RRE. DB340 have a great level of selectivity for RRE relative to other similar RNA tertiary structures, such as TAR, that also bind cationic peptides.",10637358,,,,,,"Wilson, W., & Li, K. (2000). Targeting RNA with Small Molecules. Current Medicinal Chemistry, 7(1), 73?98. doi:10.2174/0929867003375434?",,,,,,https://pubmed.ncbi.nlm.nih.gov/10637358/,,,,,,460172,No,No,,,,
DBoRL179,Biotin,"5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid",O=C(O)CCCCC1SCC2NC(=O)NC21,"InChI=1/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)",YBJHBAHKTGYVGT-UHFFFAOYNA-N,C10H16N2O3S,Not Found,244.31,0.319423648,3,3,5,2,Biotin aptamer (RNA Pseudoknot),"Biotin is bound at the interface between the pseudoknot's stacked helices in a pocket defined almost entirely by base-paired nucleotides. In comparison to the protein avidin, the aptamer packs more tightly around the biotin headgroup and makes fewer contacts with its fatty acid tail. Whereas biotin is deeply buried within the hydrophobic core in the avidin complex, the aptamer relies on a combination of hydrated magnesium ions and immobilized water molecules to surround its ligand.",10698630,,,,,,"Nix J, Sussman D, Wilson C. The 1.3 A crystal structure of a biotin-binding pseudoknot and the basis for RNA molecular recognition. J Mol Biol. 2000 Mar 10;296(5):1235-44. doi: 10.1006/jmbi.2000.3539. PMID: 10698630.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10698630/,,,,,,253,Yes,Yes,Investigational Nutraceutical,DB00121,https://go.drugbank.com/drugs/DB00121,
DBoRL180,Neomycin,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2",PGBHMTALBVVCIT-UHFFFAOYNA-N,C23H46N6O13,Not Found,614.65,-8.415177746,13,19,9,4,1QD3 HIV-1 Tat-responsive RNA: 5'-[GCCAGAUUUGAGCCAGGGUGAUCUCUGGC]-3',Neomycin inhibit Tat (HIV1 transactivator) that binding to TAR (Tat Responsive RNA).,10747964,,,,,,"Faber C, Sticht H, Schweimer K, R?sch P. Structural rearrangements of HIV-1 Tat-responsive RNA upon binding of neomycin B. J Biol Chem. 2000 Jul 7;275(27):20660-6. doi: 10.1074/jbc.M000920200. PMID: 10747964.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10747964/,,,,,,4454,Yes,Yes,,DB00452,https://go.drugbank.com/drugs/DB00452,
DBoRL181,Ribostamycin,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(O)C2O)C(N)C(O)C1O,"InChI=1/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2",NSKGQURZWSPSBC-UHFFFAOYNA-N,C17H34N4O10,Not Found,454.477,-6.430578507,10,14,6,3,1QD3 HIV-1 Tat-responsive RNA GCCAGAUUUGAGCCAGGGUGAUCUCUGGC: 5'-[GCCAGAUUUGAGCCAGGGUGAUCUCUGGC]-3',Ribostamycin bind to TAR (Tat Responsive RNA) which enable another compound named neomycin to inhibit Tat binding to TAR.,10747964,,,,,,"Faber C, Sticht H, Schweimer K, R?sch P. Structural rearrangements of HIV-1 Tat-responsive RNA upon binding of neomycin B. J Biol Chem. 2000 Jul 7;275(27):20660-6. doi: 10.1074/jbc.M000920200. PMID: 10747964.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10747964/,,,,,,5066,Yes,Yes,Experimental,DB03615,https://go.drugbank.com/drugs/DB03615,
DBoRL182,Tobramycin,"2-[(4-amino-6-azaniumyl-3-{[3-azaniumyl-6-(azaniumylmethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-aminium",[H]C1C(O)C(C[N+]([H])([H])[H])OC(OC2C(N)CC(C(OC3OC(CO)C(O)C(C3O)[N+]([H])([H])[H])C2O)[N+]([H])([H])[H])C1[N+]([H])([H])[H],"InChI=1/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/p+4",NLVFBUXFDBBNBW-UHFFFAOYNA-R,C18H41N5O9,Not Found,471.55,-6.477500565,10,10,6,3,poly(rI). poly(rC),"Tobramycin, an aminoglycoside, binds in the poly(rI). poly(rC) sequence of major groove of duplex RNA and enhances the thermal stability.",10756107,,,,,,"Jin E, Katritch V, Olson WK, Kharatisvili M, Abagyan R, Pilch DS. Aminoglycoside binding in the major groove of duplex RNA: the thermodynamic and electrostatic forces that govern recognition. J Mol Biol. 2000 Apr 21;298(1):95-110. doi: 10.1006/jmbi.2000.3639. PMID: 10756107.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10756107/,,,,,,Not Found,Yes,Yes,Investigational,DB00684,https://go.drugbank.com/drugs/DB00684,This is the isomeric form of the drug approved by USFDA.
DBoRL183,Butirosin,"4-amino-N-(3-amino-4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}cyclohexyl)-2-hydroxybutanamide",NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2N)C(OC2OC(CO)C(O)C2O)C1,"InChI=1/C21H41N5O11/c22-2-1-9(28)19(33)26-7-3-8(24)18(37-20-13(25)16(31)14(29)11(5-23)35-20)10(4-7)34-21-17(32)15(30)12(6-27)36-21/h7-18,20-21,27-32H,1-6,22-25H2,(H,26,33)",ZYSZYGIAZHUVKJ-UHFFFAOYNA-N,C21H41N5O11,Not Found,539.583,-7.263753051,11,15,10,3,HIV-1 TAR RNA,"Butirosin, an aminoglycoside, act as potential antitumor agent that target oncogenic RNA sequence.",10760928,,,,,,"Sucheck SJ, Greenberg WA, Tolbert TJ, Wong CH. Design of Small Molecules That Recognize RNA: Development of Aminoglycosides as Potential Antitumor Agents That Target Oncogenic RNA Sequences This work was supported by the NIH. We thank Professor Peter Voght for his suggestion of the oncogenic RNA sequences as targets. Angew Chem Int Ed Engl. 2000 Mar;39(6):1080-1084. doi: 10.1002/(sici)1521-3773(20000317)39:6<1080::aid-anie1080>3.0.co;2-b. PMID: 10760928.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10760928/,,,,,,Not Found,No,No,,,,
DBoRL184,DAPI,[amino(2-{4-[amino(iminiumyl)methyl]phenyl}-1H-indol-6-yl)methylidene]azanium,[H][N+]([H])=C(N)C1=CC=C(C=C1)C1=CC2=C(N1)C=C(C=C2)C(N)=[N+]([H])[H],"InChI=1S/C16H15N5/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13/h1-8,21H,(H3,17,18)(H3,19,20)/p+2",FWBHETKCLVMNFS-UHFFFAOYSA-P,C16H17N5,Not Found,279.346,1.480171243,5,2,3,3,Thymidylate synthetase(TS) stem-loop structure mRNA TS1,DAPI binds to CC bubble region of various stem-loop structure of Thymidylate synthetase (TS) mRNA with a dissociation constant.,10773086,,,,,,"Cho J, Rando RR. Specific binding of Hoechst 33258 to site 1 thymidylate synthase mRNA. Nucleic Acids Res. 2000 May 15;28(10):2158-63. doi: 10.1093/nar/28.10.2158. PMID: 10773086; PMCID: PMC105371.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10773086/,,,,,,6338807,No,No,,,,
DBoRL185,Distamycin A,[1-amino-3-({4-[4-(4-formamido-1-methyl-1H-pyrrole-2-amido)-1-methyl-1H-pyrrole-2-amido]-1-methyl-1H-pyrrol-2-yl}formamido)propylidene]azanium hydrogen,[H].[H][N+]([H])=C(N)CCNC(=O)C1=CC(NC(=O)C2=CC(NC(=O)C3=CC(NC([H])=O)=CN3C)=CN2C)=CN1C,"InChI=1S/C22H27N9O4.H/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24;/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34);/p+1",SFZAHOWBDDCNSQ-UHFFFAOYSA-O,C22H29N9O4,Not Found,483.532,-1.08251162,6,5,9,3,Thymidylate synthetase(TS) stem-loop structure mRNA TS1,Distamycin A binds to CC bubble region of various stem-loop structure of Thymidylate synthetase (TS) mRNA with a dissociation constant.,10773086,,,,,,"Cho J, Rando RR. Specific binding of Hoechst 33258 to site 1 thymidylate synthase mRNA. Nucleic Acids Res. 2000 May 15;28(10):2158-63. doi: 10.1093/nar/28.10.2158. PMID: 10773086; PMCID: PMC105371.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10773086/,,,,,,Not Found,No,No,,,,
DBoRL186,Hoechst 33258,"4-{2-[2-(4-hydroxyphenyl)-1H-1,3-benzodiazol-6-yl]-1H-1,3-benzodiazol-6-yl}-1-methylpiperazin-1-ium",[H][N+]1(C)CCN(CC1)C1=CC2=C(C=C1)N=C(N2)C1=CC2=C(C=C1)N=C(N2)C1=CC=C(O)C=C1,"InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)/p+1",INAAIJLSXJJHOZ-UHFFFAOYSA-O,C25H25N6O,Not Found,425.515,4.122364677,4,4,3,6,Thymidylate synthetase(TS) stem-loop structure mRNA TS1,Hoechst 33258 binds to CC bubble region of various stem-loop structure of Thymidylate synthetase (TS) mRNA with a dissociation constant.,10773086,,,,,,"Cho J, Rando RR. Specific binding of Hoechst 33258 to site 1 thymidylate synthase mRNA. Nucleic Acids Res. 2000 May 15;28(10):2158-63. doi: 10.1093/nar/28.10.2158. PMID: 10773086; PMCID: PMC105371.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10773086/,,,,,,448194,No,No,,,,
DBoRL187,Hoechst 33258,"4-{2-[2-(4-hydroxyphenyl)-1H-1,3-benzodiazol-6-yl]-1H-1,3-benzodiazol-6-yl}-1-methylpiperazin-1-ium",[H][N+]1(C)CCN(CC1)C1=CC2=C(C=C1)N=C(N2)C1=CC2=C(C=C1)N=C(N2)C1=CC=C(O)C=C1,"InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)/p+1",INAAIJLSXJJHOZ-UHFFFAOYSA-O,C25H25N6O,Not Found,425.515,4.122364677,4,4,3,6,Thymidylate synthetase(TS) stem-loop structure mRNA TS2,Hoechst 33258 binds to CC bubble region of various stem-loop structure of Thymidylate synthetase (TS) mRNA with a dissociation constant.,10773086,,,,,,"Cho J, Rando RR. Specific binding of Hoechst 33258 to site 1 thymidylate synthase mRNA. Nucleic Acids Res. 2000 May 15;28(10):2158-63. doi: 10.1093/nar/28.10.2158. PMID: 10773086; PMCID: PMC105371.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10773086/,,,,,,448194,No,No,,,,
DBoRL188,Hoechst 33258,"4-{2-[2-(4-hydroxyphenyl)-1H-1,3-benzodiazol-6-yl]-1H-1,3-benzodiazol-6-yl}-1-methylpiperazin-1-ium",[H][N+]1(C)CCN(CC1)C1=CC2=C(C=C1)N=C(N2)C1=CC2=C(C=C1)N=C(N2)C1=CC=C(O)C=C1,"InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)/p+1",INAAIJLSXJJHOZ-UHFFFAOYSA-O,C25H25N6O,Not Found,425.515,4.122364677,4,4,3,6,Thymidylate synthetase(TS) stem-loop structure mRNA TS3,Hoechst 33258 binds to CC bubble region of various stem-loop structure of Thymidylate synthetase (TS) mRNA with a dissociation constant.,10773086,,,,,,"Cho J, Rando RR. Specific binding of Hoechst 33258 to site 1 thymidylate synthase mRNA. Nucleic Acids Res. 2000 May 15;28(10):2158-63. doi: 10.1093/nar/28.10.2158. PMID: 10773086; PMCID: PMC105371.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10773086/,,,,,,448194,No,No,,,,
DBoRL189,Hoechst 33258,"4-{2-[2-(4-hydroxyphenyl)-1H-1,3-benzodiazol-6-yl]-1H-1,3-benzodiazol-6-yl}-1-methylpiperazin-1-ium",[H][N+]1(C)CCN(CC1)C1=CC2=C(C=C1)N=C(N2)C1=CC2=C(C=C1)N=C(N2)C1=CC=C(O)C=C1,"InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)/p+1",INAAIJLSXJJHOZ-UHFFFAOYSA-O,C25H25N6O,Not Found,425.515,4.122364677,4,4,3,6,Thymidylate synthetase(TS) stem-loop structure mRNA TS4,Hoechst 33258 binds to CC bubble region of various stem-loop structure of Thymidylate synthetase (TS) mRNA with a dissociation constant.,10773086,,,,,,"Cho J, Rando RR. Specific binding of Hoechst 33258 to site 1 thymidylate synthase mRNA. Nucleic Acids Res. 2000 May 15;28(10):2158-63. doi: 10.1093/nar/28.10.2158. PMID: 10773086; PMCID: PMC105371.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10773086/,,,,,,448194,No,No,,,,
DBoRL190,Hoechst 33258,"4-{2-[2-(4-hydroxyphenyl)-1H-1,3-benzodiazol-6-yl]-1H-1,3-benzodiazol-6-yl}-1-methylpiperazin-1-ium",[H][N+]1(C)CCN(CC1)C1=CC2=C(C=C1)N=C(N2)C1=CC2=C(C=C1)N=C(N2)C1=CC=C(O)C=C1,"InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)/p+1",INAAIJLSXJJHOZ-UHFFFAOYSA-O,C25H25N6O,Not Found,425.515,4.122364677,4,4,3,6,Thymidylate synthetase(TS) stem-loop structure mRNA TS5,Hoechst 33258 binds to CC bubble region of various stem-loop structure of Thymidylate synthetase (TS) mRNA with a dissociation constant.,10773086,,,,,,"Cho J, Rando RR. Specific binding of Hoechst 33258 to site 1 thymidylate synthase mRNA. Nucleic Acids Res. 2000 May 15;28(10):2158-63. doi: 10.1093/nar/28.10.2158. PMID: 10773086; PMCID: PMC105371.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10773086/,,,,,,448194,No,No,,,,
DBoRL191,Hoechst 33258,"4-{2-[2-(4-hydroxyphenyl)-1H-1,3-benzodiazol-6-yl]-1H-1,3-benzodiazol-6-yl}-1-methylpiperazin-1-ium",[H][N+]1(C)CCN(CC1)C1=CC2=C(C=C1)N=C(N2)C1=CC2=C(C=C1)N=C(N2)C1=CC=C(O)C=C1,"InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)/p+1",INAAIJLSXJJHOZ-UHFFFAOYSA-O,C25H25N6O,Not Found,425.515,4.122364677,4,4,3,6,Thymidylate synthetase(TS) stem-loop structure mRNA TS6,Hoechst 33258 binds to CC bubble region of various stem-loop structure of Thymidylate synthetase (TS) mRNA with a dissociation constant.,10773086,,,,,,"Cho J, Rando RR. Specific binding of Hoechst 33258 to site 1 thymidylate synthase mRNA. Nucleic Acids Res. 2000 May 15;28(10):2158-63. doi: 10.1093/nar/28.10.2158. PMID: 10773086; PMCID: PMC105371.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10773086/,,,,,,448194,No,No,,,,
DBoRL192,Hoechst 33258,"4-{2-[2-(4-hydroxyphenyl)-1H-1,3-benzodiazol-6-yl]-1H-1,3-benzodiazol-6-yl}-1-methylpiperazin-1-ium",[H][N+]1(C)CCN(CC1)C1=CC2=C(C=C1)N=C(N2)C1=CC2=C(C=C1)N=C(N2)C1=CC=C(O)C=C1,"InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)/p+1",INAAIJLSXJJHOZ-UHFFFAOYSA-O,C25H25N6O,Not Found,425.515,4.122364677,4,4,3,6,Thymidylate synthetase(TS) stem-loop structure mRNA TS7,Hoechst 33258 binds to CC bubble region of various stem-loop structure of Thymidylate synthetase (TS) mRNA with a dissociation constant.,10773086,,,,,,"Cho J, Rando RR. Specific binding of Hoechst 33258 to site 1 thymidylate synthase mRNA. Nucleic Acids Res. 2000 May 15;28(10):2158-63. doi: 10.1093/nar/28.10.2158. PMID: 10773086; PMCID: PMC105371.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10773086/,,,,,,448194,No,No,,,,
DBoRL193,Hoechst 33258,"4-{2-[2-(4-hydroxyphenyl)-1H-1,3-benzodiazol-6-yl]-1H-1,3-benzodiazol-6-yl}-1-methylpiperazin-1-ium",[H][N+]1(C)CCN(CC1)C1=CC2=C(C=C1)N=C(N2)C1=CC2=C(C=C1)N=C(N2)C1=CC=C(O)C=C1,"InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)/p+1",INAAIJLSXJJHOZ-UHFFFAOYSA-O,C25H25N6O,Not Found,425.515,4.122364677,4,4,3,6,Thymidylate synthetase(TS) stem-loop structure mRNA TS8,Hoechst 33258 binds to CC bubble region of various stem-loop structure of Thymidylate synthetase (TS) mRNA with a dissociation constant.,10773086,,,,,,"Cho J, Rando RR. Specific binding of Hoechst 33258 to site 1 thymidylate synthase mRNA. Nucleic Acids Res. 2000 May 15;28(10):2158-63. doi: 10.1093/nar/28.10.2158. PMID: 10773086; PMCID: PMC105371.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10773086/,,,,,,448194,No,No,,,,
DBoRL194,Hoechst 33258,"4-{2-[2-(4-hydroxyphenyl)-1H-1,3-benzodiazol-6-yl]-1H-1,3-benzodiazol-6-yl}-1-methylpiperazin-1-ium",[H][N+]1(C)CCN(CC1)C1=CC2=C(C=C1)N=C(N2)C1=CC2=C(C=C1)N=C(N2)C1=CC=C(O)C=C1,"InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)/p+1",INAAIJLSXJJHOZ-UHFFFAOYSA-O,C25H25N6O,Not Found,425.515,4.122364677,4,4,3,6,Thymidylate synthetase(TS) stem-loop structure mRNA TS9,Hoechst 33258 binds to CC bubble region of various stem-loop structure of Thymidylate synthetase (TS) mRNA with a dissociation constant.,10773086,,,,,,"Cho J, Rando RR. Specific binding of Hoechst 33258 to site 1 thymidylate synthase mRNA. Nucleic Acids Res. 2000 May 15;28(10):2158-63. doi: 10.1093/nar/28.10.2158. PMID: 10773086; PMCID: PMC105371.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10773086/,,,,,,448194,No,No,,,,
DBoRL195,Hoechst 33258,"4-{2-[2-(4-hydroxyphenyl)-1H-1,3-benzodiazol-6-yl]-1H-1,3-benzodiazol-6-yl}-1-methylpiperazin-1-ium",[H][N+]1(C)CCN(CC1)C1=CC2=C(C=C1)N=C(N2)C1=CC2=C(C=C1)N=C(N2)C1=CC=C(O)C=C1,"InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)/p+1",INAAIJLSXJJHOZ-UHFFFAOYSA-O,C25H25N6O,Not Found,425.515,4.122364677,4,4,3,6,Thymidylate synthetase(TS) stem-loop structure mRNA TS10,Hoechst 33258 binds to CC bubble region of various stem-loop structure of Thymidylate synthetase (TS) mRNA with a dissociation constant.,10773086,,,,,,"Cho J, Rando RR. Specific binding of Hoechst 33258 to site 1 thymidylate synthase mRNA. Nucleic Acids Res. 2000 May 15;28(10):2158-63. doi: 10.1093/nar/28.10.2158. PMID: 10773086; PMCID: PMC105371.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10773086/,,,,,,448194,No,No,,,,
DBoRL196,Hoechst 33258,"4-{2-[2-(4-hydroxyphenyl)-1H-1,3-benzodiazol-6-yl]-1H-1,3-benzodiazol-6-yl}-1-methylpiperazin-1-ium",[H][N+]1(C)CCN(CC1)C1=CC2=C(C=C1)N=C(N2)C1=CC2=C(C=C1)N=C(N2)C1=CC=C(O)C=C1,"InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)/p+1",INAAIJLSXJJHOZ-UHFFFAOYSA-O,C25H25N6O,Not Found,425.515,4.122364677,4,4,3,6,Thymidylate synthetase(TS) stem-loop structure mRNA TS11,Hoechst 33258 binds to CC bubble region of various stem-loop structure of Thymidylate synthetase (TS) mRNA with a dissociation constant.,10773086,,,,,,"Cho J, Rando RR. Specific binding of Hoechst 33258 to site 1 thymidylate synthase mRNA. Nucleic Acids Res. 2000 May 15;28(10):2158-63. doi: 10.1093/nar/28.10.2158. PMID: 10773086; PMCID: PMC105371.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10773086/,,,,,,448194,No,No,,,,
DBoRL197,Hoechst 33258,"4-{2-[2-(4-hydroxyphenyl)-1H-1,3-benzodiazol-6-yl]-1H-1,3-benzodiazol-6-yl}-1-methylpiperazin-1-ium",[H][N+]1(C)CCN(CC1)C1=CC2=C(C=C1)N=C(N2)C1=CC2=C(C=C1)N=C(N2)C1=CC=C(O)C=C1,"InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)/p+1",INAAIJLSXJJHOZ-UHFFFAOYSA-O,C25H25N6O,Not Found,425.515,4.122364677,4,4,3,6,Thymidylate synthetase(TS) stem-loop structure mRNA TS12,Hoechst 33258 binds to CC bubble region of various stem-loop structure of Thymidylate synthetase (TS) mRNA with a dissociation constant.,10773086,,,,,,"Cho J, Rando RR. Specific binding of Hoechst 33258 to site 1 thymidylate synthase mRNA. Nucleic Acids Res. 2000 May 15;28(10):2158-63. doi: 10.1093/nar/28.10.2158. PMID: 10773086; PMCID: PMC105371.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10773086/,,,,,,448194,No,No,,,,
DBoRL198,Hoechst 33258,"4-{2-[2-(4-hydroxyphenyl)-1H-1,3-benzodiazol-6-yl]-1H-1,3-benzodiazol-6-yl}-1-methylpiperazin-1-ium",[H][N+]1(C)CCN(CC1)C1=CC2=C(C=C1)N=C(N2)C1=CC2=C(C=C1)N=C(N2)C1=CC=C(O)C=C1,"InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)/p+1",INAAIJLSXJJHOZ-UHFFFAOYSA-O,C25H25N6O,Not Found,425.515,4.122364677,4,4,3,6,Thymidylate synthetase(TS) stem-loop structure mRNA TS13,Hoechst 33258 binds to CC bubble region of various stem-loop structure of Thymidylate synthetase (TS) mRNA with a dissociation constant.,10773086,,,,,,"Cho J, Rando RR. Specific binding of Hoechst 33258 to site 1 thymidylate synthase mRNA. Nucleic Acids Res. 2000 May 15;28(10):2158-63. doi: 10.1093/nar/28.10.2158. PMID: 10773086; PMCID: PMC105371.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10773086/,,,,,,448194,No,No,,,,
DBoRL199,Hoechst 33258,"4-{2-[2-(4-hydroxyphenyl)-1H-1,3-benzodiazol-6-yl]-1H-1,3-benzodiazol-6-yl}-1-methylpiperazin-1-ium",[H][N+]1(C)CCN(CC1)C1=CC2=C(C=C1)N=C(N2)C1=CC2=C(C=C1)N=C(N2)C1=CC=C(O)C=C1,"InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)/p+1",INAAIJLSXJJHOZ-UHFFFAOYSA-O,C25H25N6O,Not Found,425.515,4.122364677,4,4,3,6,Thymidylate synthetase(TS) stem-loop structure mRNA TS14,Hoechst 33258 binds to CC bubble region of various stem-loop structure of Thymidylate synthetase (TS) mRNA with a dissociation constant.,10773086,,,,,,"Cho J, Rando RR. Specific binding of Hoechst 33258 to site 1 thymidylate synthase mRNA. Nucleic Acids Res. 2000 May 15;28(10):2158-63. doi: 10.1093/nar/28.10.2158. PMID: 10773086; PMCID: PMC105371.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10773086/,,,,,,448194,No,No,,,,
DBoRL200,Neomycin B,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",[H]N([H])CC1OC(OC2C(CO)OC(OC3C(O)C(CC(N([H])[H])C3OC3OC(CN([H])[H])C(O)C(O)C3N([H])[H])N([H])[H])C2O)C(N)C(O)C1O,"InChI=1/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2",PGBHMTALBVVCIT-UHFFFAOYNA-N,C23H46N6O13,Not Found,614.65,-8.415177746,13,19,9,4,Thymidylate synthetase(TS) stem-loop structure mRNA TS1,Neomycin B binds to CC bubble region of various stem-loop structure of Thymidylate synthetase (TS) mRNA with a dissociation constant.,10773086,,,,,,"Cho J, Rando RR. Specific binding of Hoechst 33258 to site 1 thymidylate synthase mRNA. Nucleic Acids Res. 2000 May 15;28(10):2158-63. doi: 10.1093/nar/28.10.2158. PMID: 10773086; PMCID: PMC105371.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10773086/,,,,,,4454,Yes,Yes,,DB00452,https://go.drugbank.com/drugs/DB00452,
DBoRL201,Proflavine,"3,6-diaminoacridin-10-ium",[H][N+]1=C2C=C(N)C=CC2=CC2=CC=C(N)C=C12,"InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2/p+1",WDVSHHCDHLJJJR-UHFFFAOYSA-O,C13H12N3,Not Found,210.259,1.848375646,3,2,0,3,Thymidylate synthetase(TS) stem-loop structure mRNA TS1,Proflavine binds to CC bubble region of various stem-loop structure of Thymidylate synthetase (TS) mRNA with a dissociation constant.,10773086,,,,,,"Cho J, Rando RR. Specific binding of Hoechst 33258 to site 1 thymidylate synthase mRNA. Nucleic Acids Res. 2000 May 15;28(10):2158-63. doi: 10.1093/nar/28.10.2158. PMID: 10773086; PMCID: PMC105371.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10773086/,,,,,,2724055,Yes,Yes,,DB01123,https://go.drugbank.com/drugs/DB01123,This is the isomeric form of the drug approved by USFDA.
DBoRL202,Quinacrine,6-chloro-9-{[5-(diethylamino)pentan-2-yl]amino}-2-methoxyacridin-10-ium,[H][N+]1=C2C=CC(OC)=CC2=C(NC(C)CCCN(CC)CC)C2=CC=C(Cl)C=C12,"InChI=1/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)/p+1",GPKJTRJOBQGKQK-UHFFFAOYNA-O,C23H31ClN3O,Not Found,400.97,5.151536958,2,3,9,3,Thymidylate synthetase(TS) stem-loop structure mRNA TS1,Quinacrine binds to CC bubble region of various stem-loop structure of Thymidylate synthetase (TS) mRNA with a dissociation constant.,10773086,,,,,,"Cho J, Rando RR. Specific binding of Hoechst 33258 to site 1 thymidylate synthase mRNA. Nucleic Acids Res. 2000 May 15;28(10):2158-63. doi: 10.1093/nar/28.10.2158. PMID: 10773086; PMCID: PMC105371.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10773086/,,,,,,44392927,Yes,No,Investigational,DB01103,https://go.drugbank.com/drugs/DB01103,This is the isomeric form of the drug approved by USFDA.
DBoRL203,Stallimycin,N-(2-carbamimidoylethyl)-4-[4-(4-formamido-1-methyl-1H-pyrrole-2-amido)-1-methyl-1H-pyrrole-2-amido]-1-methyl-1H-pyrrole-2-carboxamide,Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)cc1C(=O)NCCC(=N)N,"InChI=1S/C22H27N9O4/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34)",UPBAOYRENQEPJO-UHFFFAOYSA-N,C22H27N9O4,"636-47-5,39389-47-4",481.517,-1.08251162,6,6,9,3,Thymidylate synthetase(TS) stem-loop structure mRNA TS1,The translational initiation codon in thymidylate synthetase (TS) mRNA is located in a stem-loop structure with a CC bubble. Stallimycin specifically binds with thymidylate synthetase (TS) stem-loop structure mRNA and interferes in translation process.,10773086,,,,,,"Cho J, Rando RR. Specific binding of Hoechst 33258 to site 1 thymidylate synthase mRNA. Nucleic Acids Res. 2000 May 15;28(10):2158-63. doi: 10.1093/nar/28.10.2158. PMID: 10773086; PMCID: PMC105371.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10773086/,,,,,,3115,No,No,,,,
DBoRL204,DL-Dopa,"2-amino-3-(3,4-dihydroxyphenyl)propanoic acid",NC(Cc1ccc(O)c(O)c1)C(=O)O,"InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)",WTDRDQBEARUVNC-UHFFFAOYNA-N,C9H11NO4,Not Found,197.19,-1.792181451,4,5,3,1,RNA aptamer,This specific RNA aptamer molecularly recognises and binds with DL-Dopa.,10786843,,,,,,"Mannironi C, Scerch C, Fruscoloni P, Tocchini-Valentini GP. Molecular recognition of amino acids by RNA aptamers: the evolution into an L-tyrosine binder of a dopamine-binding RNA motif. RNA. 2000 Apr;6(4):520-7. doi: 10.1017/s1355838200991763. PMID: 10786843; PMCID: PMC1369933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10786843/,,,,,,836,Yes,Yes,,DB01235,https://go.drugbank.com/drugs/DB01235,
DBoRL205,DL-Phenylalanine,2-amino-3-phenylpropanoic acid,NC(Cc1ccccc1)C(=O)O,"InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)",COLNVLDHVKWLRT-UHFFFAOYNA-N,C9H11NO2,Not Found,165.192,-1.184438469,2,3,3,1,RNA aptamer,This specific RNA aptamer molecularly recognises and binds with DL-Phenylalanine.,10786843,,,,,,"Mannironi C, Scerch C, Fruscoloni P, Tocchini-Valentini GP. Molecular recognition of amino acids by RNA aptamers: the evolution into an L-tyrosine binder of a dopamine-binding RNA motif. RNA. 2000 Apr;6(4):520-7. doi: 10.1017/s1355838200991763. PMID: 10786843; PMCID: PMC1369933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10786843/,,,,,,994,Yes,No,experimemtal,DB02556,https://go.drugbank.com/drugs/DB02556,
DBoRL206,DL-Tryptophan,2-amino-3-(1H-indol-3-yl)propanoic acid,NC(Cc1c[nH]c2ccccc12)C(=O)O,"InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)",QIVBCDIJIAJPQS-UHFFFAOYNA-N,C11H12N2O2,Not Found,204.229,-1.085456914,3,3,3,2,RNA aptamer,This specific RNA aptamer molecularly recognises and binds with DL-Tryptophan.,10786843,,,,,,"Mannironi C, Scerch C, Fruscoloni P, Tocchini-Valentini GP. Molecular recognition of amino acids by RNA aptamers: the evolution into an L-tyrosine binder of a dopamine-binding RNA motif. RNA. 2000 Apr;6(4):520-7. doi: 10.1017/s1355838200991763. PMID: 10786843; PMCID: PMC1369933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10786843/,,,,,,1148,Yes,No,experimemtal,DB03225,https://go.drugbank.com/drugs/DB03225,
DBoRL207,DL-Tyrosine,2-amino-3-(4-hydroxyphenyl)propanoic acid,NC(Cc1ccc(O)cc1)C(=O)O,"InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)",OUYCCCASQSFEME-UHFFFAOYNA-N,C9H11NO3,Not Found,181.191,-1.488594037,3,4,3,1,RNA aptamer,This specific RNA aptamer molecularly recognises and binds with DL-Tyrosine.,10786843,,,,,,"Mannironi C, Scerch C, Fruscoloni P, Tocchini-Valentini GP. Molecular recognition of amino acids by RNA aptamers: the evolution into an L-tyrosine binder of a dopamine-binding RNA motif. RNA. 2000 Apr;6(4):520-7. doi: 10.1017/s1355838200991763. PMID: 10786843; PMCID: PMC1369933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10786843/,,,,,,1153,Yes,No,experimemtal,DB03839,https://go.drugbank.com/drugs/DB03839,
DBoRL208,Dopamine,"4-(2-aminoethyl)benzene-1,2-diol",NCCc1ccc(O)c(O)c1,"InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2",VYFYYTLLBUKUHU-UHFFFAOYSA-N,C8H11NO2,"51-61-6,86389-83-5,50444-17-2",153.181,0.194846135,3,3,2,1,RNA aptamer,This specific RNA aptamer molecularly recognises and binds with Dopamine.,10786843,,,,,,"Mannironi C, Scerch C, Fruscoloni P, Tocchini-Valentini GP. Molecular recognition of amino acids by RNA aptamers: the evolution into an L-tyrosine binder of a dopamine-binding RNA motif. RNA. 2000 Apr;6(4):520-7. doi: 10.1017/s1355838200991763. PMID: 10786843; PMCID: PMC1369933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10786843/,,,,,,681,Yes,Yes,,DB00988,https://go.drugbank.com/drugs/DB00988,
DBoRL209,D-Tyrosine,2-amino-3-(4-hydroxyphenyl)propanoic acid,NC(Cc1ccc(O)cc1)C(=O)O,"InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)",OUYCCCASQSFEME-UHFFFAOYNA-N,C9H11NO3,Not Found,181.191,-1.488594037,3,4,3,1,RNA aptamer,This specific RNA aptamer molecularly recognises and binds with D-Tyrosine.,10786843,,,,,,"Mannironi C, Scerch C, Fruscoloni P, Tocchini-Valentini GP. Molecular recognition of amino acids by RNA aptamers: the evolution into an L-tyrosine binder of a dopamine-binding RNA motif. RNA. 2000 Apr;6(4):520-7. doi: 10.1017/s1355838200991763. PMID: 10786843; PMCID: PMC1369933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10786843/,,,,,,1153,Yes,No,experimemtal,DB03839,https://go.drugbank.com/drugs/DB03839,
DBoRL210,O(4)-Phosphotyrosine,2-amino-3-[4-(phosphonooxy)phenyl]propanoic acid,NC(Cc1ccc(OP(=O)(O)O)cc1)C(=O)O,"InChI=1/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)",DCWXELXMIBXGTH-UHFFFAOYNA-N,C9H12NO6P,Not Found,261.17,-1.133656498,4,6,5,1,RNA aptamer,This specific RNA aptamer molecularly recognises and binds with O(4)-Phosphotyrosine.,10786843,,,,,,"Mannironi C, Scerch C, Fruscoloni P, Tocchini-Valentini GP. Molecular recognition of amino acids by RNA aptamers: the evolution into an L-tyrosine binder of a dopamine-binding RNA motif. RNA. 2000 Apr;6(4):520-7. doi: 10.1017/s1355838200991763. PMID: 10786843; PMCID: PMC1369933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10786843/,,,,,,4589477,Yes,Yes,experimemtal,DB01962,https://go.drugbank.com/drugs/DB01962,
DBoRL211,Tyramine,4-(2-aminoethyl)phenol,NCCc1ccc(O)cc1,"InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2",DZGWFCGJZKJUFP-UHFFFAOYSA-N,C8H11NO,51-67-2,137.182,0.604889991,2,2,2,1,RNA aptamer,This specific RNA aptamer molecularly recognises and binds with Tyramine.,10786843,,,,,,"Mannironi C, Scerch C, Fruscoloni P, Tocchini-Valentini GP. Molecular recognition of amino acids by RNA aptamers: the evolution into an L-tyrosine binder of a dopamine-binding RNA motif. RNA. 2000 Apr;6(4):520-7. doi: 10.1017/s1355838200991763. PMID: 10786843; PMCID: PMC1369933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10786843/,,,,,,5610,Yes,No,Investigational Nutraceutical,DB08841,https://go.drugbank.com/drugs/DB08841,
DBoRL212,Rubratope-60,"cobalt(3+) iminomethanide {[5-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}[(1-{3-[8,13,18-tris(2-carbamoylethyl)-3,14,19-tris(carbamoylmethyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1?,?.1?,??.1??,??]tricosa-5(23),6,10(22),11,15,17(20)-hexaen-4-yl]propanamido}propan-2-yl)oxy]phosphinic acid",CC1=C2N=C(C=C3NC(=C(C)C4=NC(C)(C5N=C1C(C)(CCC(=O)NCC(C)OP(=O)(O)OC1C(CO)OC(n6cnc7cc(C)c(C)cc76)C1O)C5CC(N)=O)C(C)(CC(N)=O)C4CCC(N)=O)C(C)(CC(N)=O)C3CCC(N)=O)C(C)(C)C2CCC(N)=O.[C-]#N.[Co+3],"InChI=1/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,71,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);;/q;-1;+3",XUDVUPCJABBMOB-UHFFFAOYNA-N,C63H90CoN14O14P,Not Found,1357.4,-2.119320446,11,17,26,8,Aptamer,RNA aptamer binds with rubratope-60 and due to this binding RNA structure becomes more stable.,10903943,,,,,,"Sussman D, Wilson C. A water channel in the core of the vitamin B(12) RNA aptamer. Structure. 2000 Jul 15;8(7):719-27. doi: 10.1016/s0969-2126(00)00159-3. PMID: 10903943.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10903943/,,,,,,78401080,No,No,,,,
DBoRL213,Minocycline,"4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide",CN(C)c1ccc(O)c2c1CC1CC3C(N(C)C)C(=O)C(C(N)=O)=C(O)C3(O)C(=O)C1=C2O,"InChI=1/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27-28,31,33H,7-8H2,1-4H3,(H2,24,32)",FFTVPQUHLQBXQZ-UHFFFAOYNA-N,C23H27N3O7,Not Found,457.483,-3.293808506,5,9,3,4,Small subunit,"Minocycline act by inhibiting protein translation in bacteria, presumably by binding to the 30S ribosomal subunit and blocking entry of amino-acyl transfer RNA molecules into the A site of the ribosome. This prevents incorporation of amino acid residues into elongating peptide chains.",11001329,,,,,,"Projan SJ. Preclinical pharmacology of GAR-936, a novel glycylcycline antibacterial agent. Pharmacotherapy. 2000 Sep;20(9 Pt 2):219S-223S; discussion 224S-228S. doi: 10.1592/phco.20.14.219s.35046. PMID: 11001329.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11001329/,,,,,,54687237,Yes,Yes,Investigational,DB01017,https://go.drugbank.com/drugs/DB01017,This is the isomeric form of the drug approved by USFDA.
DBoRL214,Spectinomycin,"8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.0?,?]tetradecan-7-one",CNC1C(O)C(NC)C2OC3(O)C(=O)CC(C)OC3OC2C1O,"InChI=1/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3",UNFWWIHTNXNPBV-UHFFFAOYNA-N,C14H24N2O7,Not Found,332.353,-2.244345432,5,9,2,3,30S Ribosomal Subunit,"Spectinomycin is an antibiotic that interact with bacterial 30S ribosomal subunit, which interfere with decoding and translocation.",11014183,,,,,,"Carter AP, Clemons WM, Brodersen DE, Morgan-Warren RJ, Wimberly BT, Ramakrishnan V. Functional insights from the structure of the 30S ribosomal subunit and its interactions with antibiotics. Nature. 2000 Sep 21;407(6802):340-8. doi: 10.1038/35030019. PMID: 11014183.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11014183/,,,,,,2021,Yes,Yes,Investigational Vet_approved,DB00919,https://go.drugbank.com/drugs/DB00919,
DBoRL215,Hygromycin B,"4-{[3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy}-6'-(1-amino-2-hydroxyethyl)-6-(hydroxymethyl)-tetrahydro-3aH-spiro[[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5',7-tetrol",CNC1CC(N)C(O)C(OC2OC(CO)C(O)C3OC4(OC(C(N)CO)C(O)C(O)C4O)OC23)C1O,"InChI=1/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3",GRRNUXAQVGOGFE-UHFFFAOYNA-N,C20H37N3O13,Not Found,527.524,-6.371839093,11,16,6,4,30S Ribosomal subunit,"Hygromycin B (HygB) is an antibiotic compound that binds to 30S ribosomal subunit. HygB has a single binding site within the 30S where the compound bind & for this binding, a monophasic effect occurs on translation.",11163189,,,,,,"Brodersen DE, Clemons WM Jr, Carter AP, Morgan-Warren RJ, Wimberly BT, Ramakrishnan V. The structural basis for the action of the antibiotics tetracycline, pactamycin, and hygromycin B on the 30S ribosomal subunit. Cell. 2000 Dec 22;103(7):1143-54. doi: 10.1016/s0092-8674(00)00216-6. PMID: 11163189.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11163189/,,,,,,3659,Yes,No,Vet_approved,DB11520,https://go.drugbank.com/drugs/DB11520,
DBoRL216,Pactamycin,"{5-[(3-acetylphenyl)amino]-4-amino-3-[(dimethylcarbamoyl)amino]-1,2-dihydroxy-3-(1-hydroxyethyl)-2-methylcyclopentyl}methyl 2-hydroxy-6-methylbenzoate",CC(=O)c1cccc(NC2C(N)C(NC(=O)N(C)C)(C(C)O)C(C)(O)C2(O)COC(=O)c2c(C)cccc2O)c1,"InChI=1/C28H38N4O8/c1-15-9-7-12-20(35)21(15)24(36)40-14-27(39)23(30-19-11-8-10-18(13-19)16(2)33)22(29)28(17(3)34,26(27,4)38)31-25(37)32(5)6/h7-13,17,22-23,30,34-35,38-39H,14,29H2,1-6H3,(H,31,37)",WVIUOSJLUCTGFK-UHFFFAOYNA-N,C28H38N4O8,Not Found,558.632,0.609104441,7,9,9,3,30S Ribosomal subunit,"Pactamycin is an antibiotic compound that binds to 30S ribosomal subunit. The compound has a single binding site within the 30S where the compound bind & for this binding, a monophasic effect occurs on translation.",11163189,,,,,,"Brodersen DE, Clemons WM Jr, Carter AP, Morgan-Warren RJ, Wimberly BT, Ramakrishnan V. The structural basis for the action of the antibiotics tetracycline, pactamycin, and hygromycin B on the 30S ribosomal subunit. Cell. 2000 Dec 22;103(7):1143-54. doi: 10.1016/s0092-8674(00)00216-6. PMID: 11163189.
",,,,,,https://pubmed.ncbi.nlm.nih.gov/11163189/,,,,,,413861,No,No,,,,
DBoRL217,Tetracycline,"4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide",CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)cccc4C(C)(O)C3CC12,"InChI=1/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25-26,29,31-32H,7H2,1-3H3,(H2,23,30)",NWXMGUDVXFXRIG-UHFFFAOYNA-N,C22H24N2O8,Not Found,444.44,-3.820200767,6,9,2,4,30S Ribosomal subunit,"Tetracycline is an antibiotic compound that binds to 30S ribosomal subunit. The compound has a single binding site within the 30S where the compound bind & for this binding, a monophasic effect occurs on translation.",11163189,,,,,,"Brodersen DE, Clemons WM Jr, Carter AP, Morgan-Warren RJ, Wimberly BT, Ramakrishnan V. The structural basis for the action of the antibiotics tetracycline, pactamycin, and hygromycin B on the 30S ribosomal subunit. Cell. 2000 Dec 22;103(7):1143-54. doi: 10.1016/s0092-8674(00)00216-6. PMID: 11163189.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11163189/,,,,,,54685734,Yes,Yes,Vet_approved,DB00759,https://go.drugbank.com/drugs/DB00759,This is the isomeric form of the drug approved by USFDA.
DBoRL218,Paromomycin ,"(2R,3S,4R,5R,6S)-5-amino-6-{[(1R,3S,4R,6S)-4,6-diamino-2-{[(2S,3R,4S,5R)-4-{[(3R,4R,5S,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl]oxy}-2-(hydroxymethyl)oxane-3,4-diol",N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)C(O[C@@H]2O[C@H](CO)[C@@H](OC3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@H]2O)[C@H]1O,"InChI=1S/C23H44N4O15/c24-5-1-6(25)18(40-21-10(26)15(34)13(32)7(2-28)37-21)20(12(5)31)42-23-17(36)19(9(4-30)39-23)41-22-11(27)16(35)14(33)8(3-29)38-22/h5-23,28-36H,1-4,24-27H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20?,21-,22?,23+/m1/s1",VCHIDEKSPVNIGR-HLEUGBHXSA-N,C23H44N4O15,Not Found,616.618,-8.201414153,13,19,9,4,1FYP FRAGMENT OF 18S RIBOSOMAL RNA,Paromomycin targets a region of highly conserved nucleotides in the decoding region aminoacyl-tRNA site (A site) of 16 S rRNA on the 30 S subunit.,11237617,,,,,,"Lynch SR, Puglisi JD. Structural origins of aminoglycoside specificity for prokaryotic ribosomes. J Mol Biol. 2001 Mar 9;306(5):1037-58. doi: 10.1006/jmbi.2000.4420. PMID: 11237617.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11237617/,,,,,,Not Found,Yes,Yes,Investigational,DB01421,https://go.drugbank.com/drugs/DB01421,This is the isomeric form of the drug approved by USFDA.
DBoRL219,Evernimicin,"6-(6-{[2-({6-[7'-(2,4-dihydroxy-6-methylbenzoyloxy)-octahydro-2'H,3aH-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-7-oloxy]-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl}oxy)-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy}-4,6',7a-trimethyl-tetrahydro-3aH-spiro[[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-4',7-dioloxy)-4-[(5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl)oxy]-2-methyloxan-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate",COCC1OC(OC2OCC3OC4(OCC(OC(=O)c5c(C)cc(O)cc5O)C5OCOC54)OC3C2O)C(OC)C(O)C1OC1OC(C)C(OC)C(OC2OC(C)C3OC4(CC(O)C(OC5CC(OC6CC(C)([N+](=O)[O-])C(OC)C(C)O6)C(OC(=O)c6c(C)c(Cl)c(O)c(Cl)c6OC)C(C)O5)C(C)O4)OC3(C)C2O)C1O,"InChI=1/C70H97Cl2NO38/c1-24-15-31(74)16-32(75)40(24)61(82)100-36-22-94-70(60-53(36)92-23-93-60)108-37-21-91-63(46(79)52(37)109-70)106-65-56(89-13)45(78)51(35(101-65)20-86-10)104-64-47(80)55(50(87-11)27(4)97-64)105-66-57(81)68(9)59(30(7)98-66)110-69(111-68)18-33(76)48(28(5)107-69)102-38-17-34(99-39-19-67(8,73(84)85)58(90-14)29(6)96-39)49(26(3)95-38)103-62(83)41-25(2)42(71)44(77)43(72)54(41)88-12/h15-16,26-30,33-39,45-53,55-60,63-66,74-81H,17-23H2,1-14H3",UPADRKHAIMTUCC-UHFFFAOYNA-N,C70H97Cl2NO38,Not Found,1631.42,4.94912365,8,36,23,13,"Bacterial 23S rRNA,hairpins 82 and 91",Evernimicin (Evn) is an oligosaccharide antibiotic which interacts with the large ribosomal subunit and inhibits bacterial protein synthesis.,11259679,,,,,,"Belova L, Tenson T, Xiong L,
Mcnicholas PM, Mankin AS. A novel site of
antibiotic action in the ribosome: interaction
of evernimicin with the large ribosomal
subunit. Proc. Natl Acad. Sci. USA 98(7),
3726?3731 (2001).",,,,,,https://pubmed.ncbi.nlm.nih.gov/11259679/,,,,,,22563662,Yes,No,Investigational,DB06431,https://go.drugbank.com/drugs/DB06431,
DBoRL220,Methylkirromycin,"N-(7-{3,4-dihydroxy-5-[7-(4-hydroxy-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trien-1-yl]oxolan-2-yl}-6-methoxy-5-methylocta-2,4-dien-1-yl)-2-[2,3,4-trihydroxy-5,5-dimethyl-6-(penta-1,3-dien-1-yl)oxan-2-yl]butanamide",CC=CC=CC1OC(O)(C(CC)C(=O)NCC=CC=C(C)C(OC)C(C)C2OC(C=CC=CC=C(C)C(=O)c3c(O)ccn(C)c3=O)C(O)C2O)C(O)C(O)C1(C)C,"InChI=1/C44H62N2O12/c1-10-12-14-22-32-43(6,7)39(51)40(52)44(55,58-32)29(11-2)41(53)45-24-18-17-20-27(4)37(56-9)28(5)38-36(50)35(49)31(57-38)21-16-13-15-19-26(3)34(48)33-30(47)23-25-46(8)42(33)54/h10,12-23,25,28-29,31-32,35-40,47,49-52,55H,11,24H2,1-9H3,(H,45,53)",NTAHMPNXQOYXSX-UHFFFAOYNA-N,C44H62N2O12,Not Found,810.982,3.497564563,7,12,17,3,ET-Tu Aurodox,"Methylkirromycin binds to elongation factor Tu (EF-Tu) & induced conformational change, results inhibition of protein biosynthesis.  ",11278992,,,,,,"Vogeley L, Palm GJ, Mesters JR, Hilgenfeld R. Conformational change of elongation factor Tu (EF-Tu) induced by antibiotic binding. Crystal structure of the complex between EF-Tu.GDP and aurodox. J Biol Chem. 2001 May 18;276(20):17149-55. doi: 10.1074/jbc.M100017200. Epub 2001 Jan 30. PMID: 11278992.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11278992/,,,,,,135479133,Yes,No,Experimental,DB04124,https://go.drugbank.com/drugs/DB04124,
DBoRL221,Edeine B,6-amino-2-(3-amino-2-{3-[3-amino-3-(4-hydroxyphenyl)propanamido]-2-hydroxypropanamido}propanamido)-8-{[({3-[(4-aminobutyl)amino]propyl}carbamoyl)methyl]carbamoyl}-7-hydroxyoctanoic acid,NCCCCNCCCNC(=O)CNC(=O)CC(O)C(N)CCCC(NC(=O)C(CN)NC(=O)C(O)CNC(=O)CC(N)c1ccc(O)cc1)C(=O)O,"InChI=1/C33H58N10O10/c34-11-1-2-12-38-13-4-14-39-30(49)19-41-29(48)16-26(45)22(36)5-3-6-24(33(52)53)42-31(50)25(17-35)43-32(51)27(46)18-40-28(47)15-23(37)20-7-9-21(44)10-8-20/h7-10,22-27,38,44-46H,1-6,11-19,34-37H2,(H,39,49)(H,40,47)(H,41,48)(H,42,50)(H,43,51)(H,52,53)",HENXXJCYASTLGZ-UHFFFAOYNA-N,C33H58N10O10,Not Found,754.887,-9.923582503,14,15,28,1,30S RIBOSOMAL SUBUNIT,"Edeine B is a universal initiation inhibitor of translation process. Edeine B interact with 30S ribosomal subunit and shows its involvement with P-site tRNA, hence the translation initiation inhibited.",11296217,,,,,,"Pioletti M, Schl?nzen F, Harms J, Zarivach R, Gl?hmann M, Avila H, Bashan A, Bartels H, Auerbach T, Jacobi C, Hartsch T, Yonath A, Franceschi F. Crystal structures of complexes of the small ribosomal subunit with tetracycline, edeine and IF3. EMBO J. 2001 Apr 17;20(8):1829-39. doi: 10.1093/emboj/20.8.1829. PMID: 11296217; PMCID: PMC125237.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11296217/,,,,,,379085,No,No,,,,
DBoRL222,Amikacin,"(2S)-4-amino-N-(2-amino-3-{[3-amino-2,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-5-{[5-(aminomethyl)-2,3,4-trihydroxycyclohexyl]oxy}-4-hydroxycyclohexyl)-2-hydroxybutanamide",NCC[C@H](O)C(=O)NC1CC(OC2CC(CN)C(O)C(O)C2O)C(O)C(OC2CC(CO)C(O)C(N)C2O)C1N,"InChI=1S/C24H47N5O11/c25-2-1-11(31)24(38)29-10-5-14(39-13-3-8(6-26)18(33)22(37)20(13)35)21(36)23(15(10)27)40-12-4-9(7-30)17(32)16(28)19(12)34/h8-23,30-37H,1-7,25-28H2,(H,29,38)/t8?,9?,10?,11-,12?,13?,14?,15?,16?,17?,18?,19?,20?,21?,22?,23?/m0/s1",WZVXMTXCHRCOHI-BNGBBCTGSA-N,C24H47N5O11,Not Found,581.664,-8.667637081,13,15,10,3,RNA Triplex: 5'-[Poly(rA).2Poly(rU)]-3',Amikacin is an aminoglycoside which can binds with RNA {poly(rA)? 2poly(rU)} triplex and effectively stabilizes the sequence.,11389616,,,,,,"Arya DP, Coffee RL Jr, Willis B, Abramovitch AI. Aminoglycoside-nucleic acid interactions: remarkable stabilization of DNA and RNA triple helices by neomycin. J Am Chem Soc. 2001 Jun 13;123(23):5385-95. doi: 10.1021/ja003052x. PMID: 11389616.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11389616/,,,,,,Not Found,No,No,,,,
DBoRL223,Gentamycin,"6-[(4,6-diamino-3-{[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3-methyl-4-(methylamino)oxane-2,3,5-triol",CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CCC3N)C(C)N)C2O)OC(O)C1(C)O,"InChI=1/C20H41N5O8/c1-7(21)11-5-4-8(22)17(30-11)31-14-9(23)6-10(24)15(12(14)26)32-18-13(27)16(25-3)20(2,29)19(28)33-18/h7-19,25-29H,4-6,21-24H2,1-3H3",YUIVBSWPTGSJKI-UHFFFAOYNA-N,C20H41N5O8,Not Found,479.575,-4.206320554,9,13,6,3,RNA Triplex: 5'-[Poly(rA).2Poly(rU)]-3',Gentamycin is an aminoglycoside which can binds with RNA {poly(rA)? 2poly(rU)} triplex and effectively stabilizes the sequence.,11389616,,,,,,"Arya DP, Coffee RL Jr, Willis B, Abramovitch AI. Aminoglycoside-nucleic acid interactions: remarkable stabilization of DNA and RNA triple helices by neomycin. J Am Chem Soc. 2001 Jun 13;123(23):5385-95. doi: 10.1021/ja003052x. PMID: 11389616.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11389616/,,,,,,Not Found,Yes,No,Experimental,DB04729,https://go.drugbank.com/drugs/DB04729,This is the isomeric form of the drug approved by USFDA.
DBoRL224,Kanamycin A,"2-[(4-amino-6-azaniumyl-3-{[6-(azaniumylmethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-aminium",[H][N+]([H])([H])CC1OC(OC2C(N)CC(C(OC3OC(CO)C(O)C(C3O)[N+]([H])([H])[H])C2O)[N+]([H])([H])[H])C(O)C(O)C1O,"InChI=1/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/p+3",SBUJHOSQTJFQJX-UHFFFAOYNA-Q,C18H39N4O11,Not Found,487.525,-7.060913449,11,12,6,3,RNA Triplex: 5'-[Poly(rA).2Poly(rU)]-3',Kanamycin A is an aminoglycoside which can binds with RNA {poly(rA)? 2poly(rU)} triplex and effectively stabilizes the sequence.,11389616,,,,,,"Arya DP, Coffee RL Jr, Willis B, Abramovitch AI. Aminoglycoside-nucleic acid interactions: remarkable stabilization of DNA and RNA triple helices by neomycin. J Am Chem Soc. 2001 Jun 13;123(23):5385-95. doi: 10.1021/ja003052x. PMID: 11389616.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11389616/,,,,,,Not Found,Yes,Yes,Investigational Vet_approved,DB01172,https://go.drugbank.com/drugs/DB01172,This is the isomeric form of the drug approved by USFDA.
DBoRL225,Lividomycin,"4-{[3-azaniumyl-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(4-{[3-azaniumyl-6-(azaniumylmethyl)-4-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-6-hydroxycyclohexane-1,3-bis(aminium)",[H]C1C(O)C(CO)OC(OC2C(CC(C(O)C2OC2OC(CO)C(OC3OC(C[N+]([H])([H])[H])C(OC4OC(CO)C(O)C(O)C4O)C(O)C3[N+]([H])([H])[H])C2O)[N+]([H])([H])[H])[N+]([H])([H])[H])C1[N+]([H])([H])[H],"InChI=1/C29H55N5O18/c30-3-11-23(51-28-20(43)19(42)17(40)13(5-36)47-28)18(41)15(34)27(45-11)50-24-14(6-37)48-29(21(24)44)52-25-16(39)7(31)1-8(32)22(25)49-26-9(33)2-10(38)12(4-35)46-26/h7-29,35-44H,1-6,30-34H2/p+5",DBLVDAUGBTYDFR-UHFFFAOYNA-S,C29H60N5O18,Not Found,766.813,-9.388836914,15,18,12,5,RNA Triplex: 5'-[Poly(rA).2Poly(rU)]-3',Lividomycin is an aminoglycoside which can binds with RNA {poly(rA)? 2poly(rU)} triplex and effectively stabilizes the sequence.,11389616,,,,,,"Arya DP, Coffee RL Jr, Willis B, Abramovitch AI. Aminoglycoside-nucleic acid interactions: remarkable stabilization of DNA and RNA triple helices by neomycin. J Am Chem Soc. 2001 Jun 13;123(23):5385-95. doi: 10.1021/ja003052x. PMID: 11389616.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11389616/,,,,,,Not Found,Yes,No,Experimental,DB04728,https://go.drugbank.com/drugs/DB04728,This is the isomeric form of the drug approved by USFDA.
DBoRL226,Neomycin,"4-{[3-azaniumyl-6-(azaniumylmethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(4-{[3-azaniumyl-6-(azaniumylmethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-6-hydroxycyclohexane-1,3-bis(aminium)",[H][N+]([H])([H])CC1OC(OC2C(CO)OC(OC3C(O)C(CC(C3OC3OC(C[N+]([H])([H])[H])C(O)C(O)C3[N+]([H])([H])[H])[N+]([H])([H])[H])[N+]([H])([H])[H])C2O)C(C(O)C1O)[N+]([H])([H])[H],"InChI=1/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/p+6",PGBHMTALBVVCIT-UHFFFAOYNA-T,C23H52N6O13,Not Found,620.695,-8.415177746,13,13,9,4,RNA Triplex: 5'-[Poly(rA).2Poly(rU)]-3',Neomycin is an aminoglycoside which can binds with RNA {poly(rA)? 2poly(rU)} triplex and effectively stabilizes the sequence. Neomycin is most effective for stabilizes RNA {poly(rA)? 2poly(rU)}.,11389616,,,,,,"Arya DP, Coffee RL Jr, Willis B, Abramovitch AI. Aminoglycoside-nucleic acid interactions: remarkable stabilization of DNA and RNA triple helices by neomycin. J Am Chem Soc. 2001 Jun 13;123(23):5385-95. doi: 10.1021/ja003052x. PMID: 11389616.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11389616/,,,,,,Not Found,Yes,Yes,,DB00452,https://go.drugbank.com/drugs/DB00452,This is the isomeric form of the drug approved by USFDA.
DBoRL227,Paromomycin,"4-{[3-azaniumyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(4-{[3-azaniumyl-6-(azaniumylmethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-6-hydroxycyclohexane-1,3-bis(aminium)",[H][N+]([H])([H])CC1OC(OC2C(CO)OC(OC3C(O)C(CC(C3OC3OC(CO)C(O)C(O)C3[N+]([H])([H])[H])[N+]([H])([H])[H])[N+]([H])([H])[H])C2O)C(C(O)C1O)[N+]([H])([H])[H],"InChI=1/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/p+5",UOZODPSAJZTQNH-UHFFFAOYNA-S,C23H50N5O14,Not Found,620.671,-8.308295949,13,14,9,4,RNA Triplex: 5'-[Poly(rA).2Poly(rU)]-3',Paromomycin is an aminoglycoside which can binds with RNA {poly(rA)? 2poly(rU)} triplex and effectively stabilizes the sequence.,11389616,,,,,,"Arya DP, Coffee RL Jr, Willis B, Abramovitch AI. Aminoglycoside-nucleic acid interactions: remarkable stabilization of DNA and RNA triple helices by neomycin. J Am Chem Soc. 2001 Jun 13;123(23):5385-95. doi: 10.1021/ja003052x. PMID: 11389616.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11389616/,,,,,,Not Found,Yes,Yes,Investigational,DB01421,https://go.drugbank.com/drugs/DB01421,This is the isomeric form of the drug approved by USFDA.
DBoRL228,Ribostamycin,"4-{[3-azaniumyl-6-(azaniumylmethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-6-hydroxycyclohexane-1,3-bis(aminium)",[H][N+]([H])([H])CC1OC(OC2C(OC3OC(CO)C(O)C3O)C(O)C(CC2[N+]([H])([H])[H])[N+]([H])([H])[H])C(C(O)C1O)[N+]([H])([H])[H],"InChI=1/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/p+4",NSKGQURZWSPSBC-UHFFFAOYNA-R,C17H38N4O10,Not Found,458.507,-6.430578507,10,10,6,3,RNA Triplex: 5'-[Poly(rA).2Poly(rU)]-3',Ribostamycin is an aminoglycoside which can binds with RNA {poly(rA)? 2poly(rU)} triplex and effectively stabilizes the sequence.,11389616,,,,,,"Arya DP, Coffee RL Jr, Willis B, Abramovitch AI. Aminoglycoside-nucleic acid interactions: remarkable stabilization of DNA and RNA triple helices by neomycin. J Am Chem Soc. 2001 Jun 13;123(23):5385-95. doi: 10.1021/ja003052x. PMID: 11389616.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11389616/,,,,,,Not Found,Yes,Yes,Experimental,DB03615,https://go.drugbank.com/drugs/DB03615,This is the isomeric form of the drug approved by USFDA.
DBoRL229,Sisomicin,"2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]methyl}-2-hydroxycyclohexyl)methyl]-5-methyl-4-(methylamino)oxane-3,5-diol",CNC1C(O)C(CC2C(N)CC(N)C(CC3OC(CN)=CCC3N)C2O)OCC1(C)O,"InChI=1/C21H41N5O5/c1-21(29)9-30-17(19(28)20(21)26-2)6-12-15(25)7-14(24)11(18(12)27)5-16-13(23)4-3-10(8-22)31-16/h3,11-20,26-29H,4-9,22-25H2,1-2H3",OJDOKLOQYCAMFC-UHFFFAOYNA-N,C21H41N5O5,Not Found,443.589,-4.401821957,8,10,6,3,RNA Triplex: 5'-[Poly(rA).2Poly(rU)]-3',Sisomicin is an aminoglycoside which can binds with RNA {poly(rA)? 2poly(rU)} triplex and effectively stabilizes the sequence.,11389616,,,,,,"Arya DP, Coffee RL Jr, Willis B, Abramovitch AI. Aminoglycoside-nucleic acid interactions: remarkable stabilization of DNA and RNA triple helices by neomycin. J Am Chem Soc. 2001 Jun 13;123(23):5385-95. doi: 10.1021/ja003052x. PMID: 11389616.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11389616/,,,,,,Not Found,Yes,No,Investigational,DB12604,https://go.drugbank.com/drugs/DB12604,This is the isomeric form of the drug approved by USFDA.
DBoRL230,Streptomycin,"N-{3-carbamimidamido-4-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-2,5,6-trihydroxycyclohexyl}guanidine",CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(NC(N)=N)C(O)C2NC(N)=N)OC(C)C1(O)C=O,"InChI=1/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)",UCSJYZPVAKXKNQ-UHFFFAOYNA-N,C21H39N7O12,Not Found,581.58,-7.191810438,14,19,9,3,RNA Triplex: 5'-[Poly(rA).2Poly(rU)]-3',Streptomycin is an aminoglycoside which can binds with RNA {poly(rA)? 2poly(rU)} triplex and effectively stabilizes the sequence.,11389616,,,,,,"Arya DP, Coffee RL Jr, Willis B, Abramovitch AI. Aminoglycoside-nucleic acid interactions: remarkable stabilization of DNA and RNA triple helices by neomycin. J Am Chem Soc. 2001 Jun 13;123(23):5385-95. doi: 10.1021/ja003052x. PMID: 11389616.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11389616/,,,,,,5297,Yes,Yes,Vet_approved,DB01082,https://go.drugbank.com/drugs/DB01082,
DBoRL231,Tobramycin,"2-[(4-amino-6-azaniumyl-3-{[3-azaniumyl-6-(azaniumylmethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-aminium",[H]C1C(O)C(C[N+]([H])([H])[H])OC(OC2C(N)CC(C(OC3OC(CO)C(O)C(C3O)[N+]([H])([H])[H])C2O)[N+]([H])([H])[H])C1[N+]([H])([H])[H],"InChI=1/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/p+4",NLVFBUXFDBBNBW-UHFFFAOYNA-R,C18H41N5O9,Not Found,471.55,-6.477500565,10,10,6,3,RNA Triplex: 5'-[Poly(rA).2Poly(rU)]-3',Tobramycin is an aminoglycoside which can binds with RNA {poly(rA)? 2poly(rU)} triplex and effectively stabilizes the sequence.,11389616,,,,,,"Arya DP, Coffee RL Jr, Willis B, Abramovitch AI. Aminoglycoside-nucleic acid interactions: remarkable stabilization of DNA and RNA triple helices by neomycin. J Am Chem Soc. 2001 Jun 13;123(23):5385-95. doi: 10.1021/ja003052x. PMID: 11389616.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11389616/,,,,,,Not Found,Yes,Yes,Investigational,DB00684,https://go.drugbank.com/drugs/DB00684,This is the isomeric form of the drug approved by USFDA.
DBoRL232,Flavin adenine dinucleotide,"{[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[(5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl)oxy](hydroxy)phosphoryl}oxy)phosphinic acid",Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c2cc1C,"InChI=1/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)",VWWQXMAJTJZDQX-UHFFFAOYNA-N,C27H33N9O15P2,Not Found,785.557,-5.059306954,9,19,13,6,35 nucleotide RNA,Flavin adenine dinucleotide binds with 35 nucleotide RNA and may stabilize the structure.,11539282,,,,,,"Lauhon CT, Szostak JW. RNA aptamers that bind flavin and nicotinamide redox cofactors. J Am Chem Soc. 1995 Feb 1;117(4):1246-57. doi: 10.1021/ja00109a008. PMID: 11539282.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11539282/,,,,,,703,Yes,Yes,,DB03147,https://go.drugbank.com/drugs/DB03147,
DBoRL233,Nicotinamide mononucleotide,"3-carbamoyl-1-{5-[(hydrogen phosphonatooxy)methyl]-3,4-dihydroxyoxolan-2-yl}-1??-pyridin-1-ylium",NC(=O)c1ccc[n+](C2OC(COP(=O)([O-])O)C(O)C2O)c1,"InChI=1/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)",DAYLJWODMCOQEW-UHFFFAOYNA-N,C11H15N2O8P,Not Found,334.221,-6.244347915,4,7,5,2,Aptamer,RNA aptamer has the ability to binds with nicotinamide mononucleotide. ,11539282,,,,,,"Lauhon CT, Szostak JW. RNA aptamers that bind flavin and nicotinamide redox cofactors. J Am Chem Soc. 1995 Feb 1;117(4):1246-57. doi: 10.1021/ja00109a008. PMID: 11539282.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11539282/,,,,,,4661174,Yes,No,Experimental,DB03227,https://go.drugbank.com/drugs/DB03227,This is the isomeric form of the drug approved by USFDA.
DBoRL234,Valnemulin,"4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxotricyclo[5.4.3.0?,?]tetradecan-6-yl 2-{[1-(2-amino-3-methylbutanamido)-2-methylpropan-2-yl]sulfanyl}acetate",C=CC1(C)CC(OC(=O)CSC(C)(C)CNC(=O)C(N)C(C)C)C2(C)C(C)CCC3(CCC(=O)C32)C(C)C1O,"InChI=1/C31H52N2O5S/c1-10-29(8)15-22(38-23(35)16-39-28(6,7)17-33-27(37)24(32)18(2)3)30(9)19(4)11-13-31(20(5)26(29)36)14-12-21(34)25(30)31/h10,18-20,22,24-26,36H,1,11-17,32H2,2-9H3,(H,33,37)",LLYYNOVSVPBRGV-UHFFFAOYNA-N,C31H52N2O5S,Not Found,564.83,3.968662771,3,5,10,3,peptidyl transferase centre,"Valnemulin, a pleuromutilin drug, inhibit protein synthesis by binding to the 50S ribosomal subunit of bacteria. Valnemulin bind to the RNA at the peptidyl transferase centre on the ribosome in which they prevent the correct positioning of the CCA-ends of tRNAs for peptide transfer.",11555289,,,,,,"Poulsen SM, Karlsson M, Johansson LB, Vester B. The pleuromutilin drugs tiamulin and valnemulin bind to the RNA at the peptidyl transferase centre on the ribosome. Mol Microbiol. 2001 Sep;41(5):1091-9. doi: 10.1046/j.1365-2958.2001.02595.x. PMID: 11555289.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11555289/,,,,,,21706784,No,No,,,,
DBoRL235,Paromomycin II,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2",UOZODPSAJZTQNH-UHFFFAOYNA-N,C23H45N5O14,Not Found,615.634,-8.308295949,13,19,9,4,A-site,Paromomycin II interact with the eubacterial ribosomal decoding A site and interferes in decoding process of translation.,11587639,,,,,,"Vicens Q, Westhof E. Crystal structure of paromomycin docked into the eubacterial ribosomal decoding A site. Structure. 2001 Aug;9(8):647-58. doi: 10.1016/s0969-2126(01)00629-3. PMID: 11587639.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11587639/,,,,,,4689,Yes,Yes,Investigational,DB01421,https://go.drugbank.com/drugs/DB01421,
DBoRL236,clarithromycin,"6-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-12,13-dihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-7-methoxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione",CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O,"InChI=1/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3",AGOYDEPGAOXOCK-UHFFFAOYNA-N,C38H69NO13,Not Found,747.964,3.239515351,4,13,8,3,peptidyl transferase centre,Clarithromycin is an antibiotic that interact with the peptidyl transferase centre in eubacteria & may interfere protein synthesis activity.  ,11677599,,,,,,"Schl?nzen F, Zarivach R, Harms J, Bashan A, Tocilj A, Albrecht R, Yonath A, Franceschi F. Structural basis for the interaction of antibiotics with the peptidyl transferase centre in eubacteria. Nature. 2001 Oct 25;413(6858):814-21. doi: 10.1038/35101544. PMID: 11677599.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11677599/,,,,,,4663848,Yes,Yes,,DB01211,https://go.drugbank.com/drugs/DB01211,
DBoRL237,Clindamycin,"N-{2-chloro-1-[3,4,5-trihydroxy-6-(methylsulfanyl)oxan-2-yl]propyl}-1-methyl-4-propylpyrrolidine-2-carboxamide",CCCC1CC(C(=O)NC(C(C)Cl)C2OC(SC)C(O)C(O)C2O)N(C)C1,"InChI=1/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)",KDLRVYVGXIQJDK-UHFFFAOYNA-N,C18H33ClN2O5S,Not Found,424.98,1.03773764,4,6,7,2,Peptidyl Transferase Center in Eubacteria,Clindamycin is an antibiotic that interact with the peptidyl transferase centre in eubacteria & may interfere protein synthesis activity.  ,11677599,,,,,,"Schl?nzen F, Zarivach R, Harms J, Bashan A, Tocilj A, Albrecht R, Yonath A, Franceschi F. Structural basis for the interaction of antibiotics with the peptidyl transferase centre in eubacteria. Nature. 2001 Oct 25;413(6858):814-21. doi: 10.1038/35101544. PMID: 11677599.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11677599/,,,,,,2786,Yes,Yes,Vet_approved,DB01190,https://go.drugbank.com/drugs/DB01190,
DBoRL238,Spermine,(3-aminopropyl)({4-[(3-aminopropyl)amino]butyl})amine,NCCCNCCCCNCCCN,"InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2",PFNFFQXMRSDOHW-UHFFFAOYSA-N,C10H26N4,"71-44-3,68956-56-9,71052-31-8",202.346,-1.454007616,4,4,11,0,RNA OLIGONUCLEOTIDE: (gguauuucgguaCc)2,Spermine binds to major groove of RNA oligonucleotide (gguauuucgguaCc)2 and induces conformational changes.,11680847,,,,,,"Deng J, Xiong Y, Sudarsanakumar C, Shi K, Sundaralingam M. Crystal structures of two forms of a 14-mer RNA/DNA chimer duplex with double UU bulges: a novel intramolecular U*(A x U) base triple. RNA. 2001 Oct;7(10):1425-31. PMID: 11680847; PMCID: PMC1370186.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11680847/,,,,,,1103,Yes,No,Experimental Nutraceutical,DB00127,https://go.drugbank.com/drugs/DB00127,
DBoRL239,Phenothiazine 1,"3-[2-(dimethylamino)-2-hydroxyethyl]-5,7-dimethyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4,6-dione",CC1C(=O)N(C)C(=O)c2c1ncn2CC(O)N(C)C,"InChI=1/C12H18N4O3/c1-7-9-10(12(19)15(4)11(7)18)16(6-13-9)5-8(17)14(2)3/h6-8,17H,5H2,1-4H3",OSLXTWNSIVLJNO-UHFFFAOYNA-N,C12H18N4O3,Not Found,266.301,-0.698721536,1,5,3,2,HIV-1 TAR RNA,"HIV-1 TAR RNA functions critically in viral replication by binding the transactivating regulatory protein Tat. Phenothiazine 1 inhibits the Tat-TAR interaction, as a result interference occurs with viral replication.",11880033,,,,,,"Lind KE, Du Z, Fujinaga K, Peterlin BM, James TL. Structure-based computational database screening, in vitro assay, and NMR assessment of compounds that target TAR RNA. Chem Biol. 2002 Feb;9(2):185-93. doi: 10.1016/s1074-5521(02)00106-0. PMID: 11880033.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11880033/,,,,,,Not Found,No,No,,,,
DBoRL240,Phenothiazine 10,"N-(4-{2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl}phenyl)-2,2,2-trifluoroacetamide",O=C1CC(c2ccc(NC(=O)C(F)(F)F)cc2)C(=O)N1c1ccc(OC(F)(F)F)cc1,"InChI=1/C19H12F6N2O4/c20-18(21,22)17(30)26-11-3-1-10(2-4-11)14-9-15(28)27(16(14)29)12-5-7-13(8-6-12)31-19(23,24)25/h1-8,14H,9H2,(H,26,30)",DPDKKGBZJQACOR-UHFFFAOYNA-N,C19H12F6N2O4,Not Found,446.305,4.366103796,1,4,6,3,HIV-1 TAR RNA,"HIV-1 TAR RNA functions critically in viral replication by binding the transactivating regulatory protein Tat. Phenothiazine 10 inhibits the Tat-TAR interaction, as a result interference occurs with viral replication.",11880033,,,,,,"Lind KE, Du Z, Fujinaga K, Peterlin BM, James TL. Structure-based computational database screening, in vitro assay, and NMR assessment of compounds that target TAR RNA. Chem Biol. 2002 Feb;9(2):185-93. doi: 10.1016/s1074-5521(02)00106-0. PMID: 11880033.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11880033/,,,,,,2737978,No,No,,,,
DBoRL241,Phenothiazine 3,"3',6'-dihydroxy-5-isothiocyanato-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one",O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(N=C=S)cc21,"InChI=1S/C21H11NO5S/c23-12-2-5-16-18(8-12)26-19-9-13(24)3-6-17(19)21(16)15-4-1-11(22-10-28)7-14(15)20(25)27-21/h1-9,23-24H",MHMNJMPURVTYEJ-UHFFFAOYSA-N,C21H11NO5S,3326-32-7,389.38,4.90216805,2,4,1,5,HIV-1 TAR RNA,"HIV-1 TAR RNA functions critically in viral replication by binding the transactivating regulatory protein Tat. Phenothiazine 3 inhibits the Tat-TAR interaction, as a result interference occurs with viral replication.",11880033,,,,,,"Lind KE, Du Z, Fujinaga K, Peterlin BM, James TL. Structure-based computational database screening, in vitro assay, and NMR assessment of compounds that target TAR RNA. Chem Biol. 2002 Feb;9(2):185-93. doi: 10.1016/s1074-5521(02)00106-0. PMID: 11880033.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11880033/,,,,,,18730,No,No,,,,
DBoRL242,Phenothiazine 4,"3,3-bis(4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-1-one",O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,"InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H",KJFMBFZCATUALV-UHFFFAOYSA-N,C20H14O4,77-09-8,318.328,4.353301456,2,3,2,4,HIV-1 TAR RNA,"HIV-1 TAR RNA functions critically in viral replication by binding the transactivating regulatory protein Tat. Phenothiazine 4 inhibits the Tat-TAR interaction, as a result interference occurs with viral replication.",11880033,,,,,,"Lind KE, Du Z, Fujinaga K, Peterlin BM, James TL. Structure-based computational database screening, in vitro assay, and NMR assessment of compounds that target TAR RNA. Chem Biol. 2002 Feb;9(2):185-93. doi: 10.1016/s1074-5521(02)00106-0. PMID: 11880033.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11880033/,,,,,,4764,Yes,Yes,Withdrawn,DB04824,https://go.drugbank.com/drugs/DB04824,
DBoRL243,Phenothiazine 7,"methyl (1S,13R,15R,18S,19R,20S)-18-hydroxy-13-methyl-3,13??-diazapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-2(10),4,6,8-tetraene-19-carboxylate",[H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])C3=C(CC[N@]1(C)C2)C1=C(N3)C=CC=C1,"InChI=1S/C22H29N2O3/c1-24-10-9-15-14-5-3-4-6-17(14)23-21(15)18(24)11-16-13(12-24)7-8-19(25)20(16)22(26)27-2/h3-6,13,16,18-20,23,25H,7-12H2,1-2H3/t13-,16-,18-,19-,20+/m0/s1",PIOKTYBJCNHUSG-ZQCVIMGFSA-N,C22H29N2O3,Not Found,369.485,,0,0,2,5,HIV-1 TAR RNA,"HIV-1 TAR RNA functions critically in viral replication by binding the transactivating regulatory protein Tat. Phenothiazine 7 inhibits the Tat-TAR interaction, as a result interference occurs with viral replication.",11880033,,,,,,"Lind KE, Du Z, Fujinaga K, Peterlin BM, James TL. Structure-based computational database screening, in vitro assay, and NMR assessment of compounds that target TAR RNA. Chem Biol. 2002 Feb;9(2):185-93. doi: 10.1016/s1074-5521(02)00106-0. PMID: 11880033.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11880033/,,,,,,Not Found,Yes,Yes,Investigational Vet_approved,DB01392,https://go.drugbank.com/drugs/DB01392,This is the isomeric form of the drug approved by USFDA.
DBoRL244,Phenothiazine 8,"4,10-diacetyl-11,13-dihydroxy-2-methyl-8-oxatricyclo[7.4.0.0?,?]tridecane-3,5-dione",CC(=O)C1C(=O)CC2OC3C(C(C)=O)C(O)CC(O)C3C2(C)C1=O,"InChI=1/C17H22O7/c1-6(18)12-8(20)4-10(22)14-15(12)24-11-5-9(21)13(7(2)19)16(23)17(11,14)3/h8,10-15,20,22H,4-5H2,1-3H3",JIYVHTUNVYSJKK-UHFFFAOYNA-N,C17H22O7,Not Found,338.356,-0.576670471,2,7,2,3,HIV-1 TAR RNA,"HIV-1 TAR RNA functions critically in viral replication by binding the transactivating regulatory protein Tat. Phenothiazine 8 inhibits the Tat-TAR interaction, as a result interference occurs with viral replication.",11880033,,,,,,"Lind KE, Du Z, Fujinaga K, Peterlin BM, James TL. Structure-based computational database screening, in vitro assay, and NMR assessment of compounds that target TAR RNA. Chem Biol. 2002 Feb;9(2):185-93. doi: 10.1016/s1074-5521(02)00106-0. PMID: 11880033.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11880033/,,,,,,59122035,No,No,,,,
DBoRL245,Quinacridone,"5,7,12,14-tetrahydro-5,12-diazapentacene-7,14-dione",O=c1c2ccccc2[nH]c2cc3c(=O)c4ccccc4[nH]c3cc12,"InChI=1S/C20H12N2O2/c23-19-11-5-1-3-7-15(11)21-17-10-14-18(9-13(17)19)22-16-8-4-2-6-12(16)20(14)24/h1-10H,(H,21,23)(H,22,24)",NRCMAYZCPIVABH-UHFFFAOYSA-N,C20H12N2O2,"1047-16-1,790240-46-9,39362-27-1,65381-35-3,67051-64-3,67053-84-3,87397-48-6",312.328,6.425311809,2,4,0,5,HIV-1 TAR RNA,"Quinacridone is used to target HIV-1 TAR RNA. Once, quinacridone bind with TAR RNA, the virus become unable to replicate. ",11880033,,,,,,"Lind KE, Du Z, Fujinaga K, Peterlin BM, James TL. Structure-based computational database screening, in vitro assay, and NMR assessment of compounds that target TAR RNA. Chem Biol. 2002 Feb;9(2):185-93. doi: 10.1016/s1074-5521(02)00106-0. PMID: 11880033.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11880033/,,,,,,13976,No,No,,,,
DBoRL246,Promazine,dimethyl[3-(10H-phenothiazin-10-yl)propyl]amine,CN(C)CCCN1c2ccccc2Sc2ccccc21,"InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3",ZGUGWUXLJSTTMA-UHFFFAOYSA-N,C17H20N2S,58-40-2,284.42,3.930955566,0,2,4,3,HIV-1 TAR RNA,This compound is used to target HIV-1 TAR RNA.,11880033,,,,,,"Lind KE, Du Z, Fujinaga K, Peterlin BM, James TL. Structure-based computational database screening, in vitro assay, and NMR assessment of compounds that target TAR RNA. Chem Biol. 2002 Feb;9(2):185-93. doi: 10.1016/s1074-5521(02)00106-0. PMID: 11880033.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11880033/,,,,,,4926,Yes,Yes,Vet_approved,DB00420,https://go.drugbank.com/drugs/DB00420,
DBoRL247,Xanthinol,"7-{2-hydroxy-3-[(2-hydroxyethyl)(methyl)amino]propyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione",CN(CCO)CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,"InChI=1/C13H21N5O4/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2/h8-9,19-20H,4-7H2,1-3H3",DSFGXPJYDCSWTA-UHFFFAOYNA-N,C13H21N5O4,Not Found,311.342,-1.847438023,2,6,6,2,HIV-1 TAR ,This compound is used to target HIV-1 TAR RNA.,11880033,,,,,,"Lind KE, Du Z, Fujinaga K, Peterlin BM, James TL. Structure-based computational database screening, in vitro assay, and NMR assessment of compounds that target TAR RNA. Chem Biol. 2002 Feb;9(2):185-93. doi: 10.1016/s1074-5521(02)00106-0. PMID: 11880033.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11880033/,,,,,,9913,Yes,Yes,Withdrawn,DB09092,https://go.drugbank.com/drugs/DB09092,
DBoRL248,Neamine Derivative 5,"4-amino-N-(2-{[4-amino-6-(4-amino-2-hydroxybutanamido)-3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}ethyl)-N-(3-aminopropyl)-2-hydroxybutanamide",NCCCN(CCOC1C(NC(=O)C(O)CCN)CC(N)C(OC2OC(CN)C(O)C(O)C2N)C1O)C(=O)C(O)CCN,"InChI=1/C25H52N8O10/c26-4-1-7-33(24(40)15(35)3-6-28)8-9-41-22-13(32-23(39)14(34)2-5-27)10-12(30)21(20(22)38)43-25-17(31)19(37)18(36)16(11-29)42-25/h12-22,25,34-38H,1-11,26-31H2,(H,32,39)",UAATUNRQPWOVKC-UHFFFAOYNA-N,C25H52N8O10,Not Found,624.737,-9.004221562,12,16,17,2,16s rRNA A SITE,"Neamine derivative 5, an antibiotic that binds to the ribosomal acyltransfer site of & interfere with bacterial translation process.",11916405,,,,,,"Haddad J, Kotra LP, Llano-Sotelo B, Kim C, Azucena EF Jr, Liu M, Vakulenko SB, Chow CS, Mobashery S. Design of novel antibiotics that bind to the ribosomal acyltransfer site. J Am Chem Soc. 2002 Apr 3;124(13):3229-37. doi: 10.1021/ja011695m. PMID: 11916405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11916405/,,,,,,Not Found,No,No,,,,
DBoRL249,Neamine Derivative 6,"N-(5-amino-4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-2-{2-[(4-aminobutyl)amino]ethoxy}-3-hydroxycyclohexyl)-2-(4-aminophenyl)acetamide",NCCCCNCCOC1C(NC(=O)Cc2ccc(N)cc2)CC(N)C(OC2OC(CN)C(O)C(O)C2N)C1O,"InChI=1/C26H47N7O7/c27-7-1-2-8-32-9-10-38-25-17(33-19(34)11-14-3-5-15(29)6-4-14)12-16(30)24(23(25)37)40-26-20(31)22(36)21(35)18(13-28)39-26/h3-6,16-18,20-26,32,35-37H,1-2,7-13,27-31H2,(H,33,34)",YOCWLSOCGYUXRU-UHFFFAOYNA-N,C26H47N7O7,Not Found,569.704,-4.406755645,10,13,14,3,16s rRNA A SITE,"Neamine derivative 6, an antibiotic that binds to the ribosomal acyltransfer site of & interfere with bacterial translation process.",11916405,,,,,,"Haddad J, Kotra LP, Llano-Sotelo B, Kim C, Azucena EF Jr, Liu M, Vakulenko SB, Chow CS, Mobashery S. Design of novel antibiotics that bind to the ribosomal acyltransfer site. J Am Chem Soc. 2002 Apr 3;124(13):3229-37. doi: 10.1021/ja011695m. PMID: 11916405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11916405/,,,,,,Not Found,No,No,,,,
DBoRL250,Neamine Derivative 7,"N-(5-amino-4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-2-{2-[(4-aminobutyl)amino]ethoxy}-3-hydroxycyclohexyl)-2-(3-aminophenyl)acetamide",NCCCCNCCOC1C(NC(=O)Cc2cccc(N)c2)CC(N)C(OC2OC(CN)C(O)C(O)C2N)C1O,"InChI=1/C26H47N7O7/c27-6-1-2-7-32-8-9-38-25-17(33-19(34)11-14-4-3-5-15(29)10-14)12-16(30)24(23(25)37)40-26-20(31)22(36)21(35)18(13-28)39-26/h3-5,10,16-18,20-26,32,35-37H,1-2,6-9,11-13,27-31H2,(H,33,34)",MQQZQOWKEYULQI-UHFFFAOYNA-N,C26H47N7O7,Not Found,569.704,-4.406755645,10,13,14,3,16s rRNA A SITE,"Neamine derivative 7, an antibiotic that binds to the ribosomal acyltransfer site of & interfere with bacterial translation process.",11916405,,,,,,"Haddad J, Kotra LP, Llano-Sotelo B, Kim C, Azucena EF Jr, Liu M, Vakulenko SB, Chow CS, Mobashery S. Design of novel antibiotics that bind to the ribosomal acyltransfer site. J Am Chem Soc. 2002 Apr 3;124(13):3229-37. doi: 10.1021/ja011695m. PMID: 11916405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11916405/,,,,,,Not Found,No,No,,,,
DBoRL251,Neamine derivative 1,"4-amino-N-(5-amino-4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-2-{2-[(2-aminoethyl)amino]ethoxy}-3-hydroxycyclohexyl)-2-hydroxybutanamide",NCCNCCOC1C(NC(=O)C(O)CCN)CC(N)C(OC2OC(CN)C(O)C(O)C2N)C1O,"InChI=1/C20H43N7O8/c21-2-1-11(28)19(32)27-10-7-9(24)17(16(31)18(10)33-6-5-26-4-3-22)35-20-13(25)15(30)14(29)12(8-23)34-20/h9-18,20,26,28-31H,1-8,21-25H2,(H,27,32)",OGRDTONULPXNRP-UHFFFAOYNA-N,C20H43N7O8,Not Found,509.605,-7.331807748,11,14,13,2,16S-RRNA A-Site,The compound act as antibiotic that bind to the ribosomal acyltransfer site of bacteria.,11916405,,,,,,"Haddad J, Kotra LP, Llano-Sotelo B, Kim C, Azucena EF Jr, Liu M, Vakulenko SB, Chow CS, Mobashery S. Design of novel antibiotics that bind to the ribosomal acyltransfer site. J Am Chem Soc. 2002 Apr 3;124(13):3229-37. doi: 10.1021/ja011695m. PMID: 11916405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11916405/,,,,,,Not Found,No,No,,,,
DBoRL252,Neamine derivative 2,"4-amino-N-(5-amino-4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-2-{2-[(3-aminopropyl)amino]ethoxy}-3-hydroxycyclohexyl)-2-hydroxybutanamide",NCCCNCCOC1C(NC(=O)C(O)CCN)CC(N)C(OC2OC(CN)C(O)C(O)C2N)C1O,"InChI=1/C21H45N7O8/c22-3-1-5-27-6-7-34-19-11(28-20(33)12(29)2-4-23)8-10(25)18(17(19)32)36-21-14(26)16(31)15(30)13(9-24)35-21/h10-19,21,27,29-32H,1-9,22-26H2,(H,28,33)",IOOQDMDPEUJNKK-UHFFFAOYNA-N,C21H45N7O8,Not Found,523.632,-7.271848009,11,14,14,2,16S-RRNA A-Site,The compound act as antibiotic that bind to the ribosomal acyltransfer site of bacteria.,11916405,,,,,,"Haddad J, Kotra LP, Llano-Sotelo B, Kim C, Azucena EF Jr, Liu M, Vakulenko SB, Chow CS, Mobashery S. Design of novel antibiotics that bind to the ribosomal acyltransfer site. J Am Chem Soc. 2002 Apr 3;124(13):3229-37. doi: 10.1021/ja011695m. PMID: 11916405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11916405/,,,,,,Not Found,No,No,,,,
DBoRL253,Neamine derivative 3,"4-amino-N-(5-amino-4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-2-{2-[(4-aminobutyl)amino]ethoxy}-3-hydroxycyclohexyl)-2-hydroxybutanamide",NCCCCNCCOC1C(NC(=O)C(O)CCN)CC(N)C(OC2OC(CN)C(O)C(O)C2N)C1O,"InChI=1/C22H47N7O8/c23-4-1-2-6-28-7-8-35-20-12(29-21(34)13(30)3-5-24)9-11(26)19(18(20)33)37-22-15(27)17(32)16(31)14(10-25)36-22/h11-20,22,28,30-33H,1-10,23-27H2,(H,29,34)",QRCUUUGDKXULRN-UHFFFAOYNA-N,C22H47N7O8,Not Found,537.659,-6.754485338,11,14,15,2,16S-RRNA A-Site,The compound act as antibiotic that bind to the ribosomal acyltransfer site of bacteria.,11916405,,,,,,"Haddad J, Kotra LP, Llano-Sotelo B, Kim C, Azucena EF Jr, Liu M, Vakulenko SB, Chow CS, Mobashery S. Design of novel antibiotics that bind to the ribosomal acyltransfer site. J Am Chem Soc. 2002 Apr 3;124(13):3229-37. doi: 10.1021/ja011695m. PMID: 11916405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11916405/,,,,,,Not Found,No,No,,,,
DBoRL254,Neamine derivative 4,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-3-{2-[(3-aminopropyl)amino]ethoxy}-2-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCCCNCCOC1C(N)CC(N)C(OC2OC(CN)C(O)C(O)C2N)C1O,"InChI=1/C17H38N6O6/c18-2-1-3-23-4-5-27-15-8(20)6-9(21)16(14(15)26)29-17-11(22)13(25)12(24)10(7-19)28-17/h8-17,23-26H,1-7,18-22H2",YWQZOAGQJIVNJZ-UHFFFAOYNA-N,C17H38N6O6,Not Found,422.527,-5.748378784,9,12,10,2,16S-RRNA A-Site,The compound act as antibiotic that bind to the ribosomal acyltransfer site of bacteria.,11916405,,,,,,"Haddad J, Kotra LP, Llano-Sotelo B, Kim C, Azucena EF Jr, Liu M, Vakulenko SB, Chow CS, Mobashery S. Design of novel antibiotics that bind to the ribosomal acyltransfer site. J Am Chem Soc. 2002 Apr 3;124(13):3229-37. doi: 10.1021/ja011695m. PMID: 11916405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11916405/,,,,,,Not Found,No,No,,,,
DBoRL255,biotin dimer,"5-{2-imino-hexahydro-1H-thieno[3,4-d]imidazol-4-yl}-N-(2-{2-[2-(5-{2-imino-hexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanamido)ethoxy]ethoxy}ethyl)pentanamide",N=C1NC2CSC(CCCCC(=O)NCCOCCOCCNC(=O)CCCCC3SCC4NC(=N)NC43)C2N1,"InChI=1/C26H46N8O4S2/c27-25-31-17-15-39-19(23(17)33-25)5-1-3-7-21(35)29-9-11-37-13-14-38-12-10-30-22(36)8-4-2-6-20-24-18(16-40-20)32-26(28)34-24/h17-20,23-24H,1-16H2,(H,29,35)(H,30,36)(H3,27,31,33)(H3,28,32,34)",XMWOFXQFNXHELL-UHFFFAOYNA-N,C26H46N8O4S2,Not Found,598.83,-0.323438733,8,10,19,4,B alpha aptamer,Biotin dimer binds and interacts with B alpha aptamer of RNA and inhibition the translation process.,11991640,,,,,,"Harvey I, Garneau P, Pelletier J. Inhibition of translation by RNA-small molecule interactions. RNA. 2002 Apr;8(4):452-63. doi: 10.1017/s135583820202633x. PMID: 11991640; PMCID: PMC1370268.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11991640/,,,,,,Not Found,No,No,,,,
DBoRL256,biotin PEO Amine,"N-{2-[2-(2-aminoethoxy)ethoxy]ethyl}-5-{2-imino-hexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanamide",N=C1NC2CSC(CCCCC(=O)NCCOCCOCCN)C2N1,"InChI=1/C16H31N5O3S/c17-5-7-23-9-10-24-8-6-19-14(22)4-2-1-3-13-15-12(11-25-13)20-16(18)21-15/h12-13,15H,1-11,17H2,(H,19,22)(H3,18,20,21)",WMXJWGHFRVRWAI-UHFFFAOYNA-N,C16H31N5O3S,Not Found,373.52,-0.919916212,5,7,13,2,B alpha aptamer,Biotin PEO Amine binds and interacts with B alpha aptamer of RNA and inhibition the translation process.,11991640,,,,,,"Harvey I, Garneau P, Pelletier J. Inhibition of translation by RNA-small molecule interactions. RNA. 2002 Apr;8(4):452-63. doi: 10.1017/s135583820202633x. PMID: 11991640; PMCID: PMC1370268.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11991640/,,,,,,Not Found,No,No,,,,
DBoRL257,Caffeine,"1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione",Cn1c(=O)c2c(ncn2C)n(C)c1=O,"InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3",RYYVLZVUVIJVGH-UHFFFAOYSA-N,C8H10N4O2,"58-08-2,114303-55-8",194.194,-0.545645592,0,3,0,2,Aptamer,Caffeine binds and interacts with B alpha aptamer of RNA and inhibition the translation process.,11991640,,,,,,"Harvey I, Garneau P, Pelletier J. Inhibition of translation by RNA-small molecule interactions. RNA. 2002 Apr;8(4):452-63. doi: 10.1017/s135583820202633x. PMID: 11991640; PMCID: PMC1370268.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11991640/,,,,,,2519,Yes,Yes,,DB00201,https://go.drugbank.com/drugs/DB00201,
DBoRL258,Acepromazine,1-{10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl}ethan-1-one,CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2,"InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3",NOSIYYJFMPDDSA-UHFFFAOYSA-N,C19H22N2OS,61-00-7,326.46,3.488603085,0,3,5,3,HIV-1 Trans Activating Region RNA,"HIV-1 TAR RNA functions critically in viral replication by binding the transactivating regulatory protein Tat. Acepromazine inhibit the Tat-TAR interaction completely. Hence, some interference occurs with viral replication.",12079782,,,,,,"Du Z, Lind KE, James TL. Structure of TAR RNA complexed with a Tat-TAR interaction nanomolar inhibitor that was identified by computational screening. Chem Biol. 2002 Jun;9(6):707-12. doi: 10.1016/s1074-5521(02)00151-5. PMID: 12079782.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12079782/,,,,,,6077,Yes,No,Experimental Vet_approved,DB01614,https://go.drugbank.com/drugs/DB01614,
DBoRL259,Tobramycin,"4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2",NLVFBUXFDBBNBW-UHFFFAOYNA-N,C18H37N5O9,Not Found,467.52,-6.477500565,10,14,6,3,16S rRNA A Site,"Tobramycin, an aminoglycoside antibiotic, target the decoding amino-acyl site (A site) on the 16S ribosomal RNA and induce miscoding during translation. The three aminosugar rings making up tobramycin interact with the deep-groove atoms directly or via water molecules and stabilize a fully bulged-out conformation of adenines A1492 and A1493. ",12079787,,,,,,"Vicens Q, Westhof E. Crystal structure of a complex between the aminoglycoside tobramycin and an oligonucleotide containing the ribosomal decoding a site. Chem Biol. 2002 Jun;9(6):747-55. doi: 10.1016/s1074-5521(02)00153-9. PMID: 12079787.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12079787/,,,,,,5496,Yes,Yes,Investigational,DB00684,https://go.drugbank.com/drugs/DB00684,
DBoRL260,Usnic acid,"4,10-diacetyl-11,13-dihydroxy-2,12-dimethyl-8-oxatricyclo[7.4.0.0?,?]trideca-1(9),6,10,12-tetraene-3,5-dione",CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(C(C)=O)C(=O)C12C,"InChI=1/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,11,22-23H,1-4H3",CUCUKLJLRRAKFN-UHFFFAOYNA-N,C18H16O7,Not Found,344.319,2.3895414,2,7,2,3,HIV-1 TAR RNA,Usnic acid is a drug compound that inhibits proliferation of mouse polyomavirus in vitro. The compound mainly targets RNA transcription.,12106911,,,,,,"Campanella L, Delfini M, Ercole P, Iacoangeli A, Risuleo G. Molecular characterization and action of usnic acid: a drug that inhibits proliferation of mouse polyomavirus in vitro and whose main target is RNA transcription. Biochimie. 2002 Apr;84(4):329-34. doi: 10.1016/s0300-9084(02)01386-x. PMID: 12106911.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12106911/,,,,,,5646,Yes,No,Experimental,DB13830,https://go.drugbank.com/drugs/DB13830,
DBoRL261,Azithromycin,"11-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-2-ethyl-3,4,10-trihydroxy-13-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one",CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O,"InChI=1/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3",MQTOSJVFKKJCRP-UHFFFAOYNA-N,C38H72N2O12,Not Found,748.996,2.444781599,5,13,7,3,50S ribosomal subunit,"Azithromycin binds in the polypeptide exit tunnel adjacent to the peptidyl transferase center. Their location suggests that they inhibit protein synthesis by blocking the egress of nascent polypeptides. The saccharide branch attached to C5 of the lactone rings extends toward the peptidyl transferase center, and the isobutyrate extension of the carbomycin A disaccharide overlaps the A-site. ",12150912,,,,,,"Hansen JL, Ippolito JA, Ban N, Nissen P, Moore PB, Steitz TA. The structures of four macrolide antibiotics bound to the large ribosomal subunit. Mol Cell. 2002 Jul;10(1):117-28. doi: 10.1016/s1097-2765(02)00570-1. PMID: 12150912.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12150912/,,,,,,2269,Yes,Yes,,DB00207,https://go.drugbank.com/drugs/DB00207,
DBoRL262,Carbomycin A,"6-[(6-{[7-(acetyloxy)-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl)oxy]-4-hydroxy-2,4-dimethyloxan-3-yl 3-methylbutanoate",COC1C(OC(C)=O)CC(=O)OC(C)CC2OC2C=CC(=O)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(OC(=O)CC(C)C)C(C)O2)C(N(C)C)C1O,"InChI=1/C42H67NO16/c1-21(2)16-32(47)57-40-25(6)53-34(20-42(40,8)50)58-37-24(5)54-41(36(49)35(37)43(9)10)59-38-27(14-15-44)17-22(3)28(46)12-13-29-30(56-29)18-23(4)52-33(48)19-31(39(38)51-11)55-26(7)45/h12-13,15,21-25,27,29-31,34-41,49-50H,14,16-20H2,1-11H3",FQVHOULQCKDUCY-UHFFFAOYNA-N,C42H67NO16,Not Found,841.989,2.950844614,2,14,14,4,50S Ribosomal Subunit,"Haloarcula marismortui large ribosomal subunit formed a complex with the 16-membered macrolide antibiotic carbomycin A. The compound bind in the polypeptide exit tunnel adjacent to the peptidyl transferase center. Their location suggests that they inhibit protein synthesis by blocking the egress of nascent polypeptides. The saccharide branch attached to C5 of the lactone rings extends toward the peptidyl transferase center, and the isobutyrate extension of the carbomycin A disaccharide overlaps the A-site.",12150912,,,,,,"Hansen JL, Ippolito JA, Ban N, Nissen P, Moore PB, Steitz TA. The structures of four macrolide antibiotics bound to the large ribosomal subunit. Mol Cell. 2002 Jul;10(1):117-28. doi: 10.1016/s1097-2765(02)00570-1. PMID: 12150912.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12150912/,,,,,,457814,Yes,No,Vet_approved,DB11383,https://go.drugbank.com/drugs/DB11383,
DBoRL263,Spiramycin ,"2-[6-({5-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl}oxy)-10-{[5-(dimethylamino)-6-methyloxan-2-yl]oxy}-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde",COC1C(O)CC(=O)OC(C)CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C(N(C)C)C1O,"InChI=1/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3",ACTOXUHEUCPTEW-UHFFFAOYNA-N,C43H74N2O14,Not Found,843.065,2.496113379,4,15,11,4,50S Ribosomal Subunit,Haloarcula marismortui large ribosomal subunit formed a complex with the 16-membered macrolide antibiotic Spiramycin. The compound bind in the polypeptide exit tunnel adjacent to the peptidyl transferase center. Their location suggests that they inhibit protein synthesis by blocking the egress of nascent polypeptides. ,12150912,,,,,,"Hansen JL, Ippolito JA, Ban N, Nissen P, Moore PB, Steitz TA. The structures of four macrolide antibiotics bound to the large ribosomal subunit. Mol Cell. 2002 Jul;10(1):117-28. doi: 10.1016/s1097-2765(02)00570-1. PMID: 12150912.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12150912/,,,,,,5266,Yes,Yes,,DB06145,https://go.drugbank.com/drugs/DB06145,
DBoRL264,Tylosin,"2-[6-({5-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl}oxy)-16-ethyl-4-hydroxy-15-{[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]methyl}-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde",CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(N(C)C)C2O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1COC1OC(C)C(O)C(OC)C1OC,"InChI=1/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3",WBPYTXDJUQJLPQ-UHFFFAOYNA-N,C46H77NO17,Not Found,916.112,2.315907304,5,17,13,4,50S ribosomal subunit,Haloarcula marismortui large ribosomal subunit formed a complex with the 16-membered macrolide antibiotic Tylosin. The compound binds in the polypeptide exit tunnel adjacent to the peptidyl transferase center. Their location suggests that they inhibit protein synthesis by blocking the egress of nascent polypeptides. ,12150912,,,,,,"Hansen JL, Ippolito JA, Ban N, Nissen P, Moore PB, Steitz TA. The structures of four macrolide antibiotics bound to the large ribosomal subunit. Mol Cell. 2002 Jul;10(1):117-28. doi: 10.1016/s1097-2765(02)00570-1. PMID: 12150912.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12150912/,,,,,,5062352,Yes,No,Vet_approved,DB11475,https://go.drugbank.com/drugs/DB11475,
DBoRL265,Pristinamycin IA,"N-(3-{[4-(dimethylamino)phenyl]methyl}-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentaazatricyclo[20.4.0.0?,??]hexacosan-15-yl)-3-hydroxypyridine-2-carboxamide",CCC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(c2ccccc2)NC(=O)C2CC(=O)CCN2C(=O)C(Cc2ccc(N(C)C)cc2)N(C)C(=O)C2CCCN2C1=O,"InChI=1/C45H54N8O10/c1-6-31-42(59)52-22-11-14-32(52)43(60)51(5)34(24-27-16-18-29(19-17-27)50(3)4)44(61)53-23-20-30(54)25-33(53)39(56)49-37(28-12-8-7-9-13-28)45(62)63-26(2)36(40(57)47-31)48-41(58)38-35(55)15-10-21-46-38/h7-10,12-13,15-19,21,26,31-34,36-37,55H,6,11,14,20,22-25H2,1-5H3,(H,47,57)(H,48,58)(H,49,56)",YGXCETJZBDTKRY-UHFFFAOYNA-N,C45H54N8O10,Not Found,866.973,1.961194364,4,11,7,6,50S Ribosomal Subunit,Pristinamycin IA binds in the polypeptide exit tunnel adjacent to the peptidyl transferase center of 50S Ribosomal Subunit and inhibit protein synthesis by blocking the egress of nascent polypeptides.,12150912,,,,,,"Hansen JL, Ippolito JA, Ban N, Nissen P, Moore PB, Steitz TA. The structures of four macrolide antibiotics bound to the large ribosomal subunit. Mol Cell. 2002 Jul;10(1):117-28. doi: 10.1016/s1097-2765(02)00570-1. PMID: 12150912.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12150912/,,,,,,14974,No,No,,,,
DBoRL266,Puromycin,2-amino-N-{5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}-3-(4-methoxyphenyl)propanamide,COc1ccc(CC(N)C(=O)NC2C(CO)OC(n3cnc4c(N(C)C)ncnc43)C2O)cc1,"InChI=1/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)",RXWNCPJZOCPEPQ-UHFFFAOYNA-N,C22H29N7O5,Not Found,471.518,-0.298739751,4,10,8,4,50S Ribosomal subunit,"N-acetylated derivative of CC-puromycin, likewise binds in the Psite of 50S Ribosomal subunit in the presence of sparsomycin, but it binds only to the A sitein the absence of sparsomycin. ",12185246,,,,,,"Hansen JL, Schmeing TM, Moore PB, Steitz TA. Structural insights into peptide bond formation. Proc Natl Acad Sci U S A. 2002 Sep 3;99(18):11670-5. doi: 10.1073/pnas.172404099. Epub 2002 Aug 16. PMID: 12185246; PMCID: PMC129327.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12185246/,,,,,,4984,Yes,No,Experimental,DB08437,https://go.drugbank.com/drugs/DB08437,
DBoRL267,Deoxy adenosylcobalamin,"{[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}[4,9,14-tris(2-carbamoylethyl)-3,8,19-tris(carbamoylmethyl)-18-[2-({2-[({[5-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]propyl}carbamoyl)ethyl]-2,3,6,8,13,13,16,18-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1?,?.1?,??.1??,??]tricosa-5(23),6,10(22),11,15(21),16-hexaen-20-yl]cobaltylium",CC1=C2N=C(C=C3N=C(C(C)=C4N([Co+]CC5OC(n6cnc7c(N)ncnc76)C(O)C5O)C(C(CC(N)=O)C4(C)CCC(=O)NCC(C)OP(=O)(O)OC4C(CO)OC(n5cnc6cc(C)c(C)cc65)C4O)C4(C)N=C1C(CCC(N)=O)C4(C)CC(N)=O)C(CCC(N)=O)C3(C)C)C(CCC(N)=O)C2(C)CC(N)=O,"InChI=1/C62H90N13O14P.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1",ZIHHMGTYZOSFRC-UHFFFAOYNA-M,C72H101CoN18O17P,Not Found,1580.61,-5.513339464,13,24,30,11,Riboswitch,Deoxy adenosyl cobalamin binds with metabolite binding mRNA and control gene regulation. The mRNA serves as a metabolite sensing genetic switch by selectively bind without need for proteins. This binding event establishes a distinct RNA structure that likely to e responsible for inhibition of ribosome binding and consequent reduction of synthesis.,12323379,,,,,,"Nahvi A, Sudarsan N, Ebert MS, Zou X, Brown KL, Breaker RR. Genetic control by a metabolite binding mRNA. Chem Biol. 2002 Sep;9(9):1043. doi: 10.1016/s1074-5521(02)00224-7. PMID: 12323379.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12323379/,,,,,,Not Found,No,No,,,,
DBoRL268,Paromomycin,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2",UOZODPSAJZTQNH-UHFFFAOYNA-N,C23H45N5O14,Not Found,615.634,-8.308295949,13,19,9,4,30S Ribosomal subunit,"30S ribosomal sub-unit with codon and near-cognate tRNA anticodon stem loops bound at the decoding center and compare affinities of equivalent complexes in solution. In ribosomal interactions with near-cognate tRNA, deviation from Watson-Crick geometry results in uncompensated desolvation of hydrogen-bonding partners at the codon-anticodon minor groove. As a result, the transition to a closed form of the 30S induced by cognate tRNA is unfavourable for near-cognate tRNA unless paromomycin induces part of the rearrangement. Stabilization of a closed 30S conformation is required for tRNA selection.",12464183,,,,,,"Ogle JM, Murphy FV, Tarry MJ, Ramakrishnan V. Selection of tRNA by the ribosome requires a transition from an open to a closed form. Cell. 2002 Nov 27;111(5):721-32. doi: 10.1016/s0092-8674(02)01086-3. PMID: 12464183.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12464183/,,,,,,4689,Yes,Yes,Investigational,DB01421,https://go.drugbank.com/drugs/DB01421,
DBoRL269,Paromamine,"5-amino-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-2-(hydroxymethyl)oxane-3,4-diol",NC1CC(N)C(OC2OC(CO)C(O)C(O)C2N)C(O)C1O,"InChI=1/C12H25N3O7/c13-3-1-4(14)11(10(20)7(3)17)22-12-6(15)9(19)8(18)5(2-16)21-12/h3-12,16-20H,1-2,13-15H2",JGSMDVGTXBPWIM-UHFFFAOYNA-N,C12H25N3O7,Not Found,323.346,-5.183196007,8,10,3,2,Human A-site,"In human the A site (acceptor site), binds to the aminoacyl tRNA, which holds the new amino acid to be added to the polypeptide chain. Paromamine binds with A site and interferes with the translation process.",12465030,,,,,," Simonsen KB, Ayida BK, Vourloumis D, Takahashi M, Winters GC, Barluenga S, Qamar S, Shandrick S, Zhao Q, Hermann T. Novel paromamine derivatives exploring shallow-groove recognition of ribosomal-decoding-site RNA. Chembiochem. 2002 Dec 2;3(12):1223-8. doi: 10.1002/1439-7633(20021202)3:12<1223::AID-CBIC1223>3.0.CO;2-W. PMID: 12465030. ",,,,,,https://pubmed.ncbi.nlm.nih.gov/12465030/,,,,,,4475106,Yes,No,Experimental,DB04808,https://go.drugbank.com/drugs/DB04808,This is the isomeric form of the drug approved by USFDA.
DBoRL270,Sparsomycin,"N-[1-hydroxy-3-(methylsulfanyl)methanesulfinylpropan-2-yl]-3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)prop-2-enamide",CSCS(=O)CC(CO)NC(=O)C=Cc1c(C)[nH]c(=O)[nH]c1=O,"InChI=1/C13H19N3O5S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-23(21)7-22-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)",XKLZIVIOZDNKEQ-UHFFFAOYNA-N,C13H19N3O5S2,Not Found,361.43,-2.48215071,4,5,8,1,50S Large ribosomal subunit from Deinococcus radiodurans ,"Sparsomycin is a potent ribosome-target inhibitor that can act on all cell types. Sparsomycin binds to 50S Large ribosomal subunit from Deinococcus radiodurans. Sparsomycin binds to A2602 and alters the peptidyl-transferase center (PTC) conformation. Hence, the translation process get interfered.",12535524,,,,,,"Bashan A, Agmon I, Zarivach R, Schluenzen F, Harms J, Berisio R, Bartels H, Franceschi F, Auerbach T, Hansen HA, Kossoy E, Kessler M, Yonath A. Structural basis of the ribosomal machinery for peptide bond formation, translocation, and nascent chain progression. Mol Cell. 2003 Jan;11(1):91-102. doi: 10.1016/s1097-2765(03)00009-1. PMID: 12535524.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12535524/,,,,,,14967,Yes,No,Experimental,DB04222,https://go.drugbank.com/drugs/DB04222,This is the isomeric form of the drug approved by USFDA.
DBoRL271,Geneticin,"2-[(4,6-diamino-3-{[3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diol",CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(C(C)O)C(O)C(O)C3N)C2O)OCC1(C)O,"InChI=1/C20H40N4O10/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19/h6-19,24-30H,4-5,21-23H2,1-3H3",BRZYSWJRSDMWLG-UHFFFAOYNA-N,C20H40N4O10,Not Found,496.558,-5.30084642,10,14,6,3,Eubacterial 16S rRNA A site,Geneticin bound to Bacterial 16 S Ribosomal RNA A Site & interfere the protein synthesis.   ,12589761,,,,,,"Vicens Q, Westhof E. Crystal structure of geneticin bound to a bacterial 16S ribosomal RNA A site oligonucleotide. J Mol Biol. 2003 Feb 28;326(4):1175-88. doi: 10.1016/s0022-2836(02)01435-3. PMID: 12589761.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12589761/,,,,,,354578,Yes,No,Experimental,DB04263,https://go.drugbank.com/drugs/DB04263,
DBoRL272,Wm5,"6-amino-1-methyl-4-oxo-7-[4-(pyridin-2-yl)piperazin-1-yl]-1,4-dihydroquinoline-3-carboxylic acid",Cn1cc(C(=O)O)c(=O)c2cc(N)c(N3CCN(c4ccccn4)CC3)cc21,"InChI=1S/C20H21N5O3/c1-23-12-14(20(27)28)19(26)13-10-15(21)17(11-16(13)23)24-6-8-25(9-7-24)18-4-2-3-5-22-18/h2-5,10-12H,6-9,21H2,1H3,(H,27,28)",JZAYPNOYPQPYNB-UHFFFAOYSA-N,C20H21N5O3,Not Found,379.42,1.124083536,2,8,3,4,HIV-1 TAR ,"WM5, a 6-aminoquinolone derivative, which bears a methyl substituent at the N-1 position and a 4-(2- pyridyl)-1-piperazine moiety at position 7 of the bicyclic quinolone ring system, has the potential to exhibit potent activity against replication of human immunodeficiency virus type 1 (HIV-1) in de novo-infected human lymphoblastoid cells. WM5 inhibited HIV-1 replication in acutely infected cells as well as in chronically infected cells. WM5 has no effect on reverse transcriptase activity and the integrase and protease activities. But, WM5 has effect on the replicative potential of HIV-1 in a single round of infection. A sustained inhibition of Tat-mediated long terminal repeat (LTR)-driven transcription was obtained in the presence of WM5. WM5 has the ability to efficiently complex with TAR RNA, with a dissociation constant in the nanomolar range. So, WM5 is a promising lead compound for the development of a new class of HIV-1 transcription inhibitors characterized by recognition of viral RNA target(s).",12604517,,,,,,"Parolin C, Gatto B, Del Vecchio C, Pecere T, Tramontano E, Cecchetti V, Fravolini A, Masiero S, Palumbo M, Pal? G. New anti-human immunodeficiency virus type 1 6-aminoquinolones: mechanism of action. Antimicrob Agents Chemother. 2003 Mar;47(3):889-96. doi: 10.1128/aac.47.3.889-896.2003. PMID: 12604517; PMCID: PMC149318.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12604517/,,,,,,481127,No,No,,,,
DBoRL273,Streptomycin,"N''-{3-[(diaminomethylidene)amino]-4-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-2,5,6-trihydroxycyclohexyl}guanidine",CNC1C(OC2C(OC3C(O)C(O)C(N=C(N)N)C(O)C3N=C(N)N)OC(C)C2(O)C=O)OC(CO)C(O)C1O,"InChI=1/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)",UCSJYZPVAKXKNQ-UHFFFAOYNA-N,C21H39N7O12,Not Found,581.58,-7.059776897,12,19,9,3,Aptamer,"Streptomycin, an aminocyclitol antibiotic, interacts with the central domain of 16S ribo-somal RNA and also inhibits group I intron splicing. ",12618190,,,,,,"Tereshko V, Skripkin E, Patel DJ. Encapsulating streptomycin within a small 40-mer RNA. Chem Biol. 2003;10(2):175-187. doi:10.1016/s1074-5521(03)00024-3",,,,,,https://pubmed.ncbi.nlm.nih.gov/12618190/,,,,,,5297,Yes,Yes,Vet_approved,DB01082,https://go.drugbank.com/drugs/DB01082,This is the isomeric form of the drug approved by USFDA.
DBoRL274,2-Aminopyridine derivative 5,"N1-(6-methylpyridin-2-yl)ethane-1,2-diamine",Cc1cccc(NCCN)n1,"InChI=1S/C8H13N3/c1-7-3-2-4-8(11-7)10-6-5-9/h2-4H,5-6,9H2,1H3,(H,10,11)",DIISTLIQPFNXIB-UHFFFAOYSA-N,C8H13N3,193473-60-8,151.213,0.157195407,2,3,3,1,16s rRNA A SITE,"2-Aminopyridine derivative 5, an aminoglycoside mimetic, targets and binds with bacterial 16s rRNA A site and interfere with the translation process.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,22118602,No,No,,,,
DBoRL275,2-Aminopyridine derivative 6,{6-[(2-aminoethyl)amino]pyridin-3-yl}azinic acid,NCCNC1=CC=C(C=N1)N(O)=O,"InChI=1/C7H12N4O2/c8-3-4-9-7-2-1-6(5-10-7)11(12)13/h1-2,5,11H,3-4,8H2,(H,9,10)(H,12,13)",MVPBVLLONIKBKV-UHFFFAOYNA-N,C7H12N4O2,Not Found,184.199,-4.9414,4,6,4,1,16s rRNA A SITE,"2-Aminopyridine derivative 6, an aminoglycoside mimetic, targets and binds with bacterial 16s rRNA A site and interfere with the translation process.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,Not Found,No,No,,,,
DBoRL276,"1-(2,4-Dimethoxybenzyl)-4-methyl-1,4-diazepane","1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane",COc1ccc(CN2CCCN(C)CC2)c(OC)c1,"InChI=1S/C15H24N2O2/c1-16-7-4-8-17(10-9-16)12-13-5-6-14(18-2)11-15(13)19-3/h5-6,11H,4,7-10,12H2,1-3H3",XVRHKHGKCZWMNN-UHFFFAOYSA-N,C15H24N2O2,Not Found,264.369,1.50637937,0,4,4,2,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 1-(2,4-Dimethoxybenzyl)-4-methyl-1,4-diazepane (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,763014,No,No,,,,
DBoRL277,1-(4-chlorobenzyl)-N-(2-morpholinoethyl)piperidine-4-carboxamide,1-[(4-chlorophenyl)methyl]-N-[2-(morpholin-4-yl)ethyl]piperidine-4-carboxamide,O=C(NCCN1CCOCC1)C1CCN(Cc2ccc(Cl)cc2)CC1,"InChI=1S/C19H28ClN3O2/c20-18-3-1-16(2-4-18)15-23-8-5-17(6-9-23)19(24)21-7-10-22-11-13-25-14-12-22/h1-4,17H,5-15H2,(H,21,24)",SJYNFRSAZZMONH-UHFFFAOYSA-N,C19H28ClN3O2,Not Found,365.9,1.808675427,1,4,6,3,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 1-(4-chlorobenzyl)-N-(2-morpholinoethyl)piperidine-4-carboxamide (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,25250022,No,No,,,,
DBoRL278,"1,3-Bis(piperidin-1-ylmethyl)imidazolidine-2-thione","1,3-bis[(piperidin-1-yl)methyl]imidazolidine-2-thione",S=C1N(CN2CCCCC2)CCN1CN1CCCCC1,InChI=1S/C15H28N4S/c20-15-18(13-16-7-3-1-4-8-16)11-12-19(15)14-17-9-5-2-6-10-17/h1-14H2,CCMPHOBVVMUPII-UHFFFAOYSA-N,C15H28N4S,1600-65-3,296.48,2.207438235,0,2,4,3,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 1,3-Bis(piperidin-1-ylmethyl)imidazolidine-2-thione (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,272041,No,No,,,,
DBoRL279,"1,4-bis((1H-indol-3-yl)methyl)piperazine",3-({4-[(indol-3-yl)methyl]piperazin-1-yl}methyl)indole,C(N1CCN(Cc2cnc3ccccc23)CC1)c1cnc2ccccc12,"InChI=1S/C22H22N4/c1-3-7-21-19(5-1)17(13-23-21)15-25-9-11-26(12-10-25)16-18-14-24-22-8-4-2-6-20(18)22/h1-8,13-14H,9-12,15-16H2",JBCMWQAKBWBLGH-UHFFFAOYSA-N,C22H22N4,Not Found,342.446,3.143795985,0,4,4,5,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 1,4-bis((1H-indol-3-yl)methyl)piperazine (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,412865,No,No,,,,
DBoRL280,"2-((2,2,6,6-tetramethylpiperidin-4-ylamino)methyl)phenol ","2-{[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl}phenol",CC1(C)CC(CC(C)(C)N1)NCc1ccccc1O,"InChI=1S/C16H26N2O/c1-15(2)9-13(10-16(3,4)18-15)17-11-12-7-5-6-8-14(12)19/h5-8,13,17-19H,9-11H2,1-4H3",ISXGYJNEVXELQL-UHFFFAOYSA-N,C16H26N2O,68617-71-0,262.397,1.07780302,3,3,3,2,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 2-((2,2,6,6-tetramethylpiperidin-4-ylamino)methyl)phenol (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,566707,No,No,,,,
DBoRL281,2-(hydroxymethyl)-5-(5-phenyl-4-(quinolin-3-yl)-1H-imidazol-2-yl)pheno,2-(hydroxymethyl)-5-[4-phenyl-5-(quinolin-3-yl)-1H-imidazol-2-yl]phenol,OCc1ccc(cc1O)-c1nc(c([nH]1)-c1cnc2ccccc2c1)-c1ccccc1,"InChI=1S/C25H19N3O2/c29-15-19-11-10-18(13-22(19)30)25-27-23(16-6-2-1-3-7-16)24(28-25)20-12-17-8-4-5-9-21(17)26-14-20/h1-14,29-30H,15H2,(H,27,28)",OUVWBJGYUWDGLR-UHFFFAOYSA-N,C25H19N3O2,Not Found,393.446,4.566587782,3,4,4,5,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 2-(hydroxymethyl)-5-(5-phenyl-4-(quinolin-3-yl)-1H-imidazol-2-yl)pheno (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,Not Found,No,No,,,,
DBoRL282,"2,7-Quinolinediamine","N2,N7,N7-trimethylquinoline-2,7-diamine",CNc1ccc2ccc(N(C)C)cc2n1,"InChI=1S/C12H15N3/c1-13-12-7-5-9-4-6-10(15(2)3)8-11(9)14-12/h4-8H,1-3H3,(H,13,14)",UVOZNPAUGBFZSH-UHFFFAOYSA-N,C12H15N3,114058-69-4,201.273,2.306179987,1,3,2,2,Ribosomal RNA A-site,"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 2,7-Quinolinediamine (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Discovery of Aminoglycoside Mimetics by NMR-Based Screening of Escherichia coli A-site RNA
Liping Yu, Thorsten K. Oost, Jeffrey M. Schkeryantz, Jianguo Yang, Dave Janowick, and Stephen W. Fesik
Journal of the American Chemical Society 2003 125 (15), 4444-4450
DOI: 10.1021/ja021354o ",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,339548,No,No,,,,
DBoRL283,"2-Amino-5,6-dimethylbenzimidazole","5,6-dimethyl-1H-1,3-benzodiazol-2-amine",Cc1cc2nc(N)[nH]c2cc1C,"InChI=1S/C9H11N3/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H3,10,11,12)",YPFQISHSXCFZMU-UHFFFAOYSA-N,C9H11N3,29096-75-1,161.208,2.141670829,2,2,0,2,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 2-Amino-5,6-dimethylbenzimidazole (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,93125,No,No,,,,
DBoRL284,2-Aminobenzimidazole,"1H-1,3-benzodiazol-2-amine",Nc1nc2ccccc2[nH]1,"InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)",JWYUFVNJZUSCSM-UHFFFAOYSA-N,C7H7N3,"934-32-7,162938-41-2",133.154,1.11482805,2,2,0,2,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 2-Aminobenzimidazole (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site. ",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,13624,No,No,,,,
DBoRL285,2-Aminoquinoline,quinolin-2-amine,Nc1ccc2ccccc2n1,"InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)",GCMNJUJAKQGROZ-UHFFFAOYSA-N,C9H8N2,"580-22-3,101772-05-8,139265-95-5,31135-62-3",144.177,1.896432047,1,2,0,2,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 2-Aminoquinoline (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,11379,No,No,,,,
DBoRL286,"2-N,2-N,4-Trimethylquinoline-2,7-diamine","N2,N2,4-trimethylquinoline-2,7-diamine",Cc1cc(N(C)C)nc2cc(N)ccc12,"InChI=1S/C12H15N3/c1-8-6-12(15(2)3)14-11-7-9(13)4-5-10(8)11/h4-7H,13H2,1-3H3",LAFRRPGYWLOFST-UHFFFAOYSA-N,C12H15N3,114058-78-5,201.273,2.517897295,1,3,1,2,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 2-N,2-N,4-Trimethylquinoline-2,7-diamine (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,326802,No,No,,,,
DBoRL287,2-nitro-5-(piperazin-1-yl)-N-(2-(o-tolyloxy)ethyl)aniline,N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-(piperazin-1-yl)aniline,Cc1ccccc1OCCNc1cc(N2CCNCC2)ccc1[N+](=O)[O-],"InChI=1S/C19H24N4O3/c1-15-4-2-3-5-19(15)26-13-10-21-17-14-16(6-7-18(17)23(24)25)22-11-8-20-9-12-22/h2-7,14,20-21H,8-13H2,1H3",VXFJHTLURWORGX-UHFFFAOYSA-N,C19H24N4O3,Not Found,356.426,3.765594629,2,6,7,3,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 2-nitro-5-(piperazin-1-yl)-N-(2-(o-tolyloxy)ethyl)aniline (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,3142696,No,No,,,,
DBoRL288,3-(1H-Benzimidazol-2-yl)-6-ethyl-7-hydroxy-8-(morpholin-4-ylmethyl)-4H-chromen-4-one,"3-(1H-1,3-benzodiazol-2-yl)-6-ethyl-7-hydroxy-8-[(morpholin-4-yl)methyl]-4H-chromen-4-one",CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(CN2CCOCC2)c1O,"InChI=1S/C23H23N3O4/c1-2-14-11-15-21(28)17(23-24-18-5-3-4-6-19(18)25-23)13-30-22(15)16(20(14)27)12-26-7-9-29-10-8-26/h3-6,11,13,27H,2,7-10,12H2,1H3,(H,24,25)",DSYQEYPVKFDJDP-UHFFFAOYSA-N,C23H23N3O4,222716-54-3,405.454,2.437188086,2,6,4,5,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 3-(1H-Benzimidazol-2-yl)-6-ethyl-7-hydroxy-8-(morpholin-4-ylmethyl)-4H-chromen-4-one (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,1130510,No,No,,,,
DBoRL289,"3-(3-(4-methylpiperazin-1-yl)propyl)-3H-pyrimido[5,4-b]indol-4(5H)-one","3-[3-(4-methylpiperazin-1-yl)propyl]pyrimido[5,4-b]indol-4-one",CN1CCN(CCCn2cnc3c4ccccc4nc3c2=O)CC1,"InChI=1S/C18H22N5O/c1-21-9-11-22(12-10-21)7-4-8-23-13-19-16-14-5-2-3-6-15(14)20-17(16)18(23)24/h2-3,5-6,13H,4,7-12H2,1H3",BKFSHEXYTXUBFK-UHFFFAOYSA-N,C18H22N5O,Not Found,324.408,0.892852928,0,5,4,4,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 3-(3-(4-methylpiperazin-1-yl)propyl)-3H-pyrimido[5,4-b]indol-4(5H)-one (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,933200,No,No,,,,
DBoRL290,3-(Azepan-1-ylmethyl)-2-methylquinolin-4-ol,"3-[(azepan-1-yl)methyl]-2-methyl-1,4-dihydroquinolin-4-one",Cc1[nH]c2ccccc2c(=O)c1CN1CCCCCC1,"InChI=1S/C17H22N2O/c1-13-15(12-19-10-6-2-3-7-11-19)17(20)14-8-4-5-9-16(14)18-13/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,18,20)",ZOENMKUBWJAJJO-UHFFFAOYSA-N,C17H22N2O,Not Found,270.376,3.270463326,1,3,2,3,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 3-(Azepan-1-ylmethyl)-2-methylquinolin-4-ol (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,728816,No,No,,,,
DBoRL291,"3-Methyl-7-[2-(piperidin-1-yl)ethyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione","3-methyl-7-[2-(piperidin-1-yl)ethyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione",Cn1c(=O)[nH]c(=O)c2c1ncn2CCN1CCCCC1,"InChI=1S/C13H19N5O2/c1-16-11-10(12(19)15-13(16)20)18(9-14-11)8-7-17-5-3-2-4-6-17/h9H,2-8H2,1H3,(H,15,19,20)",YAUFBKQYEZCSRB-UHFFFAOYSA-N,C13H19N5O2,335403-11-7,277.328,-0.192487143,1,4,3,3,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 3-Methyl-7-[2-(piperidin-1-yl)ethyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,659131,No,No,,,,
DBoRL292,4-(4-Chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine,4-(4-chlorophenyl)-N-[2-(pyrrolidin-1-yl)ethyl]phthalazin-1-amine,Clc1ccc(-c2nnc(NCCN3CCCC3)c3ccccc23)cc1,"InChI=1S/C20H21ClN4/c21-16-9-7-15(8-10-16)19-17-5-1-2-6-18(17)20(24-23-19)22-11-14-25-12-3-4-13-25/h1-2,5-10H,3-4,11-14H2,(H,22,24)",CGRKUVBDRMBTHL-UHFFFAOYSA-N,C20H21ClN4,Not Found,352.87,3.894078204,1,4,5,4,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 4-(4-Chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,1069155,No,No,,,,
DBoRL293,"4,6-bis(piperidin-1-ylmethyl)-2-p-tolylpyridin-3-ol","2-(4-methylphenyl)-4,6-bis[(piperidin-1-yl)methyl]pyridin-3-ol",Cc1ccc(-c2nc(CN3CCCCC3)cc(CN3CCCCC3)c2O)cc1,"InChI=1S/C24H33N3O/c1-19-8-10-20(11-9-19)23-24(28)21(17-26-12-4-2-5-13-26)16-22(25-23)18-27-14-6-3-7-15-27/h8-11,16,28H,2-7,12-15,17-18H2,1H3",SLQXSPDKMZEODT-UHFFFAOYSA-N,C24H33N3O,Not Found,379.548,3.699812644,1,4,5,4,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 4,6-bis(piperidin-1-ylmethyl)-2-p-tolylpyridin-3-ol (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,1068918,No,No,,,,
DBoRL294,"4,6-Dimethyl-1H-benzimidazol-2-amine","4,6-dimethyl-1H-1,3-benzodiazol-2-amine",Cc1cc(C)c2nc(N)[nH]c2c1,"InChI=1S/C9H11N3/c1-5-3-6(2)8-7(4-5)11-9(10)12-8/h3-4H,1-2H3,(H3,10,11,12)",RIBRJYQGDNOFEF-UHFFFAOYSA-N,C9H11N3,67469-39-0,161.208,2.141670829,2,2,0,2,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 4,6-Dimethyl-1H-benzimidazol-2-amine (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,19017773,No,No,,,,
DBoRL295,"4-[4,5-Bis(azepan-1-ylmethyl)triazol-1-yl]-1,2,5-oxadiazol-3-amine","4-{4,5-bis[(azepan-1-yl)methyl]-1H-1,2,3-triazol-1-yl}-1,2,5-oxadiazol-3-amine",Nc1nonc1-n1nnc(CN2CCCCCC2)c1CN1CCCCCC1,"InChI=1S/C18H30N8O/c19-17-18(22-27-21-17)26-16(14-25-11-7-3-4-8-12-25)15(20-23-26)13-24-9-5-1-2-6-10-24/h1-14H2,(H2,19,21)",HNYCNUQWKZJMTI-UHFFFAOYSA-N,C18H30N8O,"5175-79-1,304688-95-7",374.493,2.101159007,1,7,5,4,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 4-[4,5-Bis(azepan-1-ylmethyl)triazol-1-yl]-1,2,5-oxadiazol-3-amine (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,1915272,No,No,,,,
DBoRL296,"4-hydroxy-2-oxo-N-(3-(piperidin-1-yl)propyl)-1,2-dihydroquinoline-3-carboxamide",4-hydroxy-2-oxo-N-[3-(piperidin-1-yl)propyl]quinoline-3-carboxamide,Oc1c(C(=O)NCCCN2CCCCC2)c(=O)nc2ccccc12,Unable to Compute,Unable to Compute,C18H22N3O3,Not Found,328.392,2.402400906,2,5,5,3,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 4-hydroxy-2-oxo-N-(3-(piperidin-1-yl)propyl)-1,2-dihydroquinoline-3-carboxamide (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,Not Found,No,No,,,,
DBoRL297,"4-hydroxy-2-oxo-N-(3-(piperidin-1-yl)propyl)-1,2,3,4,5,6,7,8-octahydroquinoline-3-carboxamide ","4-hydroxy-2-oxo-N-[3-(piperidin-1-yl)propyl]-1,2,3,4,5,6,7,8-octahydroquinoline-3-carboxamide",O=C(NCCCN1CCCCC1)C1C(=O)NC2=C(CCCC2)C1O,"InChI=1/C18H29N3O3/c22-16-13-7-2-3-8-14(13)20-18(24)15(16)17(23)19-9-6-12-21-10-4-1-5-11-21/h15-16,22H,1-12H2,(H,19,23)(H,20,24)",YMNBBESFQVHIAX-UHFFFAOYNA-N,C18H29N3O3,Not Found,335.448,-0.298516667,3,4,5,3,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 4-hydroxy-2-oxo-N-(3-(piperidin-1-yl)propyl)-1,2,3,4,5,6,7,8-octahydroquinoline-3-carboxamide  (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,Not Found,No,No,,,,
DBoRL298,4-Methylquinolin-2-amine,4-methylquinolin-2-amine,Cc1cc(N)nc2ccccc12,"InChI=1S/C10H10N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3,(H2,11,12)",LAKQBTPNPXHTNB-UHFFFAOYSA-N,C10H10N2,27063-27-0,158.204,2.409853437,1,2,0,2,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 4-Methylquinolin-2-amine (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,231935,No,No,,,,
DBoRL299,"5,6-Dimethylbenzimidazole","5,6-dimethyl-1H-1,3-benzodiazole",Cc1cc2nc[nH]c2cc1C,"InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)",LJUQGASMPRMWIW-UHFFFAOYSA-N,C9H10N2,582-60-5,146.193,2.286346778,1,1,0,2,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 5,6-Dimethylbenzimidazole (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,675,Yes,No,Experimental,DB02591,https://go.drugbank.com/drugs/DB02591,
DBoRL300,5E1bromophenyl52piperazin1 ,"(5E)-1-(4-bromophenyl)-5-({[2-(piperazin-1-yl)ethyl]amino}methylidene)pyrimidine-2,4,6-trione",Brc1ccc(cc1)-[n]1c(=O)nc(=O)\c(=C/NCCN2CCNCC2)c1=O,Unable to Compute,Unable to Compute,C17H19BrN5O3,Not Found,421.275,0.4647,2,7,5,3,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 5E1bromophenyl52piperazin1  (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,Not Found,No,No,,,,
DBoRL301,"6,7-dimethyl-1H-1,3-benzodiazol-2-amine","6,7-dimethyl-1H-1,3-benzodiazol-2-amine",Cc1ccc2nc(N)[nH]c2c1C,"InChI=1S/C9H11N3/c1-5-3-4-7-8(6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H3,10,11,12)",UGQOAAAVARWPRF-UHFFFAOYSA-N,C9H11N3,Not Found,161.208,2.141670829,2,2,0,2,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 6,7-dimethyl-1H-1,3-benzodiazol-2-amine (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,19017763,No,No,,,,
DBoRL302,"6-chloro-3-((4-methyl-1,4-diazepan-1-yl)methyl)-4H-chromen-4-one","6-chloro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-4H-chromen-4-one",CN1CCCN(Cc2coc3ccc(Cl)cc3c2=O)CC1,"InChI=1S/C16H19ClN2O2/c1-18-5-2-6-19(8-7-18)10-12-11-21-15-4-3-13(17)9-14(15)16(12)20/h3-4,9,11H,2,5-8,10H2,1H3",WBIHLYPOVQSKFR-UHFFFAOYSA-N,C16H19ClN2O2,Not Found,306.79,2.004130421,0,4,2,3,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 6-chloro-3-((4-methyl-1,4-diazepan-1-yl)methyl)-4H-chromen-4-one (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,23769929,No,No,,,,
DBoRL303,"6-Methyl-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-4H-chromen-4-one","6-methyl-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-4H-chromen-4-one",Cc1ccc2occ(CN3CCCN(C)CC3)c(=O)c2c1,"InChI=1S/C17H22N2O2/c1-13-4-5-16-15(10-13)17(20)14(12-21-16)11-19-7-3-6-18(2)8-9-19/h4-5,10,12H,3,6-9,11H2,1-2H3",HXQXHODAKGMWJE-UHFFFAOYSA-N,C17H22N2O2,Not Found,286.375,1.913507134,0,4,2,3,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 6-Methyl-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-4H-chromen-4-one (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,24015721,No,No,,,,
DBoRL304,"7-(2-(azocan-1-yl)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione","7-[2-(azocan-1-yl)ethyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione",Cn1c(=O)[nH]c(=O)c2c1ncn2CCN1CCCCCCC1,"InChI=1S/C15H23N5O2/c1-18-13-12(14(21)17-15(18)22)20(11-16-13)10-9-19-7-5-3-2-4-6-8-19/h11H,2-10H2,1H3,(H,17,21,22)",IIIPLLGNBXFEFE-UHFFFAOYSA-N,C15H23N5O2,Not Found,305.382,0.435510696,1,4,3,3,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 7-(2-(azocan-1-yl)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,Not Found,No,No,,,,
DBoRL305,"7-Benzyl-3-methyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione","7-benzyl-3-methyl-8-(piperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione",Cn1c(=O)[nH]c(=O)c2c1nc(N1CCNCC1)n2Cc1ccccc1,"InChI=1S/C17H20N6O2/c1-21-14-13(15(24)20-17(21)25)23(11-12-5-3-2-4-6-12)16(19-14)22-9-7-18-8-10-22/h2-6,18H,7-11H2,1H3,(H,20,24,25)",OSWQQKHGTFZUND-UHFFFAOYSA-N,C17H20N6O2,299419-33-3,340.387,0.875138532,2,5,3,4,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 7-Benzyl-3-methyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,679638,No,No,,,,
DBoRL306,7-Hydroxy-3-(2-methoxyphenyl)-8-(piperidin-1-ylmethyl)-4H-chromen-4-one,7-hydroxy-3-(2-methoxyphenyl)-8-[(piperidin-1-yl)methyl]-4H-chromen-4-one,COc1ccccc1-c1coc2c(CN3CCCCC3)c(O)ccc2c1=O,"InChI=1S/C22H23NO4/c1-26-20-8-4-3-7-15(20)18-14-27-22-16(21(18)25)9-10-19(24)17(22)13-23-11-5-2-6-12-23/h3-4,7-10,14,24H,2,5-6,11-13H2,1H3",BGJFCGHBDZWWLH-UHFFFAOYSA-N,C22H23NO4,303121-24-6,365.429,2.321559957,1,5,4,4,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 7-Hydroxy-3-(2-methoxyphenyl)-8-(piperidin-1-ylmethyl)-4H-chromen-4-one (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,5438997,No,No,,,,
DBoRL307,"8-bromo-3-(2-(piperazin-1-yl)ethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one","8-bromo-3-[2-(piperazin-1-yl)ethyl]pyrimido[5,4-b]indol-4-one",Brc1ccc2nc3c(ncn(CCN4CCNCC4)c3=O)c2c1,Unable to Compute,Unable to Compute,C16H17BrN5O,Not Found,375.25,1.218597877,1,5,3,4,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 8-bromo-3-(2-(piperazin-1-yl)ethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,1917662,No,No,,,,
DBoRL308,"8-methyl-3-(2-(pyrrolidin-1-yl)ethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one","8-methyl-3-[2-(pyrrolidin-1-yl)ethyl]pyrimido[5,4-b]indol-4-one",Cc1ccc2nc3c(ncn(CCN4CCCC4)c3=O)c2c1,Unable to Compute,Unable to Compute,C17H19N4O,Not Found,295.366,1.904992466,0,4,3,4,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). 8-methyl-3-(2-(pyrrolidin-1-yl)ethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,920188,No,No,,,,
DBoRL309,Benzodiazolyl methyl sulfanylmethanimidamide,"({[1-(2-phenylethyl)-1H-1,3-benzodiazol-2-yl]methyl}sulfanyl)methanimidamide",N=C(N)SCc1nc2ccccc2n1CCc1ccccc1,"InChI=1S/C17H18N4S/c18-17(19)22-12-16-20-14-8-4-5-9-15(14)21(16)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H3,18,19)",AQEQOCLXTPRSAJ-UHFFFAOYSA-N,C17H18N4S,Not Found,310.42,3.422834742,2,3,6,3,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). Benzodiazolyl methyl sulfanylmethanimidamide (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,596510,No,No,,,,
DBoRL310,Biphenyl Derivative,"4-{[1,1'-biphenyl]-2-yloxy}butanimidamide",N=C(N)CCCOc1ccccc1-c1ccccc1,"InChI=1S/C16H18N2O/c17-16(18)11-6-12-19-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H3,17,18)",AZFZAEBJIXXMAZ-UHFFFAOYSA-N,C16H18N2O,Not Found,254.333,2.729342728,2,3,6,2,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). Biphenyl Derivative (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,1716319,No,No,,,,
DBoRL311,Dihydroquinoline-3-carboxamide Derivative ,4-hydroxy-2-oxo-N-[2-(piperidin-1-yl)ethyl]quinoline-3-carboxamide,Oc1c(C(=O)NCCN2CCCCC2)c(=O)nc2ccccc12,Unable to Compute,Unable to Compute,C17H20N3O3,Not Found,314.365,2.397484167,2,5,4,3,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). Dihydroquinoline-3-carboxamide Derivative (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,Not Found,No,No,,,,
DBoRL312,Dimethylamino methylquinolinyl pyridinyl acetamide,N-[2-(dimethylamino)-4-methylquinolin-7-yl]-2-(pyridin-4-yl)acetamide,Cc1cc(N(C)C)nc2cc(NC(=O)Cc3ccncc3)ccc12,"InChI=1S/C19H20N4O/c1-13-10-18(23(2)3)22-17-12-15(4-5-16(13)17)21-19(24)11-14-6-8-20-9-7-14/h4-10,12H,11H2,1-3H3,(H,21,24)",RSNVWCKQFGRPFM-UHFFFAOYSA-N,C19H20N4O,Not Found,320.396,3.201201009,1,4,4,3,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). Dimethylamino methylquinolinyl pyridinyl acetamide (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,85830272,No,No,,,,
DBoRL313,Dimethylamino quinolinyl pyridinyl acetamide,N-[2-(dimethylamino)quinolin-4-yl]-2-(4-hydroxyphenyl)acetamide,CN(C)c1cc(NC(=O)Cc2ccc(O)cc2)c2ccccc2n1,"InChI=1S/C19H19N3O2/c1-22(2)18-12-17(15-5-3-4-6-16(15)20-18)21-19(24)11-13-7-9-14(23)10-8-13/h3-10,12,23H,11H2,1-2H3,(H,20,21,24)",RFKHGTNRIJSTDR-UHFFFAOYSA-N,C19H19N3O2,Not Found,321.38,3.601886725,2,4,4,3,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). Dimethylamino quinolinyl pyridinyl acetamide (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,85830273,No,No,,,,
DBoRL314,Dione Derivative,"7-[(4-chlorophenyl)methyl]-3-methyl-8-{2-[(3E)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione",Cn1c2N=C(N\N=C3\C(=O)Nc4ccccc34)N(Cc3ccc(Cl)cc3)c2c(=O)[nH]c1=O,"InChI=1S/C21H16ClN7O3/c1-28-17-16(19(31)25-21(28)32)29(10-11-6-8-12(22)9-7-11)20(24-17)27-26-15-13-4-2-3-5-14(13)23-18(15)30/h2-9H,10H2,1H3,(H,24,27)(H,23,26,30)(H,25,31,32)",FZBILWJOYKIWCO-UHFFFAOYSA-N,C21H16ClN7O3,Not Found,449.86,3.336608478,3,6,4,5,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). Dione Derivative (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,Not Found,No,No,,,,
DBoRL315,Methylpyridine Derivative 1,"N1-(3-methylpyridin-2-yl)ethane-1,2-diamine",Cc1cccnc1NCCN,"InChI=1S/C8H13N3/c1-7-3-2-5-10-8(7)11-6-4-9/h2-3,5H,4,6,9H2,1H3,(H,10,11)",FOMZKRMMBHSXRG-UHFFFAOYSA-N,C8H13N3,81528-65-6,151.213,0.539246627,2,3,3,1,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). Methylpyridine Derivative 1 (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,12818865,No,No,,,,
DBoRL316,Methylpyridine Derivative 2,"N1-(4-methylpyridin-2-yl)ethane-1,2-diamine",Cc1ccnc(NCCN)c1,"InChI=1S/C8H13N3/c1-7-2-4-10-8(6-7)11-5-3-9/h2,4,6H,3,5,9H2,1H3,(H,10,11)",POLFZJFTWICAOV-UHFFFAOYSA-N,C8H13N3,526184-60-1,151.213,0.539246627,2,3,3,1,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). Methylpyridine Derivative 2 (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,10034794,No,No,,,,
DBoRL317,Methylpyridine Derivative 3,"N1-(4-methylpyridin-2-yl)propane-1,3-diamine",Cc1ccnc(NCCCN)c1,"InChI=1S/C9H15N3/c1-8-3-6-12-9(7-8)11-5-2-4-10/h3,6-7H,2,4-5,10H2,1H3,(H,11,12)",AECVAARGMKOYMI-UHFFFAOYSA-N,C9H15N3,92993-05-0,165.24,0.599206366,2,3,4,1,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). Methylpyridine Derivative 3 (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,14397357,No,No,,,,
DBoRL318,Methylpyridine Derivative 4,"N1-(5-methylpyridin-2-yl)ethane-1,2-diamine",Cc1ccc(NCCN)nc1,"InChI=1S/C8H13N3/c1-7-2-3-8(11-6-7)10-5-4-9/h2-3,6H,4-5,9H2,1H3,(H,10,11)",FSANRKUMJZHZDS-UHFFFAOYSA-N,C8H13N3,88260-11-1,151.213,0.539246627,2,3,3,1,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). Methylpyridine Derivative 4 (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,13224296,No,No,,,,
DBoRL319,Methylpyridine Derivative 5,"N1-(5-nitropyridin-2-yl)ethane-1,2-diamine",NCCNc1ccc([N+](=O)[O-])cn1,"InChI=1S/C7H10N4O2/c8-3-4-9-7-2-1-6(5-10-7)11(12)13/h1-2,5H,3-4,8H2,(H,9,10)",ODHSPTHLPCXPTL-UHFFFAOYSA-N,C7H10N4O2,29602-39-9,182.183,-0.034190573,2,5,4,1,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). Methylpyridine Derivative 5 (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,122425,No,No,,,,
DBoRL320,Methylpyridine Derivative 7,"N1-(pyridin-2-yl)ethane-1,2-diamine",NCCNc1ccccn1,"InChI=1S/C7H11N3/c8-4-6-10-7-3-1-2-5-9-7/h1-3,5H,4,6,8H2,(H,9,10)",TYHXIJJQIJKFSO-UHFFFAOYSA-N,C7H11N3,74764-17-3,137.186,0.025825238,2,3,3,1,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). Methylpyridine Derivative 7 (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,410428,No,No,,,,
DBoRL321,N-(2-morpholinoethyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide,N-[2-(morpholin-4-yl)ethyl]-1-[(naphthalen-1-yl)methyl]piperidine-4-carboxamide,O=C(NCCN1CCOCC1)C1CCN(Cc2cccc3ccccc23)CC1,"InChI=1S/C23H31N3O2/c27-23(24-10-13-25-14-16-28-17-15-25)20-8-11-26(12-9-20)18-21-6-3-5-19-4-1-2-7-22(19)21/h1-7,20H,8-18H2,(H,24,27)",ABROTOWGMITUGT-UHFFFAOYSA-N,C23H31N3O2,Not Found,381.52,2.194107507,1,4,6,4,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). N-(2-morpholinoethyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,30137413,No,No,,,,
DBoRL322,N-(4-Bromo-3-methylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide,N-(4-bromo-3-methylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide,CCN1CCN(CCC(=O)Nc2ccc(Br)c(C)c2)CC1,"InChI=1S/C16H24BrN3O/c1-3-19-8-10-20(11-9-19)7-6-16(21)18-14-4-5-15(17)13(2)12-14/h4-5,12H,3,6-11H2,1-2H3,(H,18,21)",MKUPOFKMLPHPFJ-UHFFFAOYSA-N,C16H24BrN3O,Not Found,354.292,2.825568956,1,3,5,2,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). N-(4-Bromo-3-methylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,1149597,No,No,,,,
DBoRL323,N-(Isochroman-1-ylmethyl)-3-(piperidin-1-yl)propan-1-amine dihydrochloride,"[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl][3-(piperidin-1-yl)propyl]amine dihydrochloride",Cl.Cl.c1ccc2c(c1)CCOC2CNCCCN1CCCCC1,"InChI=1/C18H28N2O.2ClH/c1-4-11-20(12-5-1)13-6-10-19-15-18-17-8-3-2-7-16(17)9-14-21-18;;/h2-3,7-8,18-19H,1,4-6,9-15H2;2*1H",BBNGWNIZVOMPDO-UHFFFAOYNA-N,C18H30Cl2N2O,Not Found,361.35,2.513245107,1,3,6,3,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). N-(Isochroman-1-ylmethyl)-3-(piperidin-1-yl)propan-1-amine dihydrochloride (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,44660345,No,No,,,,
DBoRL324,"N,4-Dimethylquinolin-2-amine","N,4-dimethylquinolin-2-amine",CNc1cc(C)c2ccccc2n1,"InChI=1S/C11H12N2/c1-8-7-11(12-2)13-10-6-4-3-5-9(8)10/h3-7H,1-2H3,(H,12,13)",QXIYZJMIWUAYDH-UHFFFAOYSA-N,C11H12N2,52430-51-0,172.231,2.711557518,1,2,1,2,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). N,4-Dimethylquinolin-2-amine (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,13042974,No,No,,,,
DBoRL325,"N,N,4-trimethylquinolin-2-amine","N,N,4-trimethylquinolin-2-amine",Cc1cc(N(C)C)nc2ccccc12,"InChI=1S/C12H14N2/c1-9-8-12(14(2)3)13-11-7-5-4-6-10(9)11/h4-8H,1-3H3",PJNZLWUCCBLOQM-UHFFFAOYSA-N,C12H14N2,20173-80-2,186.258,3.346823249,0,2,1,2,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). N,N,4-trimethylquinolin-2-amine (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,12199347,No,No,,,,
DBoRL326,"N,N-Dimethylquinolin-2-amine","N,N-dimethylquinolin-2-amine",CN(C)c1ccc2ccccc2n1,"InChI=1S/C11H12N2/c1-13(2)11-8-7-9-5-3-4-6-10(9)12-11/h3-8H,1-2H3",NEDHXUZHZBDWPK-UHFFFAOYSA-N,C11H12N2,21154-18-7,172.231,2.83340186,0,2,1,2,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). N,N-Dimethylquinolin-2-amine (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,588801,No,No,,,,
DBoRL327,"N1-(3,7-dimethoxynaphthalen-1-yl)pentane-1,4-diamine","N1-(3-methoxynaphthalen-1-yl)pentane-1,4-diamine",COc1cc(NCCCC(C)N)c2ccccc2c1,"InChI=1/C16H22N2O/c1-12(17)6-5-9-18-16-11-14(19-2)10-13-7-3-4-8-15(13)16/h3-4,7-8,10-12,18H,5-6,9,17H2,1-2H3",LKJLAQMEBXCWJN-UHFFFAOYNA-N,C16H22N2O,Not Found,258.365,2.47474306,2,3,6,2,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). N1-(3,7-dimethoxynaphthalen-1-yl)pentane-1,4-diamine (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,Not Found,No,No,,,,
DBoRL328,N1-isopropyl-N2-(2-(4-(4-methylbenzoyl)piperazin-1-yl)ethyl)oxalamide ,N'-{2-[4-(4-methylbenzoyl)piperazin-1-yl]ethyl}-N-(propan-2-yl)ethanediamide,Cc1ccc(C(=O)N2CCN(CCNC(=O)C(=O)NC(C)C)CC2)cc1,"InChI=1S/C19H28N4O3/c1-14(2)21-18(25)17(24)20-8-9-22-10-12-23(13-11-22)19(26)16-6-4-15(3)5-7-16/h4-7,14H,8-13H2,1-3H3,(H,20,24)(H,21,25)",RGGQTBPWAKFRMZ-UHFFFAOYSA-N,C19H28N4O3,443325-65-3,360.458,0.803352581,2,4,6,2,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). N1-isopropyl-N2-(2-(4-(4-methylbenzoyl)piperazin-1-yl)ethyl)oxalamide (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,1940137,No,No,,,,
DBoRL329,"N2,N2-Dimethylquinoline-2,4-diamine","N2,N2-dimethylquinoline-2,4-diamine",CN(C)c1cc(N)c2ccccc2n1,"InChI=1S/C11H13N3/c1-14(2)11-7-9(12)8-5-3-4-6-10(8)13-11/h3-7H,1-2H3,(H2,12,13)",OXLDRPPQCHUJAO-UHFFFAOYSA-N,C11H13N3,102669-54-5,187.246,2.004475906,1,3,1,2,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). N2,N2-Dimethylquinoline-2,4-diamine (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,646689,No,No,,,,
DBoRL330,N-Methylquinolin-2-amine,N-methylquinolin-2-amine,CNc1ccc2ccccc2n1,"InChI=1S/C10H10N2/c1-11-10-7-6-8-4-2-3-5-9(8)12-10/h2-7H,1H3,(H,11,12)",POVSMFKXVSNGSU-UHFFFAOYSA-N,C10H10N2,52430-43-0,158.204,2.198136129,1,2,1,2,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). N-Methylquinolin-2-amine (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,12548157,No,No,,,,
DBoRL331,Tetraene,"11-benzyl-3,5-dihydrazinyl-8-thia-4,6,11-triazatricyclo[7.4.0.0?,?]trideca-1(9),2,4,6-tetraene",NNc1nc(NN)c2c3c(sc2n1)CN(Cc1ccccc1)CC3,"InChI=1S/C16H19N7S/c17-21-14-13-11-6-7-23(8-10-4-2-1-3-5-10)9-12(11)24-15(13)20-16(19-14)22-18/h1-5H,6-9,17-18H2,(H2,19,20,21,22)",BZBLPUGGTHREEE-UHFFFAOYSA-N,C16H19N7S,330998-03-3,341.44,3.187948889,4,7,4,4,A-site (16S rRNA of E.coli),"The rRNA is responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). Tetraene (an aminoglycoside mimetics) binds to A-site (16S rRNA of E.coli), which interfere the aminoacyl tRNA binding with A site.",12683814,,,,,,"Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J Am Chem Soc. 2003 Apr 16;125(15):4444-50. doi: 10.1021/ja021354o. PMID: 12683814.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12683814/,,,,,,824893,No,No,,,,
DBoRL332,Telithromycin,"10-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-1-{4-[4-(pyridin-3-yl)-1H-imidazol-1-yl]butyl}-tetradecahydro-1H-oxacyclotetradeca[4,3-d][1,3]oxazole-2,6,8,14-tetrone",CCC1OC(=O)C(C)C(=O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)OC12C,"InChI=1/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3",LJVAJPDWBABPEJ-UHFFFAOYNA-N,C43H65N5O10,Not Found,812.018,4.824667275,1,11,11,5,50S Ribosomal Subunit,Telithromycin bound to the Deinococcus radiodurans large ribosomal subunit shows that telithromycin blocks the ribosomal exit tunnel and interacts with domains II and V of the 23S RNA. ,12837804,,,,,,"Berisio R, Harms J, Schluenzen F, Zarivach R, Hansen HA, Fucini P, Yonath A. Structural insight into the antibiotic action of telithromycin against resistant mutants. J Bacteriol. 2003 Jul;185(14):4276-9. doi: 10.1128/jb.185.14.4276-4279.2003. Erratum in: J Bacteriol. 2003 Aug;185(16):5027. PMID: 12837804; PMCID: PMC164882.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12837804/,,,,,,21881641,Yes,Yes,,DB00976,https://go.drugbank.com/drugs/DB00976,
DBoRL333,Anisomycin,4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl acetate,COc1ccc(CC2NCC(O)C2OC(C)=O)cc1,"InChI=1/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3",YKJYKKNCCRKFSL-UHFFFAOYNA-N,C14H19NO4,Not Found,265.309,0.731282238,2,4,5,2,50S Ribosomal Subunit,"Anisomycin bound to the large ribosomal subunit. The aromatic ring of anisomycin binds to the active-site hydrophobic crevice, as does the aromatic ring of puromycin. Anisomycin are protein synthesis inhibitors but the compound lacks sufficient species specificity for use in treatment of human infections, but have attracted interest in the context of cancer chemotherapy.",12860128,,,,,,"Hansen JL, Moore PB, Steitz TA. Structures of five antibiotics bound at the peptidyl transferase center of the large ribosomal subunit. J Mol Biol. 2003 Jul 25;330(5):1061-75. doi: 10.1016/s0022-2836(03)00668-5. PMID: 12860128.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12860128/,,,,,,2199,Yes,No,Experimental,DB07374,https://go.drugbank.com/drugs/DB07374,
DBoRL334,Blasticidin S,"6-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-[3-amino-5-(N-methylcarbamimidamido)pentanamido]-3,6-dihydro-2H-pyran-2-carboxylic acid",CN(CCC(N)CC(=O)NC1C=CC(n2ccc(N)nc2=O)OC1C(=O)O)C(=N)N,"InChI=1/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)",CXNPLSGKWMLZPZ-UHFFFAOYNA-N,C17H26N8O5,Not Found,422.446,-4.699743951,6,11,8,2,50S Ribosomal Subunit,"Blasticidin S bound to the large ribosomal subunit of Haloarcula marismortui. This antibiotic bind to sites that overlap those of either peptidyl-tRNA or aminoacyl-tRNA, consistent with their functioning as competitive inhibitors of peptide bond formation. Blasticidin S base-pairs with the P-loop and thereby mimics C74 and C75 of a P-site bound tRNA.",12860128,,,,,,"Hansen JL, Moore PB, Steitz TA. Structures of five antibiotics bound at the peptidyl transferase center of the large ribosomal subunit. J Mol Biol. 2003 Jul 25;330(5):1061-75. doi: 10.1016/s0022-2836(03)00668-5. PMID: 12860128.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12860128/,,,,,,258,No,No,,,,
DBoRL335,Quinolinyl DOS derivative ,"4,6-diamino-3-({[7-(trifluoromethyl)quinolin-4-yl]sulfanyl}methoxy)cyclohexane-1,2-diol",NC1CC(N)C(OCSc2ccnc3cc(C(F)(F)F)ccc23)C(O)C1O,"InChI=1/C17H20F3N3O3S/c18-17(19,20)8-1-2-9-12(5-8)23-4-3-13(9)27-7-26-16-11(22)6-10(21)14(24)15(16)25/h1-5,10-11,14-16,24-25H,6-7,21-22H2",IAWDEFIJAIUNGM-UHFFFAOYNA-N,C17H20F3N3O3S,Not Found,403.42,0.448446211,4,6,5,3,16s rRNA A SITE,"Quinolinyl DOS derivative, an aminoglycoside, binds to bacterial 16S rRNA that leads to misreading of the genetic code.",12888972,,,,,,"Ding Y, Hofstadler SA, Swayze EE, Risen L, Griffey RH. Design and synthesis of paromomycin-related heterocycle-substituted aminoglycoside mimetics based on a mass spectrometry RNA-binding assay. Angew Chem Int Ed Engl. 2003 Jul 28;42(29):3409-12. doi: 10.1002/anie.200351354. PMID: 12888972.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12888972/,,,,,,Not Found,No,No,,,,
DBoRL336,Quinolinyl DOS paromomycin derivative 1 ,"5-amino-2-(aminomethyl)-6-[(5-{[3,5-diamino-2-hydroxy-6-({[7-(trifluoromethyl)quinolin-4-yl]sulfanyl}methoxy)cyclohexyl]oxy}-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OCSc3ccnc4cc(C(F)(F)F)ccc34)C2O)C(N)C(O)C1O,"InChI=1/C28H40F3N5O10S/c29-28(30,31)10-1-2-11-14(5-10)36-4-3-17(11)47-9-42-23-13(34)6-12(33)19(38)25(23)46-27-22(41)24(16(8-37)44-27)45-26-18(35)21(40)20(39)15(7-32)43-26/h1-5,12-13,15-16,18-27,37-41H,6-9,32-35H2",MHTJKDKNPADQAG-UHFFFAOYNA-N,C28H40F3N5O10S,Not Found,695.71,-2.676653732,9,15,11,5,16s rRNA A SITE,"Quinolinyl DOS paromomycin derivative 1, an aminoglycoside, binds to bacterial 16S rRNA that leads to misreading of the genetic code.",12888972,,,,,,"Ding Y, Hofstadler SA, Swayze EE, Risen L, Griffey RH. Design and synthesis of paromomycin-related heterocycle-substituted aminoglycoside mimetics based on a mass spectrometry RNA-binding assay. Angew Chem Int Ed Engl. 2003 Jul 28;42(29):3409-12. doi: 10.1002/anie.200351354. PMID: 12888972.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12888972/,,,,,,Not Found,No,No,,,,
DBoRL337,Acyclic DOS mimic 1 biphenyl substituent,"5-amino-6-[3-amino-2-(benzyloxy)propoxy]-2-(aminomethyl)oxane-3,4-diol",NCC(COC1OC(CN)C(O)C(O)C1N)OCc1ccccc1,"InChI=1/C16H27N3O5/c17-6-11(22-8-10-4-2-1-3-5-10)9-23-16-13(19)15(21)14(20)12(7-18)24-16/h1-5,11-16,20-21H,6-9,17-19H2",PRTIOZAYPNPGDJ-UHFFFAOYNA-N,C16H27N3O5,Not Found,341.408,-1.562895437,5,8,8,2,16s rRNA A SITE,"Acyclic DOS mimic 1 biphenyl substituent, an acyclic deoxystreptamine mimetics, targets and binds to bacterial 16s rRNA A site i.e., decoding site and interfere with the decoding process of translation.",12964163,,,,,,"Vourloumis D, Winters GC, Takahashi M, Simonsen KB, Ayida BK, Shandrick S, Zhao Q, Hermann T. Novel acyclic deoxystreptamine mimetics targeting the ribosomal decoding site. Chembiochem. 2003 Sep 5;4(9):879-85. doi: 10.1002/cbic.200300688. PMID: 12964163.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12964163/,,,,,,Not Found,No,No,,,,
DBoRL338,Acyclic DOS mimic 2 naphthyl substituent,"5-amino-6-{3-amino-2-[(naphthalen-2-yl)methoxy]propoxy}-2-(aminomethyl)oxane-3,4-diol",NCC(COC1OC(CN)C(O)C(O)C1N)OCc1ccc2ccccc2c1,"InChI=1/C20H29N3O5/c21-8-15(11-27-20-17(23)19(25)18(24)16(9-22)28-20)26-10-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,15-20,24-25H,8-11,21-23H2",QOZXBAYTESKAKV-UHFFFAOYNA-N,C20H29N3O5,Not Found,391.468,-0.573418681,5,8,8,3,16s rRNA A SITE,"Acyclic DOS mimic 2 biphenyl substituent, an acyclic deoxystreptamine mimetics, targets and binds to bacterial 16s rRNA A site i.e., decoding site and interfere with the decoding process of translation.",12964163,,,,,,"Vourloumis D, Winters GC, Takahashi M, Simonsen KB, Ayida BK, Shandrick S, Zhao Q, Hermann T. Novel acyclic deoxystreptamine mimetics targeting the ribosomal decoding site. Chembiochem. 2003 Sep 5;4(9):879-85. doi: 10.1002/cbic.200300688. PMID: 12964163.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12964163/,,,,,,Not Found,No,No,,,,
DBoRL339,Acyclic DOS mimic 3 benzyl substituent,"5-amino-6-[3-amino-2-({[1,1'-biphenyl]-4-yl}methoxy)propoxy]-2-(aminomethyl)oxane-3,4-diol",NCC(COC1OC(CN)C(O)C(O)C1N)OCc1ccc(-c2ccccc2)cc1,"InChI=1/C22H31N3O5/c23-10-17(13-29-22-19(25)21(27)20(26)18(11-24)30-22)28-12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17-22,26-27H,10-13,23-25H2",KOTHJNVVGKVOOW-UHFFFAOYNA-N,C22H31N3O5,Not Found,417.506,0.084329925,5,8,9,3,16s rRNA A SITE,"Acyclic DOS mimic 3 biphenyl substituent, an acyclic deoxystreptamine mimetics, targets and binds to bacterial 16s rRNA A site i.e., decoding site and interfere with the decoding process of translation.",12964163,,,,,,"Vourloumis D, Winters GC, Takahashi M, Simonsen KB, Ayida BK, Shandrick S, Zhao Q, Hermann T. Novel acyclic deoxystreptamine mimetics targeting the ribosomal decoding site. Chembiochem. 2003 Sep 5;4(9):879-85. doi: 10.1002/cbic.200300688. PMID: 12964163.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12964163/,,,,,,Not Found,No,No,,,,
DBoRL340,Piperidine aminoglycoside 16S A site RNA mimic 1,"5-amino-2-(aminomethyl)-6-{[3-(aminomethyl)piperidin-4-yl]methoxy}oxane-3,4-diol",NCC1CNCCC1COC1OC(CN)C(O)C(O)C1N,"InChI=1/C13H28N4O4/c14-3-8-5-17-2-1-7(8)6-20-13-10(16)12(19)11(18)9(4-15)21-13/h7-13,17-19H,1-6,14-16H2",YCTOLGLFTSRNCA-UHFFFAOYNA-N,C13H28N4O4,Not Found,304.391,-3.535848229,6,8,5,2,16s rRNA A SITE,Piperidine aminoglycoside 16S A site RNA mimic 1 induces translational misreading by interact with bacterial 16S rRNA in the A site of the ribosome.,12964164,,,,,,"Simonsen KB, Ayida BK, Vourloumis D, Winters GC, Takahashi M, Shandrick S, Zhao Q, Hermann T. Piperidine glycosides targeting the ribosomal decoding site. Chembiochem. 2003 Sep 5;4(9):886-90. doi: 10.1002/cbic.200300689. PMID: 12964164.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12964164/,,,,,,Not Found,No,No,,,,
DBoRL341,Piperidine aminoglycoside 16S A site RNA mimic 2,"5-amino-2-(hydroxymethyl)-6-{[3-(hydroxymethyl)piperidin-4-yl]methoxy}oxane-3,4-diol",NC1C(OCC2CCNCC2CO)OC(CO)C(O)C1O,"InChI=1/C13H26N2O6/c14-10-12(19)11(18)9(5-17)21-13(10)20-6-7-1-2-15-3-8(7)4-16/h7-13,15-19H,1-6,14H2",HNXCHUWQZJFXRY-UHFFFAOYNA-N,C13H26N2O6,Not Found,306.359,-3.322084636,6,8,5,2,16s rRNA A SITE,Piperidine aminoglycoside 16S A site RNA mimic 2 induces translational misreading by interact with bacterial 16S rRNA in the A site of the ribosome.,12964164,,,,,,"Simonsen KB, Ayida BK, Vourloumis D, Winters GC, Takahashi M, Shandrick S, Zhao Q, Hermann T. Piperidine glycosides targeting the ribosomal decoding site. Chembiochem. 2003 Sep 5;4(9):886-90. doi: 10.1002/cbic.200300689. PMID: 12964164.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12964164/,,,,,,Not Found,No,No,,,,
DBoRL342,Piperidine aminoglycoside 16S A site RNA mimic 3,"5-amino-6-{[3-(aminomethyl)piperidin-4-yl]methoxy}-2-(hydroxymethyl)oxane-3,4-diol",NCC1CNCCC1COC1OC(CO)C(O)C(O)C1N,"InChI=1/C13H27N3O5/c14-3-8-4-16-2-1-7(8)6-20-13-10(15)12(19)11(18)9(5-17)21-13/h7-13,16-19H,1-6,14-15H2",CLGQPOVQEGDJBD-UHFFFAOYNA-N,C13H27N3O5,Not Found,305.375,-3.428966433,6,8,5,2,16s rRNA A SITE,Piperidine aminoglycoside 16S A site RNA mimic 3 induces translational misreading by interact with bacterial 16S rRNA in the A site of the ribosome.,12964164,,,,,,"Simonsen KB, Ayida BK, Vourloumis D, Winters GC, Takahashi M, Shandrick S, Zhao Q, Hermann T. Piperidine glycosides targeting the ribosomal decoding site. Chembiochem. 2003 Sep 5;4(9):886-90. doi: 10.1002/cbic.200300689. PMID: 12964164.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12964164/,,,,,,Not Found,No,No,,,,
DBoRL343,Piperidine aminoglycoside 16S A site RNA mimic 4,"5-amino-6-{[3-(aminomethyl)-2-hydroxypiperidin-4-yl]methoxy}-2-(hydroxymethyl)oxane-3,4-diol",NCC1C(COC2OC(CO)C(O)C(O)C2N)CCNC1O,"InChI=1/C13H27N3O6/c14-3-7-6(1-2-16-12(7)20)5-21-13-9(15)11(19)10(18)8(4-17)22-13/h6-13,16-20H,1-5,14-15H2",DLVLDPGYAPZZSG-UHFFFAOYNA-N,C13H27N3O6,Not Found,321.374,-3.688018683,7,9,5,2,16s rRNA A SITE,Piperidine aminoglycoside 16S A site RNA mimic 4 induces translational misreading by interact with bacterial 16S rRNA in the A site of the ribosome.,12964164,,,,,,"Simonsen KB, Ayida BK, Vourloumis D, Winters GC, Takahashi M, Shandrick S, Zhao Q, Hermann T. Piperidine glycosides targeting the ribosomal decoding site. Chembiochem. 2003 Sep 5;4(9):886-90. doi: 10.1002/cbic.200300689. PMID: 12964164.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12964164/,,,,,,Not Found,No,No,,,,
DBoRL344,Piperidine aminoglycoside 16S A site RNA mimic 5,"5-amino-2-(aminomethyl)-6-{[3-(aminomethyl)-5-(hydroxymethyl)piperidin-4-yl]oxy}oxane-3,4-diol",NCC1CNCC(CO)C1OC1OC(CN)C(O)C(O)C1N,"InChI=1/C13H28N4O5/c14-1-6-3-17-4-7(5-18)12(6)22-13-9(16)11(20)10(19)8(2-15)21-13/h6-13,17-20H,1-5,14-16H2",TUDOMOKVWOVYAH-UHFFFAOYNA-N,C13H28N4O5,Not Found,320.39,-4.358851727,7,9,5,2,16s rRNA A SITE,Piperidine aminoglycoside 16S A site RNA mimic 5 induces translational misreading by interact with bacterial 16S rRNA in the A site of the ribosome.,12964164,,,,,,"Simonsen KB, Ayida BK, Vourloumis D, Winters GC, Takahashi M, Shandrick S, Zhao Q, Hermann T. Piperidine glycosides targeting the ribosomal decoding site. Chembiochem. 2003 Sep 5;4(9):886-90. doi: 10.1002/cbic.200300689. PMID: 12964164.",,,,,,https://pubmed.ncbi.nlm.nih.gov/12964164/,,,,,,Not Found,No,No,,,,
DBoRL345,Kanamycin A-acridine conjugate,"2-({3-[(6-{[(acridin-9-yl)amino]methyl}-4-amino-3,5-dihydroxyoxan-2-yl)oxy]-4,6-diamino-2-hydroxycyclohexyl}oxy)-6-(aminomethyl)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CNc4c5ccccc5nc5ccccc45)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C31H44N6O10/c32-10-18-23(39)25(41)26(42)31(44-18)47-29-15(34)9-14(33)28(27(29)43)46-30-24(40)20(35)22(38)19(45-30)11-36-21-12-5-1-3-7-16(12)37-17-8-4-2-6-13(17)21/h1-8,14-15,18-20,22-31,38-43H,9-11,32-35H2,(H,36,37)",WHIJZFBVYXIWAU-UHFFFAOYNA-N,C31H44N6O10,Not Found,660.725,-3.563330699,11,16,8,6,RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Kanamycin A-acridine conjugate has the ability to specifically binds to RRE RNA and blocks Rev-RRE interaction, results the virus become unable to replicate.",14516190,,,,,,"Luedtke NW, Liu Q, Tor Y. RNA-ligand interactions: affinity and specificity of aminoglycoside dimers and acridine conjugates to the HIV-1 Rev response element. Biochemistry. 2003 Oct 7;42(39):11391-403. doi: 10.1021/bi034766y. PMID: 14516190.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14516190/,,,,,,Not Found,No,No,,,,
DBoRL346,Neomycin-acridine conjugated aminoglycoside1 ,"6-({2-[({2-[(acridin-9-yl)amino]ethyl}sulfanyl)methyl]-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl}oxy)-5-amino-2-(aminomethyl)oxane-3,4-diol",NCC1OC(OC2C(CSCCNc3c4ccccc4nc4ccccc34)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C38H58N8O12S/c39-12-21-28(48)30(50)24(43)36(53-21)56-33-18(42)11-17(41)27(47)35(33)58-38-32(52)34(57-37-25(44)31(51)29(49)22(13-40)54-37)23(55-38)14-59-10-9-45-26-15-5-1-3-7-19(15)46-20-8-4-2-6-16(20)26/h1-8,17-18,21-25,27-38,47-52H,9-14,39-44H2,(H,45,46)",IKIPSKJKPMQZMY-UHFFFAOYNA-N,C38H58N8O12S,Not Found,850.99,-4.384911287,13,20,14,7,RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Neomycin-acridine conjugated aminoglycoside1, an aminoglycoside dimer, has the ability to specifically binds to RRE RNA and blocks Rev-RRE interaction, results the virus become unable to replicate.",14516190,,,,,,"Luedtke NW, Liu Q, Tor Y. RNA-ligand interactions: affinity and specificity of aminoglycoside dimers and acridine conjugates to the HIV-1 Rev response element. Biochemistry. 2003 Oct 7;42(39):11391-403. doi: 10.1021/bi034766y. PMID: 14516190.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14516190/,,,,,,44371737,No,No,,,,
DBoRL347,Neomycin-acridine conjugated aminoglycoside2,"6-[(2-{[(acridin-9-yl)amino]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]-5-amino-2-(aminomethyl)oxane-3,4-diol",NCC1OC(OC2C(CNc3c4ccccc4nc4ccccc34)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C36H54N8O12/c37-10-19-26(46)28(48)22(41)34(51-19)54-31-16(40)9-15(39)25(45)33(31)56-36-30(50)32(55-35-23(42)29(49)27(47)20(11-38)52-35)21(53-36)12-43-24-13-5-1-3-7-17(13)44-18-8-4-2-6-14(18)24/h1-8,15-16,19-23,25-36,45-50H,9-12,37-42H2,(H,43,44)",ZDQJBRCTSQXQNB-UHFFFAOYNA-N,C36H54N8O12,Not Found,790.872,-4.917594996,13,20,11,7,RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Neomycin-acridine conjugated aminoglycoside2, an aminoglycoside dimer, has the ability to specifically binds to RRE RNA and blocks Rev-RRE interaction, results the virus become unable to replicate.",14516190,,,,,,"Luedtke NW, Liu Q, Tor Y. RNA-ligand interactions: affinity and specificity of aminoglycoside dimers and acridine conjugates to the HIV-1 Rev response element. Biochemistry. 2003 Oct 7;42(39):11391-403. doi: 10.1021/bi034766y. PMID: 14516190.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14516190/,,,,,,Not Found,No,No,,,,
DBoRL348,Neomycin-acridine conjugated aminoglycoside3,"6-{[2-({[2-({2-[(acridin-9-yl)amino]ethyl}sulfanyl)ethyl]sulfanyl}methyl)-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl]oxy}-5-amino-2-(aminomethyl)oxane-3,4-diol",NCC1OC(OC2C(CSCCSCCNc3c4ccccc4nc4ccccc34)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C40H62N8O12S2/c41-14-23-30(50)32(52)26(45)38(55-23)58-35-20(44)13-19(43)29(49)37(35)60-40-34(54)36(59-39-27(46)33(53)31(51)24(15-42)56-39)25(57-40)16-62-12-11-61-10-9-47-28-17-5-1-3-7-21(17)48-22-8-4-2-6-18(22)28/h1-8,19-20,23-27,29-40,49-54H,9-16,41-46H2,(H,47,48)",CYADHRNWZCOCHV-UHFFFAOYNA-N,C40H62N8O12S2,Not Found,911.1,-3.852227577,13,20,17,7,RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Neomycin-acridine conjugated aminoglycoside3, an aminoglycoside dimer, has the ability to specifically binds to RRE RNA and blocks Rev-RRE interaction, results the virus become unable to replicate.",14516190,,,,,,"Luedtke NW, Liu Q, Tor Y. RNA-ligand interactions: affinity and specificity of aminoglycoside dimers and acridine conjugates to the HIV-1 Rev response element. Biochemistry. 2003 Oct 7;42(39):11391-403. doi: 10.1021/bi034766y. PMID: 14516190.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14516190/,,,,,,Not Found,No,No,,,,
DBoRL349,Tobramycin-acridine conjugate,"2-{[(acridin-9-yl)amino]methyl}-4-amino-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CNc4c5ccccc5nc5ccccc45)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C31H45N7O8/c32-11-21-20(39)10-17(35)30(43-21)45-28-15(33)9-16(34)29(27(28)42)46-31-26(41)23(36)25(40)22(44-31)12-37-24-13-5-1-3-7-18(13)38-19-8-4-2-6-14(19)24/h1-8,15-17,20-23,25-31,39-42H,9-12,32-36H2,(H,37,38)",OPNLTJHYSKDPFV-UHFFFAOYNA-N,C31H45N7O8,Not Found,643.742,-2.979917815,10,15,8,6,RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Tobramycin-acridine conjugate has the ability to specifically binds to RRE RNA and blocks Rev-RRE interaction, results the virus become unable to replicate.",14516190,,,,,,"Luedtke NW, Liu Q, Tor Y. RNA-ligand interactions: affinity and specificity of aminoglycoside dimers and acridine conjugates to the HIV-1 Rev response element. Biochemistry. 2003 Oct 7;42(39):11391-403. doi: 10.1021/bi034766y. PMID: 14516190.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14516190/,,,,,,Not Found,No,No,,,,
DBoRL350,AEC (S-(2-aminoethyl)-L-cysteine,2-[(2-azaniumylethyl)sulfanyl]-1-carboxyethan-1-aminium,[NH3+]CCSCC([NH3+])C(=O)O,"InChI=1/C5H12N2O2S/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/p+2",GHSJKUNUIHUPDF-UHFFFAOYNA-P,C5H14N2O2S,Not Found,166.24,-3.805807049,3,2,5,0,B. subtilis L-lysine aptamer 179 lysC RNAs,B. subtilis L-lysine aptamer 179 lysC RNA binds with AEC (S-(2-aminoethyl)-L-cysteine and controls gene expression.,14597663,,,,,,"Sudarsan N, Wickiser JK, Nakamura S, Ebert MS, Breaker RR. An mRNA structure in bacteria that controls gene expression by binding lysine. Genes Dev. 2003 Nov 1;17(21):2688-97. doi: 10.1101/gad.1140003. PMID: 14597663; PMCID: PMC280618.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14597663/,,,,,,Not Found,No,No,,,,
DBoRL351,L-Lysine Hydroxymate,5-amino-1-(hydroxycarbamoyl)pentan-1-aminium,NCCCCC([NH3+])C(=O)NO,"InChI=1/C6H15N3O2/c7-4-2-1-3-5(8)6(10)9-11/h5,11H,1-4,7-8H2,(H,9,10)/p+1",NZWPVDFOIUKVSJ-UHFFFAOYNA-O,C6H16N3O2,Not Found,162.212,-2.631368834,4,3,5,0,B. subtilis L-lysine aptamer 179 lysC RNAs,B. subtilis L-lysine aptamer 179 lysC RNA binds with L-Lysine Hydroxymate and controls gene expression.,14597663,,,,,,"Sudarsan N, Wickiser JK, Nakamura S, Ebert MS, Breaker RR. An mRNA structure in bacteria that controls gene expression by binding lysine. Genes Dev. 2003 Nov 1;17(21):2688-97. doi: 10.1101/gad.1140003. PMID: 14597663; PMCID: PMC280618.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14597663/,,,,,,Not Found,No,No,,,,
DBoRL352,Malachite green,"4-{[4-(dimethylamino)phenyl](phenyl)methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride",CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1.[Cl-],"InChI=1S/C23H25N2.ClH/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;/h5-17H,1-4H3;1H/q+1;/p-1",FDZZZRQASAIRJF-UHFFFAOYSA-M,C23H25ClN2,"569-64-2,14426-28-9,2437-29-8,13425-25-7",364.92,1.28746727,0,1,3,3,RNA Binding Aptamer,Electrostatic interactions between RNA and ligand can induce significant changes in the ligand structure due to the polyanionic nature of the RNA. Aptamers are ideal model systems to study these kinds of interactions owing to their small size and the ease with which they can be evolved to recognize a large variety of different ligands. RNA aptamer binds triphenyl dyes in complex with malachite green and form malachite green-RNA aptamer complex. The complex help to recognize planar and nonplanar ligands (if the ligand present in malachite green-RNA aptamer complex).,14695514,,,,,,"Flinders J, DeFina SC, Brackett DM, Baugh C, Wilson C, Dieckmann T. Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex. Chembiochem. 2004 Jan 3;5(1):62-72. doi: 10.1002/cbic.200300701. PMID: 14695514.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14695514/,,,,,,11294,Yes,No,Experimental,DB03895,https://go.drugbank.com/drugs/DB03895,This is the isomeric form of the drug approved by USFDA.
DBoRL353,"N,N'-Tetramethyl-rosamine","6-(dimethylamino)-N,N-dimethyl-9-phenyl-3H-xanthen-3-iminium",CN(C)c1ccc2c(-c3ccccc3)c3ccc(=[N+](C)C)cc-3oc2c1,"InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1",NGSXFKKYKWBNPO-UHFFFAOYSA-N,C23H23N2O,Not Found,343.449,0.486893727,0,2,2,4,MG mutant RNA aptamer A9G,"MG mutant RNA aptamer A9G complexed with N,N'-Tetramethyl-rosamine, this structure is help in the studies of RNA binding pocket and both planar and nonplanar ligands interactions.",14695514,,,,,,"Flinders J, DeFina SC, Brackett DM, Baugh C, Wilson C, Dieckmann T. Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex. Chembiochem. 2004 Jan 3;5(1):62-72. doi: 10.1002/cbic.200300701. PMID: 14695514.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14695514/,,,,,,2762681,No,No,,,,
DBoRL354,Doxycycline,"4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide",CC1c2cccc(O)c2C(O)=C2C(=O)C3(O)C(O)=C(C(N)=O)C(=O)C(N(C)C)C3C(O)C21,"InChI=1/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31)",SGKRLCUYIXIAHR-UHFFFAOYNA-N,C22H24N2O8,Not Found,444.44,-3.660183137,6,9,2,4,Small Subunit,"Doxycycline is a bacteriostatic molecule, which reversibly interact with ribosome & hence the translation process halted for some time & the bacteria become static.  ",14723559,,,,,,"Zhanel GG, Homenuik K, Nichol K, Noreddin A, Vercaigne L, Embil J, Gin A, Karlowsky JA, Hoban DJ. The glycylcyclines: a comparative review with the tetracyclines. Drugs. 2004;64(1):63-88. doi: 10.2165/00003495-200464010-00005. PMID: 14723559.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14723559/,,,,,,54681536,Yes,Yes,Investigational Vet_approved,DB00254,https://go.drugbank.com/drugs/DB00254,This is the isomeric form of the drug approved by USFDA.
DBoRL355,Azepane aminoglycoside mimic 1,"5-amino-6-{[5-amino-2-(hydroxymethyl)azepan-4-yl]oxy}-2-(aminomethyl)oxane-3,4-diol",NCC1OC(OC2CC(CO)NCCC2N)C(N)C(O)C1O,"InChI=1/C13H28N4O5/c14-4-9-11(19)12(20)10(16)13(22-9)21-8-3-6(5-18)17-2-1-7(8)15/h6-13,17-20H,1-5,14-16H2",YMCJMMJMVULZTO-UHFFFAOYNA-N,C13H28N4O5,Not Found,320.39,-4.226969799,7,9,4,2,16s rRNA A SITE,"Azepane aminoglycoside mimic 1, an antibiotic, targets and binds the bacterial 16s rRNA A site and inhibit the translation process.",14741274,,,,,,"Barluenga S, Simonsen KB, Littlefield ES, Ayida BK, Vourloumis D, Winters GC, Takahashi M, Shandrick S, Zhao Q, Han Q, Hermann T. Rational design of azepane-glycoside antibiotics targeting the bacterial ribosome. Bioorg Med Chem Lett. 2004 Feb 9;14(3):713-8. doi: 10.1016/j.bmcl.2003.11.028. PMID: 14741274.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14741274/,,,,,,Not Found,No,No,,,,
DBoRL356,Bis-guanidinylated ligand 1,N-[2-(2-{[(4-carbamimidamidobutyl)amino]methyl}-4-methoxyphenoxy)ethyl]guanidine,COc1ccc(OCCNC(=N)N)c(CNCCCCNC(=N)N)c1,"InChI=1S/C16H29N7O2/c1-24-13-4-5-14(25-9-8-23-16(19)20)12(10-13)11-21-6-2-3-7-22-15(17)18/h4-5,10,21H,2-3,6-9,11H2,1H3,(H4,17,18,22)(H4,19,20,23)",ZCQAXURCNFAREC-UHFFFAOYSA-N,C16H29N7O2,Not Found,351.455,-0.467934594,7,9,12,1,HIV-1 TAR RNA,"HIV-1 TAR RNA functions critically in viral replication by binding the transactivating regulatory protein Tat. Bis-guanidinylated ligand 1 binds with HIV-1 TAR RNA and inhibits the Tat-TAR interaction, as a result interference occurs with viral replication.",14757049,,,,,,"Davis B, Afshar M, Varani G, Murchie AI, Karn J, Lentzen G, Drysdale M, Bower J, Potter AJ, Starkey ID, Swarbrick T, Aboul-ela F. Rational design of inhibitors of HIV-1 TAR RNA through the stabilisation of electrostatic ""hot spots"". J Mol Biol. 2004 Feb 13;336(2):343-56. doi: 10.1016/j.jmb.2003.12.046. PMID: 14757049.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14757049/,,,,,,448945,No,No,,,,
DBoRL357,Bis-guanidinylated ligand 2,N-[2-(2-{[(5-carbamimidamidopentyl)amino]methyl}-4-methoxyphenoxy)ethyl]guanidine,COc1ccc(OCCNC(=N)N)c(CNCCCCCNC(=N)N)c1,"InChI=1S/C17H31N7O2/c1-25-14-5-6-15(26-10-9-24-17(20)21)13(11-14)12-22-7-3-2-4-8-23-16(18)19/h5-6,11,22H,2-4,7-10,12H2,1H3,(H4,18,19,23)(H4,20,21,24)",XCRGSIKUIJEHRK-UHFFFAOYSA-N,C17H31N7O2,Not Found,365.482,-0.023365929,7,9,13,1,HIV-1 TAR RNA,"HIV-1 TAR RNA functions critically in viral replication by binding the transactivating regulatory protein Tat. Bis-guanidinylated ligand 2 binds with HIV-1 TAR RNA and inhibits the Tat-TAR interaction, as a result interference occurs with viral replication.",14757049,,,,,,"Davis B, Afshar M, Varani G, Murchie AI, Karn J, Lentzen G, Drysdale M, Bower J, Potter AJ, Starkey ID, Swarbrick T, Aboul-ela F. Rational design of inhibitors of HIV-1 TAR RNA through the stabilisation of electrostatic ""hot spots"". J Mol Biol. 2004 Feb 13;336(2):343-56. doi: 10.1016/j.jmb.2003.12.046. PMID: 14757049.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14757049/,,,,,,Not Found,No,No,,,,
DBoRL358,Bis-guanidinylated ligand 3,N-[3-(2-{[(4-carbamimidamidobutyl)amino]methyl}-4-methoxyphenoxy)propyl]guanidine,COc1ccc(OCCCNC(=N)N)c(CNCCCCNC(=N)N)c1,"InChI=1S/C17H31N7O2/c1-25-14-5-6-15(26-10-4-9-24-17(20)21)13(11-14)12-22-7-2-3-8-23-16(18)19/h5-6,11,22H,2-4,7-10,12H2,1H3,(H4,18,19,23)(H4,20,21,24)",SCUXQJDHYASWJG-UHFFFAOYSA-N,C17H31N7O2,Not Found,365.482,-0.407974855,7,9,13,1,HIV-1 TAR RNA,"HIV-1 TAR RNA functions critically in viral replication by binding the transactivating regulatory protein Tat. Bis-guanidinylated ligand 3 binds with HIV-1 TAR RNA and inhibits the Tat-TAR interaction, as a result interference occurs with viral replication.",14757049,,,,,,"Davis B, Afshar M, Varani G, Murchie AI, Karn J, Lentzen G, Drysdale M, Bower J, Potter AJ, Starkey ID, Swarbrick T, Aboul-ela F. Rational design of inhibitors of HIV-1 TAR RNA through the stabilisation of electrostatic ""hot spots"". J Mol Biol. 2004 Feb 13;336(2):343-56. doi: 10.1016/j.jmb.2003.12.046. PMID: 14757049.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14757049/,,,,,,516505,No,No,,,,
DBoRL359,Bis-guanidinylated ligand 4,N-[3-(2-{[(3-carbamimidamidopropyl)amino]methyl}-4-methoxyphenoxy)propyl]guanidine,COc1ccc(OCCCNC(=N)N)c(CNCCCNC(=N)N)c1,"InChI=1S/C16H29N7O2/c1-24-13-4-5-14(25-9-3-8-23-16(19)20)12(10-13)11-21-6-2-7-22-15(17)18/h4-5,10,21H,2-3,6-9,11H2,1H3,(H4,17,18,22)(H4,19,20,23)",RRDWRXITKTXEHD-UHFFFAOYSA-N,C16H29N7O2,Not Found,351.455,-0.925337526,7,9,12,1,HIV-1 TAR RNA,"HIV-1 TAR RNA functions critically in viral replication by binding the transactivating regulatory protein Tat. Bis-guanidinylated ligand 4 binds with HIV-1 TAR RNA and inhibits the Tat-TAR interaction, as a result interference occurs with viral replication.",14757049,,,,,,"Davis B, Afshar M, Varani G, Murchie AI, Karn J, Lentzen G, Drysdale M, Bower J, Potter AJ, Starkey ID, Swarbrick T, Aboul-ela F. Rational design of inhibitors of HIV-1 TAR RNA through the stabilisation of electrostatic ""hot spots"". J Mol Biol. 2004 Feb 13;336(2):343-56. doi: 10.1016/j.jmb.2003.12.046. PMID: 14757049.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14757049/,,,,,,142104300,No,No,,,,
DBoRL360,Bis-guanidinylated ligand 5,N-[4-({[2-(3-aminopropoxy)-5-methoxyphenyl]methyl}amino)butyl]guanidine,COc1ccc(OCCCN)c(CNCCCCNC(=N)N)c1,"InChI=1S/C16H29N5O2/c1-22-14-5-6-15(23-10-4-7-17)13(11-14)12-20-8-2-3-9-21-16(18)19/h5-6,11,20H,2-4,7-10,12,17H2,1H3,(H4,18,19,21)",ZYLZCYGTSSUDTC-UHFFFAOYSA-N,C16H29N5O2,Not Found,323.441,-0.074204105,5,7,12,1,HIV-1 TAR RNA,"HIV-1 TAR RNA functions critically in viral replication by binding the transactivating regulatory protein Tat. Bis-guanidinylated ligand 5 binds with HIV-1 TAR RNA and inhibits the Tat-TAR interaction, as a result interference occurs with viral replication.",14757049,,,,,,"Davis B, Afshar M, Varani G, Murchie AI, Karn J, Lentzen G, Drysdale M, Bower J, Potter AJ, Starkey ID, Swarbrick T, Aboul-ela F. Rational design of inhibitors of HIV-1 TAR RNA through the stabilisation of electrostatic ""hot spots"". J Mol Biol. 2004 Feb 13;336(2):343-56. doi: 10.1016/j.jmb.2003.12.046. PMID: 14757049.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14757049/,,,,,,516506,No,No,,,,
DBoRL361,Bis-guanidinylated ligand 6,N-[3-(2-{[(2-carbamimidamidoethyl)amino]methyl}-4-methoxyphenoxy)propyl]guanidine,COc1ccc(OCCCNC(=N)N)c(CNCCNC(=N)N)c1,"InChI=1S/C15H27N7O2/c1-23-12-3-4-13(24-8-2-5-21-14(16)17)11(9-12)10-20-6-7-22-15(18)19/h3-4,9,20H,2,5-8,10H2,1H3,(H4,16,17,21)(H4,18,19,22)",JOHHYIZPIDCIOP-UHFFFAOYSA-N,C15H27N7O2,Not Found,337.428,-0.985297265,7,9,11,1,HIV-1 TAR RNA,"HIV-1 TAR RNA functions critically in viral replication by binding the transactivating regulatory protein Tat. Bis-guanidinylated ligand 6 binds with HIV-1 TAR RNA and inhibits the Tat-TAR interaction, as a result interference occurs with viral replication.",14757049,,,,,,"Davis B, Afshar M, Varani G, Murchie AI, Karn J, Lentzen G, Drysdale M, Bower J, Potter AJ, Starkey ID, Swarbrick T, Aboul-ela F. Rational design of inhibitors of HIV-1 TAR RNA through the stabilisation of electrostatic ""hot spots"". J Mol Biol. 2004 Feb 13;336(2):343-56. doi: 10.1016/j.jmb.2003.12.046. PMID: 14757049.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14757049/,,,,,,Not Found,No,No,,,,
DBoRL362,Rbt417 ,N-{2-[4-(1-benzothiophen-2-yl)-2-{[(4-carbamimidamidobutyl)amino]methyl}phenoxy]ethyl}guanidine,N=C(N)NCCCCNCc1cc(-c2cc3ccccc3s2)ccc1OCCNC(=N)N,"InChI=1S/C23H31N7OS/c24-22(25)29-10-4-3-9-28-15-18-13-17(7-8-19(18)31-12-11-30-23(26)27)21-14-16-5-1-2-6-20(16)32-21/h1-2,5-8,13-14,28H,3-4,9-12,15H2,(H4,24,25,29)(H4,26,27,30)",YHZYDVGUAUALAR-UHFFFAOYSA-N,C23H31N7OS,Not Found,453.61,2.209692916,7,8,12,3,HIV-1 TAR RNA,The compound bind with TAR RNA and for this the virus become unable to replicate.,14757049,,,,,,"Davis B, Afshar M, Varani G, Murchie AI, Karn J, Lentzen G, Drysdale M, Bower J, Potter AJ, Starkey ID, Swarbrick T, Aboul-ela F. Rational design of inhibitors of HIV-1 TAR RNA through the stabilisation of electrostatic ""hot spots"". J Mol Biol. 2004 Feb 13;336(2):343-56. doi: 10.1016/j.jmb.2003.12.046. PMID: 14757049",,,,,,https://pubmed.ncbi.nlm.nih.gov/14757049/,,,,,,516511,No,No,,,,
DBoRL363,Rbt418,N-{2-[4-(1-benzofuran-2-yl)-2-{[(4-carbamimidamidobutyl)amino]methyl}phenoxy]ethyl}guanidine,N=C(N)NCCCCNCc1cc(-c2cc3ccccc3o2)ccc1OCCNC(=N)N,"InChI=1S/C23H31N7O2/c24-22(25)29-10-4-3-9-28-15-18-13-17(7-8-19(18)31-12-11-30-23(26)27)21-14-16-5-1-2-6-20(16)32-21/h1-2,5-8,13-14,28H,3-4,9-12,15H2,(H4,24,25,29)(H4,26,27,30)",HJGLAFIEZXBUES-UHFFFAOYSA-N,C23H31N7O2,Not Found,437.548,1.416086558,7,8,12,3,HIV-1 TAR RNA,The compound bind with TAR RNA and for this the virus become unable to replicate.,14757049,,,,,,"Davis B, Afshar M, Varani G, Murchie AI, Karn J, Lentzen G, Drysdale M, Bower J, Potter AJ, Starkey ID, Swarbrick T, Aboul-ela F. Rational design of inhibitors of HIV-1 TAR RNA through the stabilisation of electrostatic ""hot spots"". J Mol Biol. 2004 Feb 13;336(2):343-56. doi: 10.1016/j.jmb.2003.12.046. PMID: 14757049",,,,,,https://pubmed.ncbi.nlm.nih.gov/14757049/,,,,,,516510,No,No,,,,
DBoRL364,Rbt428 ,N-[4-({[2-(3-aminopropoxy)-5-(1-benzothiophen-2-yl)phenyl]methyl}amino)butyl]guanidine,N=C(N)NCCCCNCc1cc(-c2cc3ccccc3s2)ccc1OCCCN,"InChI=1S/C23H31N5OS/c24-10-5-13-29-20-9-8-18(22-15-17-6-1-2-7-21(17)30-22)14-19(20)16-27-11-3-4-12-28-23(25)26/h1-2,6-9,14-15,27H,3-5,10-13,16,24H2,(H4,25,26,28)",FFYATMCKOFXNPE-UHFFFAOYSA-N,C23H31N5OS,Not Found,425.6,2.603423406,5,6,12,3,HIV-1 TAR RNA,The compound bind with TAR RNA and for this the virus become unable to replicate.,14757049,,,,,,"Davis B, Afshar M, Varani G, Murchie AI, Karn J, Lentzen G, Drysdale M, Bower J, Potter AJ, Starkey ID, Swarbrick T, Aboul-ela F. Rational design of inhibitors of HIV-1 TAR RNA through the stabilisation of electrostatic ""hot spots"". J Mol Biol. 2004 Feb 13;336(2):343-56. doi: 10.1016/j.jmb.2003.12.046. PMID: 14757049",,,,,,https://pubmed.ncbi.nlm.nih.gov/14757049/,,,,,,516512,No,No,,,,
DBoRL365,Rbt550,3-[4-(1H-indol-5-yl)-2-({[2-(piperazin-1-yl)ethyl]amino}methyl)phenoxy]propan-1-amine,NCCCOc1ccc(-c2ccc3[nH]ccc3c2)cc1CNCCN1CCNCC1,"InChI=1S/C24H33N5O/c25-7-1-15-30-24-5-3-20(19-2-4-23-21(16-19)6-8-28-23)17-22(24)18-27-11-14-29-12-9-26-10-13-29/h2-6,8,16-17,26-28H,1,7,9-15,18,25H2",WVRJFVULANTNJW-UHFFFAOYSA-N,C24H33N5O,Not Found,407.562,1.865602829,4,5,10,4,HIV-1 TAR RNA,The compound bind with TAR RNA and for this the virus become unable to replicate.,14757049,,,,,,"Davis B, Afshar M, Varani G, Murchie AI, Karn J, Lentzen G, Drysdale M, Bower J, Potter AJ, Starkey ID, Swarbrick T, Aboul-ela F. Rational design of inhibitors of HIV-1 TAR RNA through the stabilisation of electrostatic ""hot spots"". J Mol Biol. 2004 Feb 13;336(2):343-56. doi: 10.1016/j.jmb.2003.12.046. PMID: 14757049",,,,,,https://pubmed.ncbi.nlm.nih.gov/14757049/,,,,,,448939,No,No,,,,
DBoRL366,Rbt203,N''-(2-{2-[({4-[(diaminomethylidene)amino]butyl}amino)methyl]-4-hydroxyphenoxy}ethyl)guanidine,NC(N)=NCCCCNCc1cc(O)ccc1OCCN=C(N)N,"InChI=1S/C15H27N7O2/c16-14(17)21-6-2-1-5-20-10-11-9-12(23)3-4-13(11)24-8-7-22-15(18)19/h3-4,9,20,23H,1-2,5-8,10H2,(H4,16,17,21)(H4,18,19,22)",MLWQXVCDNYDMME-UHFFFAOYSA-N,C15H27N7O2,Not Found,337.428,-1.512634721,6,9,11,1,HIV-1 TAR RNA,The compound binds with TAR RNA and for this the virus become unable to replicate.,14757049,,,,,,"Davis B, Afshar M, Varani G, Murchie AI, Karn J, Lentzen G, Drysdale M, Bower J, Potter AJ, Starkey ID, Swarbrick T, Aboul-ela F. Rational design of inhibitors of HIV-1 TAR RNA through the stabilisation of electrostatic ""hot spots"". J Mol Biol. 2004 Feb 13;336(2):343-56. doi: 10.1016/j.jmb.2003.12.046. PMID: 14757049",,,,,,https://pubmed.ncbi.nlm.nih.gov/14757049/,,,,,,101332236,No,No,,,,
DBoRL367,Quinoline-3-carboxamide,quinoline-3-carboxamide,NC(=O)c1cnc2ccccc2c1,"InChI=1S/C10H8N2O/c11-10(13)8-5-7-3-1-2-4-9(7)12-6-8/h1-6H,(H2,11,13)",BLTDCIWCFCUQCB-UHFFFAOYSA-N,C10H8N2O,6480-67-7,172.187,0.981540766,1,2,1,2,A-site,Quinoline-3-carboxamide targets and binds with bacterial ribosomal RNA A-site which interfere the aminoacyl tRNA binding with A site.,14980606,,,,,,"Foloppe N, Chen IJ, Davis B, Hold A, Morley D, Howes R. A structure-based strategy to identify new molecular scaffolds targeting the bacterial ribosomal A-site. Bioorg Med Chem. 2004 Mar 1;12(5):935-47. doi: 10.1016/j.bmc.2003.12.023. PMID: 14980606.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14980606/,,,,,,15561101,No,No,,,,
DBoRL368,Thiethylperazine,2-(ethylsulfanyl)-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine,CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2,"InChI=1S/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3",XCTYLCDETUVOIP-UHFFFAOYSA-N,C22H29N3S2,"1420-55-9,1179-69-7",399.62,4.659322274,0,3,6,4,HIV-1 TAR ,Thiethylperazine is an RNA Binding Scaffold. Thiethylperazine is a promising ligand for HIV-1 TAR RNA and A-site ribosomal RNA.,15053636,,,,,,"Mayer M, James TL. NMR-based characterization of phenothiazines as a RNA binding scaffold. J Am Chem Soc. 2004 Apr 7;126(13):4453-60. doi: 10.1021/ja0398870. PMID: 15053636.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15053636/,,,,,,5440,Yes,Yes,Withdrawn,DB00372,https://go.drugbank.com/drugs/DB00372,
DBoRL369,Trifluoperazine,10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazine,CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,"InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3",ZEWQUBUPAILYHI-UHFFFAOYSA-N,C21H24F3N3S,117-89-5,407.5,4.655923627,0,3,5,4,HIV-1 TAR,Trifluoperazine is an RNA Binding Scaffold. Thiethylperazine is a promising ligand for HIV-1 TAR RNA and A-site ribosomal RNA.,15053636,,,,,,"Mayer M, James TL. NMR-based characterization of phenothiazines as a RNA binding scaffold. J Am Chem Soc. 2004 Apr 7;126(13):4453-60. doi: 10.1021/ja0398870. PMID: 15053636.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15053636/,,,,,,5566,Yes,Yes,Investigational,DB00831,https://go.drugbank.com/drugs/DB00831,
DBoRL370,Dalfopristin,"6-[2-(diethylamino)ethanesulfonyl]-21-hydroxy-11,19-dimethyl-10-(propan-2-yl)-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0?,?]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-tetrone",CCN(CC)CCS(=O)(=O)C1CCN2C(=O)c3coc(n3)CC(=O)CC(O)C=C(C)C=CCNC(=O)C=CC(C)C(C(C)C)OC(=O)C12,"InChI=1/C34H50N4O9S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)",SUYRLXYYZQTJHF-UHFFFAOYNA-N,C34H50N4O9S,Not Found,690.85,1.581890931,2,9,7,3,Large bacterial ribosomal subunit,Dalfopristin induced synergistic action and alter the peptidyl transferase centre of the ribosome. Dalfopristin binds close to quinupristin directly within the peptidyl transferase centre affecting both A- and P-site occupation by tRNA molecules.,15059283,,,,,,"Harms JM, Schl?nzen F, Fucini P, Bartels H, Yonath A. Alterations at the peptidyl transferase centre of the ribosome induced by the synergistic action of the streptogramins dalfopristin and quinupristin. BMC Biol. 2004 Apr 1;2:4. doi: 10.1186/1741-7007-2-4. PMID: 15059283; PMCID: PMC400760.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15059283/,,,,,,5366,Yes,Yes,,DB01764,https://go.drugbank.com/drugs/DB01764,
DBoRL371,Quinupristin,"N-[25-({1-azabicyclo[2.2.2]octan-3-ylsulfanyl}methyl)-3-{[4-(dimethylamino)phenyl]methyl}-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentaazatricyclo[20.4.0.0?,??]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide",CCC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(c2ccccc2)NC(=O)C2CC(=O)C(CSC3CN4CCC3CC4)CN2C(=O)C(Cc2ccc(N(C)C)cc2)N(C)C(=O)C2CCCN2C1=O,"InChI=1/C53H67N9O10S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65)",WTHRRGMBUAHGNI-UHFFFAOYNA-N,C53H67N9O10S,Not Found,1022.23,2.047587665,4,12,10,8,Large Ribosomal Subunit,Quinupristin induced synergistic action and alter the peptidyl transferase centre of the ribosome. Dalfopristin binds close to quinupristin directly within the peptidyl transferase centre affecting both A- and P-site occupation by tRNA molecules.,15059283,,,,,,"Harms JM, Schl?nzen F, Fucini P, Bartels H, Yonath A. Alterations at the peptidyl transferase centre of the ribosome induced by the synergistic action of the streptogramins dalfopristin and quinupristin. BMC Biol. 2004 Apr 1;2:4. doi: 10.1186/1741-7007-2-4. PMID: 15059283; PMCID: PMC400760.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15059283/,,,,,,71338,Yes,Yes,,DB01369,https://go.drugbank.com/drugs/DB01369,
DBoRL372,Biaryl ligand 3,N-[4-({[2-(3-aminopropoxy)-5-(naphthalen-2-yl)phenyl]methyl}amino)butyl]guanidine,N=C(N)NCCCCNCc1cc(-c2ccc3ccccc3c2)ccc1OCCCN,"InChI=1S/C25H33N5O/c26-12-5-15-31-24-11-10-22(21-9-8-19-6-1-2-7-20(19)16-21)17-23(24)18-29-13-3-4-14-30-25(27)28/h1-2,6-11,16-17,29H,3-5,12-15,18,26H2,(H4,27,28,30)",PUNUUHJRQJHRSE-UHFFFAOYSA-N,C25H33N5O,Not Found,419.573,2.72016928,5,6,12,3,HIV-1 TAR RNA,"Biaryl ligand 3, a synthetic inhibitor, binds with transcriptional activator protein, Tat, from human immunodeficiency virus type 1 and inhibits the Tat-TAR interaction.",15095977,,,,,,"Murchie AI, Davis B, Isel C, Afshar M, Drysdale MJ, Bower J, Potter AJ, Starkey ID, Swarbrick TM, Mirza S, Prescott CD, Vaglio P, Aboul-ela F, Karn J. Structure-based drug design targeting an inactive RNA conformation: exploiting the flexibility of HIV-1 TAR RNA. J Mol Biol. 2004 Feb 20;336(3):625-38. doi: 10.1016/j.jmb.2003.12.028. PMID: 15095977.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15095977/,,,,,,516508,No,No,,,,
DBoRL373,Biaryl ligand 4,N-[2-(2-{[(4-carbamimidamidobutyl)amino]methyl}-4-(thiophen-2-yl)phenoxy)ethyl]guanidine,N=C(N)NCCCCNCc1cc(-c2cccs2)ccc1OCCNC(=N)N,"InChI=1S/C19H29N7OS/c20-18(21)25-8-2-1-7-24-13-15-12-14(17-4-3-11-28-17)5-6-16(15)27-10-9-26-19(22)23/h3-6,11-12,24H,1-2,7-10,13H2,(H4,20,21,25)(H4,22,23,26)",ZXWNFFNCJKXXKP-UHFFFAOYSA-N,C19H29N7OS,Not Found,403.55,1.114110073,7,8,12,2,HIV-1 TAR RNA,"Biaryl ligand 4, a synthetic inhibitor, binds with transcriptional activator protein, Tat, from human immunodeficiency virus type 1 and inhibits the Tat-TAR interaction.",15095977,,,,,,"Murchie AI, Davis B, Isel C, Afshar M, Drysdale MJ, Bower J, Potter AJ, Starkey ID, Swarbrick TM, Mirza S, Prescott CD, Vaglio P, Aboul-ela F, Karn J. Structure-based drug design targeting an inactive RNA conformation: exploiting the flexibility of HIV-1 TAR RNA. J Mol Biol. 2004 Feb 20;336(3):625-38. doi: 10.1016/j.jmb.2003.12.028. PMID: 15095977.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15095977/,,,,,,516509,No,No,,,,
DBoRL374,Aminoquinolone derivative 3,"6-amino-1-cyclopropyl-4-oxo-7-[4-(pyridin-2-yl)piperazin-1-yl]-1,4-dihydroquinoline-3-carboxylic acid",Nc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2cc1N1CCN(c2ccccn2)CC1,"InChI=1S/C22H23N5O3/c23-17-11-15-18(27(14-4-5-14)13-16(21(15)28)22(29)30)12-19(17)25-7-9-26(10-8-25)20-3-1-2-6-24-20/h1-3,6,11-14H,4-5,7-10,23H2,(H,29,30)",USFBRPFCJRPYBI-UHFFFAOYSA-N,C22H23N5O3,Not Found,405.458,1.6087601,2,8,4,5,HIV-1 TAR RNA,"Aminoquinolone derivative 3, inhibits Human Immunodeficiency Virus Type 1 (HIV-1) Tat-trans-activation-responsive region interaction.",15105155,,,,,,"Richter S, Parolin C, Gatto B, Del Vecchio C, Brocca-Cofano E, Fravolini A, Pal? G, Palumbo M. Inhibition of human immunodeficiency virus type 1 tat-trans-activation-responsive region interaction by an antiviral quinolone derivative. Antimicrob Agents Chemother. 2004 May;48(5):1895-9. doi: 10.1128/aac.48.5.1895-1899.2004. PMID: 15105155; PMCID: PMC400552.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15105155/,,,,,,481124,No,No,,,,
DBoRL375,Aminoquinolone derivative 4,"6-fluoro-1-methyl-4-oxo-7-[4-(pyridin-2-yl)piperazin-1-yl]-1,4-dihydroquinoline-3-carboxylic acid",Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4ccccn4)CC3)cc21,"InChI=1S/C20H19FN4O3/c1-23-12-14(20(27)28)19(26)13-10-15(21)17(11-16(13)23)24-6-8-25(9-7-24)18-4-2-3-5-22-18/h2-5,10-12H,6-9H2,1H3,(H,27,28)",LHDJWUNMQLWBJR-UHFFFAOYSA-N,C20H19FN4O3,Not Found,382.395,1.927184755,1,7,3,4,HIV-1 TAR RNA,"Aminoquinolone derivative 4, inhibits Human Immunodeficiency Virus Type 1 (HIV-1) Tat-trans-activation-responsive region interaction.",15105155,,,,,,"Richter S, Parolin C, Gatto B, Del Vecchio C, Brocca-Cofano E, Fravolini A, Pal? G, Palumbo M. Inhibition of human immunodeficiency virus type 1 tat-trans-activation-responsive region interaction by an antiviral quinolone derivative. Antimicrob Agents Chemother. 2004 May;48(5):1895-9. doi: 10.1128/aac.48.5.1895-1899.2004. PMID: 15105155; PMCID: PMC400552.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15105155/,,,,,,481132,No,No,,,,
DBoRL376,Aminoquinolone derivative 5,"6-amino-1-tert-butyl-4-oxo-7-[4-(pyridin-2-yl)piperazin-1-yl]-1,4-dihydroquinoline-3-carboxylic acid",CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(N)c(N3CCN(c4ccccn4)CC3)cc21,"InChI=1S/C23H27N5O3/c1-23(2,3)28-14-16(22(30)31)21(29)15-12-17(24)19(13-18(15)28)26-8-10-27(11-9-26)20-6-4-5-7-25-20/h4-7,12-14H,8-11,24H2,1-3H3,(H,30,31)",MQDMMKWCYLAEMP-UHFFFAOYSA-N,C23H27N5O3,Not Found,421.501,2.299700309,2,8,4,4,HIV-1 TAR RNA,"Aminoquinolone derivative 5, inhibits Human Immunodeficiency Virus Type 1 (HIV-1) Tat-trans-activation-responsive region interaction.",15105155,,,,,,"Richter S, Parolin C, Gatto B, Del Vecchio C, Brocca-Cofano E, Fravolini A, Pal? G, Palumbo M. Inhibition of human immunodeficiency virus type 1 tat-trans-activation-responsive region interaction by an antiviral quinolone derivative. Antimicrob Agents Chemother. 2004 May;48(5):1895-9. doi: 10.1128/aac.48.5.1895-1899.2004. PMID: 15105155; PMCID: PMC400552.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15105155/,,,,,,460146,No,No,,,,
DBoRL377,Aminoquinolone derivative 6,"1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid",O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O,"InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)",MYSWGUAQZAJSOK-UHFFFAOYSA-N,C17H18FN3O3,85721-33-1,331.347,-0.832869735,2,6,3,4,HIV-1 TAR RNA,"Aminoquinolone derivative 6, inhibits Human Immunodeficiency Virus Type 1 (HIV-1) Tat-trans-activation-responsive region interaction.",15105155,,,,,,"Richter S, Parolin C, Gatto B, Del Vecchio C, Brocca-Cofano E, Fravolini A, Pal? G, Palumbo M. Inhibition of human immunodeficiency virus type 1 tat-trans-activation-responsive region interaction by an antiviral quinolone derivative. Antimicrob Agents Chemother. 2004 May;48(5):1895-9. doi: 10.1128/aac.48.5.1895-1899.2004. PMID: 15105155; PMCID: PMC400552.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15105155/,,,,,,2764,Yes,Yes,Investigational,DB00537,https://go.drugbank.com/drugs/DB00537,
DBoRL378,Glycine,2-aminoacetic acid,NCC(=O)O,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",DHMQDGOQFOQNFH-UHFFFAOYSA-N,C2H5NO2,"56-40-6,25718-94-9,18875-39-3,127883-08-3",75.067,-3.409459573,2,3,1,0,Aptamer,The compound is a glycine-dependent riboswitch that uses cooperative binding to control gene expression.,15472076,,,,,,"Mandal M, Lee M, Barrick JE et al. A glycine-dependent riboswitch that uses cooperative binding to control gene expression. Science 306, 275?279 (2004).",,,,,,https://pubmed.ncbi.nlm.nih.gov/15472076/,,,,,,750,Yes,Yes,Nutraceutical Vet_approved,DB00145,https://go.drugbank.com/drugs/DB00145,
DBoRL379,Quinacrine,6-chloro-N-[5-(diethylamino)pentan-2-yl]-2-methoxyacridin-9-amine,CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12,"InChI=1/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)",GPKJTRJOBQGKQK-UHFFFAOYNA-N,C23H30ClN3O,Not Found,399.96,5.151536958,1,4,9,3,Single Stranded Poly(A),"RNA tetraloops are known to interact with RNA receptors and proteins, and to form nucleation sites for RNA folding. Quinacrine binds to the GAAA tetraloop of RNA with the highest affinity & regulate/interfere the interaction of the tetraloop.",15501063,,,,,,"Yan Z, Baranger AM. Binding of an aminoacridine derivative to a GAAA RNA tetraloop. Bioorg Med Chem Lett. 2004 Dec 6;14(23):5889-93. doi: 10.1016/j.bmcl.2004.09.021. PMID: 15501063.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15501063/,,,,,,237,Yes,No,Investigational,DB01103,https://go.drugbank.com/drugs/DB01103,
DBoRL380,Tiamulin,"4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxotricyclo[5.4.3.0?,?]tetradecan-6-yl 2-{[2-(diethylamino)ethyl]sulfanyl}acetate",C=CC1(C)CC(OC(=O)CSCCN(CC)CC)C2(C)C(C)CCC3(CCC(=O)C32)C(C)C1O,"InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3",UURAUHCOJAIIRQ-UHFFFAOYNA-N,C28H47NO4S,Not Found,493.75,4.501427563,1,4,10,3,50S Ribosomal Subunit,"Tiamulin, which belongs to pleuromutilin class of antibiotics, is a potent inhibitor of protein synthesis in bacteria. Tiamulin bind with 50S ribosomal subunit & form a complex, for this complex formation interaction occur between the 23S rRNA & Tiamulin. Tiamulin is located within the peptidyl transferase center (PTC) of the 50S ribosomal subunit with its tricyclic mutilin core positioned in a tight pocket at the A-tRNA binding site. Also, the extension, which protrudes from its mutilin core, partially overlaps with the P-tRNA binding site. Hence, tiamulin directly inhibits peptide bond formation.",15554968,,,,,,"Schl?nzen F, Pyetan E, Fucini P, Yonath A, Harms JM. Inhibition of peptide bond formation by pleuromutilins: the structure of the 50S ribosomal subunit from Deinococcus radiodurans in complex with tiamulin. Mol Microbiol. 2004 Dec;54(5):1287-94. doi: 10.1111/j.1365-2958.2004.04346.x. PMID: 15554968.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15554968/,,,,,,4517617,Yes,No,Vet_approved,DB11468,https://go.drugbank.com/drugs/DB11468,
DBoRL381,Paromomycin derivative 1,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-(2-aminoethoxy)-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",NCCOC1C(OC2C(O)C(N)CC(N)C2OC2OC(CO)C(O)C(O)C2N)OC(CO)C1OC1OC(CN)C(O)C(O)C1N,"InChI=1/C25H50N6O14/c26-1-2-39-22-20(44-23-12(30)17(37)15(35)9(4-27)40-23)11(6-33)42-25(22)45-21-14(34)7(28)3-8(29)19(21)43-24-13(31)18(38)16(36)10(5-32)41-24/h7-25,32-38H,1-6,26-31H2",HQLFXZJBXJVGAV-UHFFFAOYNA-N,C25H50N6O14,Not Found,658.703,-8.462153254,13,20,12,4,16s rRNA A SITE,"Paromomycin derivative 1, an antibacterial aminoglycoside, binds to the 16S ribosomal-RNA A site i.e., decoding site & interfere with the decoding process of translation.",15593140,,,,,,"Fran?ois B, Szychowski J, Adhikari SS, Pachamuthu K, Swayze EE, Griffey RH, Migawa MT, Westhof E, Hanessian S. Antibacterial aminoglycosides with a modified mode of binding to the ribosomal-RNA decoding site. Angew Chem Int Ed Engl. 2004 Dec 10;43(48):6735-8. doi: 10.1002/anie.200462092. Erratum in: Angew Chem Int Ed Engl. 2007;46(17):2971. PMID: 15593140.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15593140/,,,,,,Not Found,No,No,,,,
DBoRL382,Paromomycin derivative 2,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-(3-aminopropoxy)-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",NCCCOC1C(OC2C(O)C(N)CC(N)C2OC2OC(CO)C(O)C(O)C2N)OC(CO)C1OC1OC(CN)C(O)C(O)C1N,"InChI=1/C26H52N6O14/c27-2-1-3-40-23-21(45-24-13(31)18(38)16(36)10(5-28)41-24)12(7-34)43-26(23)46-22-15(35)8(29)4-9(30)20(22)44-25-14(32)19(39)17(37)11(6-33)42-25/h8-26,33-39H,1-7,27-32H2",RZKCTNOGVHIDMJ-UHFFFAOYNA-N,C26H52N6O14,Not Found,672.73,-8.402193515,13,20,13,4,16s rRNA A SITE,"Paromomycin derivative 2, an antibacterial aminoglycoside, binds to the 16S ribosomal-RNA A site i.e., decoding site & interfere with the decoding process of translation.",15593140,,,,,,"Fran?ois B, Szychowski J, Adhikari SS, Pachamuthu K, Swayze EE, Griffey RH, Migawa MT, Westhof E, Hanessian S. Antibacterial aminoglycosides with a modified mode of binding to the ribosomal-RNA decoding site. Angew Chem Int Ed Engl. 2004 Dec 10;43(48):6735-8. doi: 10.1002/anie.200462092. Erratum in: Angew Chem Int Ed Engl. 2007;46(17):2971. PMID: 15593140.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15593140/,,,,,,Not Found,No,No,,,,
DBoRL383,Paromomycin derivative 3,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-2-(hydroxymethyl)-4-[(pyridin-3-yl)methoxy]oxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2OCc2cccnc2)C(N)C(O)C1O,"InChI=1/C29H50N6O14/c30-5-13-19(39)21(41)16(33)27(44-13)48-24-15(8-37)46-29(26(24)43-9-10-2-1-3-35-6-10)49-25-18(38)11(31)4-12(32)23(25)47-28-17(34)22(42)20(40)14(7-36)45-28/h1-3,6,11-29,36-42H,4-5,7-9,30-34H2",OBHDDTHCVZQKKF-UHFFFAOYNA-N,C29H50N6O14,Not Found,706.747,-7.158368755,12,20,12,5,16s rRNA A SITE,"Paromomycin derivative 3, an antibacterial aminoglycoside, binds to the 16S ribosomal-RNA A site i.e., decoding site & interfere with the decoding process of translation.",15593140,,,,,,"Fran?ois B, Szychowski J, Adhikari SS, Pachamuthu K, Swayze EE, Griffey RH, Migawa MT, Westhof E, Hanessian S. Antibacterial aminoglycosides with a modified mode of binding to the ribosomal-RNA decoding site. Angew Chem Int Ed Engl. 2004 Dec 10;43(48):6735-8. doi: 10.1002/anie.200462092. Erratum in: Angew Chem Int Ed Engl. 2007;46(17):2971. PMID: 15593140.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15593140/,,,,,,Not Found,No,No,,,,
DBoRL384,Adenine,7H-purin-6-amine,Nc1ncnc2nc[nH]c12,"InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)",GFFGJBXGBJISGV-UHFFFAOYSA-N,C5H5N5,"73-24-5,134434-48-3,134434-49-4,134454-76-5,66224-66-6,134461-75-9,71660-30-5,66224-67-7,66224-69-9,71660-29-2,1217770-71-2",135.13,-0.573470231,2,4,0,2,Adenine riboswitch,Adenine riboswitch specifically interacts with a small ligand that is adenine and directly express various genes which are involved in metabolism.,15610857,,,,,,"Serganov A, Yuan YR, Pikovskaya O, Polonskaia A, Malinina L, Phan AT, Hobartner C, Micura R, Breaker RR, Patel DJ. Structural basis for discriminative regulation of gene expression by adenine- and guanine-sensing mRNAs. Chem Biol. 2004 Dec;11(12):1729-41. doi: 10.1016/j.chembiol.2004.11.018. PMID: 15610857; PMCID: PMC4692365.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15610857/,,,,,,190,Yes,Yes,Nutraceutical,DB00173,https://go.drugbank.com/drugs/DB00173,
DBoRL385,Guanine,"2-amino-6,7-dihydro-1H-purin-6-one",Nc1nc2nc[nH]c2c(=O)[nH]1,"InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",UYTPUPDQBNUYGX-UHFFFAOYSA-N,C5H5N5O,"73-40-5,66224-61-1,66224-63-3,66224-64-4,71660-31-6,71660-36-1",151.129,-1.106949735,3,4,0,2,Guanine riboswitch ,"A-riboswitch and xpt G-riboswitch aptamer modules that distinguish between bound adenine and guanine with exquisite specificity and modulate expression of two different sets of genes. Recognition specificity is associated with Watson-Crick pairing of the encapsulated adenine and guanine ligands with uri-dine and cytosine, respectively.",15610857,,,,,,"Serganov A, Yuan YR, Pikovskaya O, Polonskaia A, Malinina L, Phan AT, Hobartner C, Micura R, Breaker RR, Patel DJ. Structural basis for discriminative regulation of gene expression by adenine- and guanine-sensing mRNAs. Chem Biol. 2004 Dec;11(12):1729-41. doi: 10.1016/j.chembiol.2004.11.018. PMID: 15610857; PMCID: PMC4692365.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15610857/,,,,,,135398634,Yes,No,Experimental,DB02377,https://go.drugbank.com/drugs/DB02377,
DBoRL386,G418(geneticin),"4-{[3-azaniumyl-4-hydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy}-6-{[3,5-dihydroxy-5-methyl-4-(methylazaniumyl)oxan-2-yl]oxy}-5-hydroxycyclohexane-1,3-bis(aminium)",[H][N+]([H])([H])C1CC(C(OC2OC(CC(O)C2[N+]([H])([H])[H])C(C)O)C(O)C1OC1OCC(C)(O)C(C1O)[N+]([H])([H])C)[N+]([H])([H])[H],"InChI=1/C20H40N4O9/c1-7(25)11-5-10(26)12(23)18(31-11)32-15-8(21)4-9(22)16(13(15)27)33-19-14(28)17(24-3)20(2,29)6-30-19/h7-19,24-29H,4-6,21-23H2,1-3H3/p+4",LNTKHVXBPNHZCV-UHFFFAOYNA-R,C20H44N4O9,Not Found,484.589,-4.610551739,9,9,6,3,E. coli A site of 16 S rRNA Ec(2AP),G418(geneticin) binds to E. coli A site of  16 S rRNA & interferes with protein translation process.,15663932,,,,,,"Kaul M, Barbieri CM, Pilch DS. Defining the basis for the specificity of aminoglycoside-rRNA recognition: a comparative study of drug binding to the A sites of Escherichia coli and human rRNA. J Mol Biol. 2005 Feb 11;346(1):119-34. doi: 10.1016/j.jmb.2004.11.041. Epub 2004 Dec 15. PMID: 15663932.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15663932/,,,,,,Not Found,Yes,No,Experimental,DB04263,https://go.drugbank.com/drugs/DB04263,This is the isomeric form of the drug approved by USFDA.
DBoRL387,G418(geneticin),"4-{[3-azaniumyl-4-hydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy}-6-{[3,5-dihydroxy-5-methyl-4-(methylazaniumyl)oxan-2-yl]oxy}-5-hydroxycyclohexane-1,3-bis(aminium)",[H][N+]([H])([H])C1CC(C(OC2OC(CC(O)C2[N+]([H])([H])[H])C(C)O)C(O)C1OC1OCC(C)(O)C(C1O)[N+]([H])([H])C)[N+]([H])([H])[H],"InChI=1/C20H40N4O9/c1-7(25)11-5-10(26)12(23)18(31-11)32-15-8(21)4-9(22)16(13(15)27)33-19-14(28)17(24-3)20(2,29)6-30-19/h7-19,24-29H,4-6,21-23H2,1-3H3/p+4",LNTKHVXBPNHZCV-UHFFFAOYNA-R,C20H44N4O9,Not Found,484.589,-4.610551739,9,9,6,3,Human A site of 18 S rRNA Hum(2AP),G418(geneticin) binds to Human A site of 18 S rRNA & interferes with protein translation process.,15663932,,,,,,"Kaul M, Barbieri CM, Pilch DS. Defining the basis for the specificity of aminoglycoside-rRNA recognition: a comparative study of drug binding to the A sites of Escherichia coli and human rRNA. J Mol Biol. 2005 Feb 11;346(1):119-34. doi: 10.1016/j.jmb.2004.11.041. Epub 2004 Dec 15. PMID: 15663932.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15663932/,,,,,,Not Found,Yes,No,Experimental,DB04263,https://go.drugbank.com/drugs/DB04263,This is the isomeric form of the drug approved by USFDA.
DBoRL388,Paromomycin,"5-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-4-{[3-azaniumyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexane-1,3-bis(aminium)",[H][N+]([H])([H])C1CC(C(OC2OC(CO)C(O)C(O)C2[N+]([H])([H])[H])C(OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2O)C1O)[N+]([H])([H])[H],"InChI=1/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/p+3",UOZODPSAJZTQNH-UHFFFAOYNA-Q,C23H48N5O14,Not Found,618.656,-8.308295949,13,16,9,4,A1408G/G1491A mutant E. coli A site 16 S rRNA,Paromomycin also has the ability to binds with A1408G/G1491A mutant E. coli A site 16S rRNA strain & interferes with protein translation process.,15663932,,,,,,"Kaul M, Barbieri CM, Pilch DS. Defining the basis for the specificity of aminoglycoside-rRNA recognition: a comparative study of drug binding to the A sites of Escherichia coli and human rRNA. J Mol Biol. 2005 Feb 11;346(1):119-34. doi: 10.1016/j.jmb.2004.11.041. Epub 2004 Dec 15. PMID: 15663932.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15663932/,,,,,,Not Found,Yes,Yes,Investigational,DB01421,https://go.drugbank.com/drugs/DB01421,This is the isomeric form of the drug approved by USFDA.
DBoRL389,Paromomycin,"5-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-4-{[3-azaniumyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexane-1,3-bis(aminium)",[H][N+]([H])([H])C1CC(C(OC2OC(CO)C(O)C(O)C2[N+]([H])([H])[H])C(OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2O)C1O)[N+]([H])([H])[H],"InChI=1/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/p+3",UOZODPSAJZTQNH-UHFFFAOYNA-Q,C23H48N5O14,Not Found,618.656,-8.308295949,13,16,9,4,A1408G mutant E. coli A site 16 S rRNA,Paromomycin also has the ability to binds with mutant E. coli A site 16S rRNA of A1408G strain & interferes with protein translation process.,15663932,,,,,,"Kaul M, Barbieri CM, Pilch DS. Defining the basis for the specificity of aminoglycoside-rRNA recognition: a comparative study of drug binding to the A sites of Escherichia coli and human rRNA. J Mol Biol. 2005 Feb 11;346(1):119-34. doi: 10.1016/j.jmb.2004.11.041. Epub 2004 Dec 15. PMID: 15663932.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15663932/,,,,,,Not Found,Yes,Yes,Investigational,DB01421,https://go.drugbank.com/drugs/DB01421,This is the isomeric form of the drug approved by USFDA.
DBoRL390,Paromomycin,"5-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-4-{[3-azaniumyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexane-1,3-bis(aminium)",[H][N+]([H])([H])C1CC(C(OC2OC(CO)C(O)C(O)C2[N+]([H])([H])[H])C(OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2O)C1O)[N+]([H])([H])[H],"InChI=1/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/p+3",UOZODPSAJZTQNH-UHFFFAOYNA-Q,C23H48N5O14,Not Found,618.656,-8.308295949,13,16,9,4,G1491A mutant E. coli A site 16 S rRNA,Paromomycin also has the ability to binds with mutant E. coli A site 16S rRNA of G1491A strain & interferes with protein translation process.,15663932,,,,,,"Kaul M, Barbieri CM, Pilch DS. Defining the basis for the specificity of aminoglycoside-rRNA recognition: a comparative study of drug binding to the A sites of Escherichia coli and human rRNA. J Mol Biol. 2005 Feb 11;346(1):119-34. doi: 10.1016/j.jmb.2004.11.041. Epub 2004 Dec 15. PMID: 15663932.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15663932/,,,,,,Not Found,Yes,Yes,Investigational,DB01421,https://go.drugbank.com/drugs/DB01421,This is the isomeric form of the drug approved by USFDA.
DBoRL391,Paromomycin,"5-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-4-{[3-azaniumyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexane-1,3-bis(aminium)",[H][N+]([H])([H])C1CC(C(OC2OC(CO)C(O)C(O)C2[N+]([H])([H])[H])C(OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2O)C1O)[N+]([H])([H])[H],"InChI=1/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/p+3",UOZODPSAJZTQNH-UHFFFAOYNA-Q,C23H48N5O14,Not Found,618.656,-8.308295949,13,16,9,4,E. coli A site of 16 S rRNA Ec(2AP),Paromomycin binds to E. coli A site of  16 S rRNA & interferes with protein translation process.,15663932,,,,,,"Kaul M, Barbieri CM, Pilch DS. Defining the basis for the specificity of aminoglycoside-rRNA recognition: a comparative study of drug binding to the A sites of Escherichia coli and human rRNA. J Mol Biol. 2005 Feb 11;346(1):119-34. doi: 10.1016/j.jmb.2004.11.041. Epub 2004 Dec 15. PMID: 15663932.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15663932/,,,,,,Not Found,Yes,Yes,Investigational,DB01421,https://go.drugbank.com/drugs/DB01421,This is the isomeric form of the drug approved by USFDA.
DBoRL392,Paromomycin,"5-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-4-{[3-azaniumyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexane-1,3-bis(aminium)",[H][N+]([H])([H])C1CC(C(OC2OC(CO)C(O)C(O)C2[N+]([H])([H])[H])C(OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2O)C1O)[N+]([H])([H])[H],"InChI=1/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/p+3",UOZODPSAJZTQNH-UHFFFAOYNA-Q,C23H48N5O14,Not Found,618.656,-8.308295949,13,16,9,4,Human A site of 18 S rRNA Hum(2AP),Paromomycin binds to Human A site of 18 S rRNA & interferes with protein translation process.,15663932,,,,,,"Kaul M, Barbieri CM, Pilch DS. Defining the basis for the specificity of aminoglycoside-rRNA recognition: a comparative study of drug binding to the A sites of Escherichia coli and human rRNA. J Mol Biol. 2005 Feb 11;346(1):119-34. doi: 10.1016/j.jmb.2004.11.041. Epub 2004 Dec 15. PMID: 15663932.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15663932/,,,,,,Not Found,Yes,Yes,Investigational,DB01421,https://go.drugbank.com/drugs/DB01421,This is the isomeric form of the drug approved by USFDA.
DBoRL393,Napthyridine monomer (1),"3-amino-N-(7-methyl-1,8-naphthyridin-2-yl)propanamide",CC1=NC2=C(C=C1)C=CC(NC(=O)CCN)=N2,"InChI=1S/C12H14N4O/c1-8-2-3-9-4-5-10(16-12(9)14-8)15-11(17)6-7-13/h2-5H,6-7,13H2,1H3,(H,14,15,16,17)",DMYHZPAIJGJEMG-UHFFFAOYSA-N,C12H14N4O,Not Found,230.271,0.514653559,2,4,3,2,HIV RRE IIB nucleic acid Stem loop Construct I,"Napthyridine dimer 1 is able to binds specifically to G?G mismatches in RNA constructs, but the binding is indiscriminate as G?G mismatches within duplexes of RNA?DNA and DNA?DNA are also able to binds to both ligands 1 and 2. However, the binding affinity was slightly lower for RNA duplex and RNA?DNA heteroduplex compared to DNA?DNA duplex. By this way, Napthyridine monomer 1 specifically recognise followed by interacts with HIV RRE IIB nucleic acid Stem loop Construct I.",15664866,,,,,,"Tok JB, Bi L, Saenz M. Specific recognition of napthyridine-based ligands toward guanine-containing bulges in RNA duplexes and RNA-DNA heteroduplexes. Bioorg Med Chem Lett. 2005 Feb 1;15(3):827-31. doi: 10.1016/j.bmcl.2004.10.059. PMID: 15664866.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15664866/,,,,,,44391394,No,No,,,,
DBoRL394,Napthyridine monomer (1),"3-amino-N-(7-methyl-1,8-naphthyridin-2-yl)propanamide",CC1=NC2=C(C=C1)C=CC(NC(=O)CCN)=N2,"InChI=1S/C12H14N4O/c1-8-2-3-9-4-5-10(16-12(9)14-8)15-11(17)6-7-13/h2-5H,6-7,13H2,1H3,(H,14,15,16,17)",DMYHZPAIJGJEMG-UHFFFAOYSA-N,C12H14N4O,Not Found,230.271,0.514653559,2,4,3,2,HIV RRE IIB nucleic acid Stem loop Construct J,"Napthyridine dimer 1 is able to binds specifically to G?G mismatches in RNA constructs, but the binding is indiscriminate as G?G mismatches within duplexes of RNA?DNA and DNA?DNA are also able to binds to both ligands 1 and 2. However, the binding affinity was slightly lower for RNA duplex and RNA?DNA heteroduplex compared to DNA?DNA duplex. By this way, Napthyridine monomer 1 specifically recognise followed by interacts with HIV RRE IIB nucleic acid Stem loop Construct J.",15664866,,,,,,"Tok JB, Bi L, Saenz M. Specific recognition of napthyridine-based ligands toward guanine-containing bulges in RNA duplexes and RNA-DNA heteroduplexes. Bioorg Med Chem Lett. 2005 Feb 1;15(3):827-31. doi: 10.1016/j.bmcl.2004.10.059. PMID: 15664866.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15664866/,,,,,,44391394,No,No,,,,
DBoRL395,Napthyridine monomer (1),"3-amino-N-(7-methyl-1,8-naphthyridin-2-yl)propanamide",CC1=NC2=C(C=C1)C=CC(NC(=O)CCN)=N2,"InChI=1S/C12H14N4O/c1-8-2-3-9-4-5-10(16-12(9)14-8)15-11(17)6-7-13/h2-5H,6-7,13H2,1H3,(H,14,15,16,17)",DMYHZPAIJGJEMG-UHFFFAOYSA-N,C12H14N4O,Not Found,230.271,0.514653559,2,4,3,2,HIV RRE IIB nucleic acid Stem loop Construct K,"Napthyridine dimer 1 is able to binds specifically to G?G mismatches in RNA constructs, but the binding is indiscriminate as G?G mismatches within duplexes of RNA?DNA and DNA?DNA are also able to binds to both ligands 1 and 2. However, the binding affinity was slightly lower for RNA duplex and RNA?DNA heteroduplex compared to DNA?DNA duplex. By this way, Napthyridine monomer 1 specifically recognise followed by interacts with HIV RRE IIB nucleic acid Stem loop Construct K.",15664866,,,,,,"Tok JB, Bi L, Saenz M. Specific recognition of napthyridine-based ligands toward guanine-containing bulges in RNA duplexes and RNA-DNA heteroduplexes. Bioorg Med Chem Lett. 2005 Feb 1;15(3):827-31. doi: 10.1016/j.bmcl.2004.10.059. PMID: 15664866.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15664866/,,,,,,44391394,No,No,,,,
DBoRL396,Napthyridine dimer (2),"N-(7-methyl-1,8-naphthyridin-2-yl)-3-{[2-({2-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyl]ethyl}amino)ethyl]amino}propanamide",CC1=CC=C2C=CC(NC(=O)CCNCCNCCC(=O)NC3=CC=C4C=CC(C)=NC4=N3)=NC2=N1,"InChI=1S/C26H30N8O2/c1-17-3-5-19-7-9-21(33-25(19)29-17)31-23(35)11-13-27-15-16-28-14-12-24(36)32-22-10-8-20-6-4-18(2)30-26(20)34-22/h3-10,27-28H,11-16H2,1-2H3,(H,29,31,33,35)(H,30,32,34,36)",ZDLFJVYKVWEADX-UHFFFAOYSA-N,C26H30N8O2,Not Found,486.58,1.722942961,4,8,11,4,HIV RRE IIB nucleic acid Stem loop Construct A,"Napthyridine-based ligand specifically recognises guanine-containing bulges in RNA duplexes and RNA?DNA heteroduplexes. Napthyridine dimer 2 is able to specifically binds G?G mismatches in all nucleic acid constructs comprising of RNA?RNA, RNA?DNA and DNA?DNA duplexes. The bindsing process primarily occurs between the guanine base pairs and the napthyridine moiety, and is independent of the tertiary structure of the nucleic acid duplexes. By this way, Napthyridine dimer 2 specifically recognises followed by interacts with HIV RRE IIB nucleic acid Stem loop Construct A.",15664866,,,,,,"Tok JB, Bi L, Saenz M. Specific recognition of napthyridine-based ligands toward guanine-containing bulges in RNA duplexes and RNA-DNA heteroduplexes. Bioorg Med Chem Lett. 2005 Feb 1;15(3):827-31. doi: 10.1016/j.bmcl.2004.10.059. PMID: 15664866.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15664866/,,,,,,44391261,No,No,,,,
DBoRL397,Napthyridine dimer (2),"N-(7-methyl-1,8-naphthyridin-2-yl)-3-{[2-({2-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyl]ethyl}amino)ethyl]amino}propanamide",CC1=CC=C2C=CC(NC(=O)CCNCCNCCC(=O)NC3=CC=C4C=CC(C)=NC4=N3)=NC2=N1,"InChI=1S/C26H30N8O2/c1-17-3-5-19-7-9-21(33-25(19)29-17)31-23(35)11-13-27-15-16-28-14-12-24(36)32-22-10-8-20-6-4-18(2)30-26(20)34-22/h3-10,27-28H,11-16H2,1-2H3,(H,29,31,33,35)(H,30,32,34,36)",ZDLFJVYKVWEADX-UHFFFAOYSA-N,C26H30N8O2,Not Found,486.58,1.722942961,4,8,11,4,HIV RRE IIB nucleic acid Stem loop Construct B,"Napthyridine-based ligand specifically recognises guanine-containing bulges in RNA duplexes and RNA?DNA heteroduplexes. Napthyridine dimer 2 is able to specifically binds G?G mismatches in all nucleic acid constructs comprising of RNA?RNA, RNA?DNA and DNA?DNA duplexes. The bindsing process primarily occurs between the guanine base pairs and the napthyridine moiety, and is independent of the tertiary structure of the nucleic acid duplexes. By this way, Napthyridine dimer 2 specifically recognises followed by interacts with HIV RRE IIB nucleic acid Stem loop Construct B.",15664866,,,,,,"Tok JB, Bi L, Saenz M. Specific recognition of napthyridine-based ligands toward guanine-containing bulges in RNA duplexes and RNA-DNA heteroduplexes. Bioorg Med Chem Lett. 2005 Feb 1;15(3):827-31. doi: 10.1016/j.bmcl.2004.10.059. PMID: 15664866.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15664866/,,,,,,44391261,No,No,,,,
DBoRL398,Napthyridine dimer (2),"N-(7-methyl-1,8-naphthyridin-2-yl)-3-{[2-({2-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyl]ethyl}amino)ethyl]amino}propanamide",CC1=CC=C2C=CC(NC(=O)CCNCCNCCC(=O)NC3=CC=C4C=CC(C)=NC4=N3)=NC2=N1,"InChI=1S/C26H30N8O2/c1-17-3-5-19-7-9-21(33-25(19)29-17)31-23(35)11-13-27-15-16-28-14-12-24(36)32-22-10-8-20-6-4-18(2)30-26(20)34-22/h3-10,27-28H,11-16H2,1-2H3,(H,29,31,33,35)(H,30,32,34,36)",ZDLFJVYKVWEADX-UHFFFAOYSA-N,C26H30N8O2,Not Found,486.58,1.722942961,4,8,11,4,HIV RRE IIB nucleic acid Stem loop Construct C,"Napthyridine-based ligand specifically recognises guanine-containing bulges in RNA duplexes and RNA?DNA heteroduplexes. Napthyridine dimer 2 is able to specifically binds G?G mismatches in all nucleic acid constructs comprising of RNA?RNA, RNA?DNA and DNA?DNA duplexes. The bindsing process primarily occurs between the guanine base pairs and the napthyridine moiety, and is independent of the tertiary structure of the nucleic acid duplexes. By this way, Napthyridine dimer 2 specifically recognises followed by interacts with HIV RRE IIB nucleic acid Stem loop Construct C.",15664866,,,,,,"Tok JB, Bi L, Saenz M. Specific recognition of napthyridine-based ligands toward guanine-containing bulges in RNA duplexes and RNA-DNA heteroduplexes. Bioorg Med Chem Lett. 2005 Feb 1;15(3):827-31. doi: 10.1016/j.bmcl.2004.10.059. PMID: 15664866.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15664866/,,,,,,44391261,No,No,,,,
DBoRL399,Napthyridine dimer (2),"N-(7-methyl-1,8-naphthyridin-2-yl)-3-{[2-({2-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyl]ethyl}amino)ethyl]amino}propanamide",CC1=CC=C2C=CC(NC(=O)CCNCCNCCC(=O)NC3=CC=C4C=CC(C)=NC4=N3)=NC2=N1,"InChI=1S/C26H30N8O2/c1-17-3-5-19-7-9-21(33-25(19)29-17)31-23(35)11-13-27-15-16-28-14-12-24(36)32-22-10-8-20-6-4-18(2)30-26(20)34-22/h3-10,27-28H,11-16H2,1-2H3,(H,29,31,33,35)(H,30,32,34,36)",ZDLFJVYKVWEADX-UHFFFAOYSA-N,C26H30N8O2,Not Found,486.58,1.722942961,4,8,11,4,HIV RRE IIB nucleic acid Stem loop Construct D,"Napthyridine-based ligand specifically recognises guanine-containing bulges in RNA duplexes and RNA?DNA heteroduplexes. Napthyridine dimer 2 is able to specifically binds G?G mismatches in all nucleic acid constructs comprising of RNA?RNA, RNA?DNA and DNA?DNA duplexes. The bindsing process primarily occurs between the guanine base pairs and the napthyridine moiety, and is independent of the tertiary structure of the nucleic acid duplexes. By this way, Napthyridine dimer 2 specifically recognises followed by interacts with HIV RRE IIB nucleic acid Stem loop Construct D.",15664866,,,,,,"Tok JB, Bi L, Saenz M. Specific recognition of napthyridine-based ligands toward guanine-containing bulges in RNA duplexes and RNA-DNA heteroduplexes. Bioorg Med Chem Lett. 2005 Feb 1;15(3):827-31. doi: 10.1016/j.bmcl.2004.10.059. PMID: 15664866.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15664866/,,,,,,44391261,No,No,,,,
DBoRL400,Napthyridine dimer (2),"N-(7-methyl-1,8-naphthyridin-2-yl)-3-{[2-({2-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyl]ethyl}amino)ethyl]amino}propanamide",CC1=CC=C2C=CC(NC(=O)CCNCCNCCC(=O)NC3=CC=C4C=CC(C)=NC4=N3)=NC2=N1,"InChI=1S/C26H30N8O2/c1-17-3-5-19-7-9-21(33-25(19)29-17)31-23(35)11-13-27-15-16-28-14-12-24(36)32-22-10-8-20-6-4-18(2)30-26(20)34-22/h3-10,27-28H,11-16H2,1-2H3,(H,29,31,33,35)(H,30,32,34,36)",ZDLFJVYKVWEADX-UHFFFAOYSA-N,C26H30N8O2,Not Found,486.58,1.722942961,4,8,11,4,HIV RRE IIB nucleic acid Stem loop Construct E,"Napthyridine-based ligand specifically recognises guanine-containing bulges in RNA duplexes and RNA?DNA heteroduplexes. Napthyridine dimer 2 is able to specifically binds G?G mismatches in all nucleic acid constructs comprising of RNA?RNA, RNA?DNA and DNA?DNA duplexes. The bindsing process primarily occurs between the guanine base pairs and the napthyridine moiety, and is independent of the tertiary structure of the nucleic acid duplexes. By this way, Napthyridine dimer 2 specifically recognises followed by interacts with HIV RRE IIB nucleic acid Stem loop Construct E.",15664866,,,,,,"Tok JB, Bi L, Saenz M. Specific recognition of napthyridine-based ligands toward guanine-containing bulges in RNA duplexes and RNA-DNA heteroduplexes. Bioorg Med Chem Lett. 2005 Feb 1;15(3):827-31. doi: 10.1016/j.bmcl.2004.10.059. PMID: 15664866.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15664866/,,,,,,44391261,No,No,,,,
DBoRL401,Napthyridine dimer (2),"N-(7-methyl-1,8-naphthyridin-2-yl)-3-{[2-({2-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyl]ethyl}amino)ethyl]amino}propanamide",CC1=CC=C2C=CC(NC(=O)CCNCCNCCC(=O)NC3=CC=C4C=CC(C)=NC4=N3)=NC2=N1,"InChI=1S/C26H30N8O2/c1-17-3-5-19-7-9-21(33-25(19)29-17)31-23(35)11-13-27-15-16-28-14-12-24(36)32-22-10-8-20-6-4-18(2)30-26(20)34-22/h3-10,27-28H,11-16H2,1-2H3,(H,29,31,33,35)(H,30,32,34,36)",ZDLFJVYKVWEADX-UHFFFAOYSA-N,C26H30N8O2,Not Found,486.58,1.722942961,4,8,11,4,HIV RRE IIB nucleic acid Stem loop Construct F,"Napthyridine-based ligand specifically recognises guanine-containing bulges in RNA duplexes and RNA?DNA heteroduplexes. Napthyridine dimer 2 is able to specifically binds G?G mismatches in all nucleic acid constructs comprising of RNA?RNA, RNA?DNA and DNA?DNA duplexes. The bindsing process primarily occurs between the guanine base pairs and the napthyridine moiety, and is independent of the tertiary structure of the nucleic acid duplexes. By this way, Napthyridine dimer 2 specifically recognises followed by interacts with HIV RRE IIB nucleic acid Stem loop Construct F.",15664866,,,,,,"Tok JB, Bi L, Saenz M. Specific recognition of napthyridine-based ligands toward guanine-containing bulges in RNA duplexes and RNA-DNA heteroduplexes. Bioorg Med Chem Lett. 2005 Feb 1;15(3):827-31. doi: 10.1016/j.bmcl.2004.10.059. PMID: 15664866.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15664866/,,,,,,44391261,No,No,,,,
DBoRL402,Napthyridine dimer (2),"N-(7-methyl-1,8-naphthyridin-2-yl)-3-{[2-({2-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyl]ethyl}amino)ethyl]amino}propanamide",CC1=CC=C2C=CC(NC(=O)CCNCCNCCC(=O)NC3=CC=C4C=CC(C)=NC4=N3)=NC2=N1,"InChI=1S/C26H30N8O2/c1-17-3-5-19-7-9-21(33-25(19)29-17)31-23(35)11-13-27-15-16-28-14-12-24(36)32-22-10-8-20-6-4-18(2)30-26(20)34-22/h3-10,27-28H,11-16H2,1-2H3,(H,29,31,33,35)(H,30,32,34,36)",ZDLFJVYKVWEADX-UHFFFAOYSA-N,C26H30N8O2,Not Found,486.58,1.722942961,4,8,11,4,HIV RRE IIB nucleic acid Stem loop Construct G,"Napthyridine-based ligand specifically recognises guanine-containing bulges in RNA duplexes and RNA?DNA heteroduplexes. Napthyridine dimer 2 is able to specifically binds G?G mismatches in all nucleic acid constructs comprising of RNA?RNA, RNA?DNA and DNA?DNA duplexes. The bindsing process primarily occurs between the guanine base pairs and the napthyridine moiety, and is independent of the tertiary structure of the nucleic acid duplexes. By this way, Napthyridine dimer 2 specifically recognises followed by interacts with HIV RRE IIB nucleic acid Stem loop Construct G.",15664866,,,,,,"Tok JB, Bi L, Saenz M. Specific recognition of napthyridine-based ligands toward guanine-containing bulges in RNA duplexes and RNA-DNA heteroduplexes. Bioorg Med Chem Lett. 2005 Feb 1;15(3):827-31. doi: 10.1016/j.bmcl.2004.10.059. PMID: 15664866.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15664866/,,,,,,44391261,No,No,,,,
DBoRL403,Napthyridine dimer (2),"N-(7-methyl-1,8-naphthyridin-2-yl)-3-{[2-({2-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyl]ethyl}amino)ethyl]amino}propanamide",CC1=CC=C2C=CC(NC(=O)CCNCCNCCC(=O)NC3=CC=C4C=CC(C)=NC4=N3)=NC2=N1,"InChI=1S/C26H30N8O2/c1-17-3-5-19-7-9-21(33-25(19)29-17)31-23(35)11-13-27-15-16-28-14-12-24(36)32-22-10-8-20-6-4-18(2)30-26(20)34-22/h3-10,27-28H,11-16H2,1-2H3,(H,29,31,33,35)(H,30,32,34,36)",ZDLFJVYKVWEADX-UHFFFAOYSA-N,C26H30N8O2,Not Found,486.58,1.722942961,4,8,11,4,HIV RRE IIB nucleic acid Stem loop Construct H,"Napthyridine-based ligand specifically recognises guanine-containing bulges in RNA duplexes and RNA?DNA heteroduplexes. Napthyridine dimer 2 is able to specifically binds G?G mismatches in all nucleic acid constructs comprising of RNA?RNA, RNA?DNA and DNA?DNA duplexes. The bindsing process primarily occurs between the guanine base pairs and the napthyridine moiety, and is independent of the tertiary structure of the nucleic acid duplexes. By this way, Napthyridine dimer 2 specifically recognises followed by interacts with HIV RRE IIB nucleic acid Stem loop Construct H.",15664866,,,,,,"Tok JB, Bi L, Saenz M. Specific recognition of napthyridine-based ligands toward guanine-containing bulges in RNA duplexes and RNA-DNA heteroduplexes. Bioorg Med Chem Lett. 2005 Feb 1;15(3):827-31. doi: 10.1016/j.bmcl.2004.10.059. PMID: 15664866.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15664866/,,,,,,44391261,No,No,,,,
DBoRL404,CHEMBL180556,"N-(7-methyl-1,8-naphthyridin-2-yl)-3-{[2-({2-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyl]ethyl}amino)ethyl]amino}propanamide",Cc1ccc2ccc(NC(=O)CCNCCNCCC(=O)Nc3ccc4ccc(C)nc4n3)nc2n1,"InChI=1S/C26H30N8O2/c1-17-3-5-19-7-9-21(33-25(19)29-17)31-23(35)11-13-27-15-16-28-14-12-24(36)32-22-10-8-20-6-4-18(2)30-26(20)34-22/h3-10,27-28H,11-16H2,1-2H3,(H,29,31,33,35)(H,30,32,34,36)",ZDLFJVYKVWEADX-UHFFFAOYSA-N,C26H30N8O2,Not Found,486.58,1.722942961,4,8,11,4,HIV RRE IIB nucleic acid Stem loop ,The compound is a napthyridine-based ligand that binds with guanine-containing bulges in RNA duplexes and RNA?DNA heteroduplexes.,15664866,,,,,,"Tok JB, Bi L, Saenz M. Specific recognition of napthyridine-based ligands toward guanine-containing bulges in RNA duplexes and RNA-DNA heteroduplexes. Bioorg Med Chem Lett. 2005 Feb 1;15(3):827-31. doi: 10.1016/j.bmcl.2004.10.059. PMID: 15664866.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15664866/,,,,,,44391261,No,No,,,,
DBoRL405,"2-(beta-Alanylamino)-7-methyl-1,8-naphthyridine","3-amino-N-(7-methyl-1,8-naphthyridin-2-yl)propanamide",Cc1ccc2ccc(NC(=O)CCN)nc2n1,"InChI=1S/C12H14N4O/c1-8-2-3-9-4-5-10(16-12(9)14-8)15-11(17)6-7-13/h2-5H,6-7,13H2,1H3,(H,14,15,16,17)",DMYHZPAIJGJEMG-UHFFFAOYSA-N,C12H14N4O,Not Found,230.271,0.514653559,2,4,3,2,HIV RRE IIB nucleic acid Stem loop ,The compound is a napthyridine-based ligand that binds with guanine-containing bulges in RNA duplexes and RNA?DNA heteroduplexes.,15664866,,,,,,"Tok JB, Bi L, Saenz M. Specific recognition of napthyridine-based ligands toward guanine-containing bulges in RNA duplexes and RNA-DNA heteroduplexes. Bioorg Med Chem Lett. 2005 Feb 1;15(3):827-31. doi: 10.1016/j.bmcl.2004.10.059. PMID: 15664866.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15664866/,,,,,,44391394,No,No,,,,
DBoRL406,"(3AS,9AS)-2-Pentyl-4-hydroxymethyl-3A,4,9,9A-tetrahydro-4,9[1',2']-benzeno-1H-benz[F]isoindole-1,3(2H)-dione","1-(hydroxymethyl)-17-pentyl-17-azapentacyclo[6.6.5.0?,?.0?,??.0??,??]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione",CCCCCN1C(=O)C2C3c4ccccc4C(CO)(c4ccccc43)C2C1=O,"InChI=1/C24H25NO3/c1-2-3-8-13-25-22(27)20-19-15-9-4-6-11-17(15)24(14-26,21(20)23(25)28)18-12-7-5-10-16(18)19/h4-7,9-12,19-21,26H,2-3,8,13-14H2,1H3",ZXWOIFZYPFUNNQ-UHFFFAOYNA-N,C24H25NO3,Not Found,375.468,3.155820486,1,3,5,5,Diels-Alder ribozyme,"Ribozyme catalyses enantioselective carbon-carbon bond formation by the Diels-Alder reaction in the unbound state and in complex with a reaction product like (3AS,9AS)-2-Pentyl-4-hydroxymethyl-3A,4,9,9A-tetrahydro-4,9[1',2']-benzeno-1H-benz[F]isoindole-1,3(2H)-dione. The RNA adopts a ?-shaped nested pseudoknot architecture whose preformed hydrophobic pocket is precisely complementary in shape to the reaction product. RNA folding and product binding are dictated by extensive stacking and hydrogen bonding, whereas stereo-selection is governed by the shape of the catalytic pocket. Catalysis is apparently achieved by a combination of proximity, complementarity and electronic effects. ",15723077,,,,,,"Serganov, Alexander & Keiper, Sonja & Malinina, Lucy & Tereshko, Valentina & Skripkin, Eugene & H?bartner, Claudia & Polonskaia, Ann & Phan, Anh Tuan & Wombacher, Richard & Micura, Ronald & Dauter, Zbigniew & J?schke, Andres & Patel, Dinshaw. (2005). Structural basis for Diels-Alder ribozyme-catalyzed carbon-carbon bond formation. Nature structural & molecular biology. 12. 218-24. 10.1038/nsmb906. ",,,,,,https://pubmed.ncbi.nlm.nih.gov/15723077/,,,,,,Not Found,No,No,,,,
DBoRL407,Apramycin,"5-amino-2-({7-amino-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-4-hydroxy-3-(methylamino)-octahydropyrano[3,2-b]pyran-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4-diol",CNC1C(O)C2OC(OC3C(N)CC(N)C(O)C3O)C(N)CC2OC1OC1OC(CO)C(N)C(O)C1O,"InChI=1/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3",XZNUGFQTQHRASN-UHFFFAOYNA-N,C21H41N5O11,Not Found,539.583,-6.508110424,11,16,6,4,1YRJ Bacterial 16 S Ribosomal RNA A Site Oligonucleotide: ,Apramycin binds with Pseudo Base Pairs and Triples in an Apramycin?RNA Complex. The mycin group of apramycin spans the RNA helix from the interior at the deep (major) groove to the exterior at the shallow (minor) groove.,15849690,,,,,,"Han Q, Zhao Q, Fish S, Simonsen KB, Vourloumis D, Froelich JM, Wall D, Hermann T. Molecular recognition by glycoside pseudo base pairs and triples in an apramycin-RNA complex. Angew Chem Int Ed Engl. 2005 Apr 29;44(18):2694-2700. doi: 10.1002/anie.200500028. PMID: 15849690.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15849690/,,,,,,439519,Yes,No,Experimental Vet_approved,DB04626,https://go.drugbank.com/drugs/DB04626,
DBoRL408,Apramycin,"5-amino-2-({7-amino-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-4-hydroxy-3-(methylamino)-octahydropyrano[3,2-b]pyran-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4-diol",CNC1C(OC2OC(CO)C(N)C(O)C2O)OC2CC(N)C(OC3C(N)CC(N)C(O)C3O)OC2C1O,"InChI=1/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3",XZNUGFQTQHRASN-UHFFFAOYNA-N,C21H41N5O11,Not Found,539.583,-6.508110424,11,16,6,4,Ribosomal RNA A-site,"Apramycin is an aminoglycoside antibiotic molecule, which bind to 16S rRNA near the mRNA decoding site and thereby decrease the fidelity of translation by lowering the energetic cost of a conformational transition in the ribosome that is required for the discrimination between near-cognate and cognate tRNAs.",15849690,,,,,,"Han Q, Zhao Q, Fish S, Simonsen KB, Vourloumis D, Froelich JM, Wall D, Hermann T. Molecular recognition by glycoside pseudo base pairs and triples in an apramycin-RNA complex. Angew Chem Int Ed Engl. 2005 Apr 29;44(18):2694-700. doi: 10.1002/anie.200500028. PMID: 15849690.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15849690/,,,,,,439519,Yes,No,Experimental Vet_approved,DB04626,https://go.drugbank.com/drugs/DB04626,
DBoRL409,Erythromycin,"6-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione",CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O,"InChI=1/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3",ULGZDMOVFRHVEP-UHFFFAOYNA-N,C37H67NO13,Not Found,733.937,2.596388847,5,13,7,3,mutated large ribosomal subunit,"Erythromycin is an antibiotic that bound to mutated large ribosomal subunit. For the mutation of this large ribosomal subunit, though the antibiotic molecule binds with the ribosome, translation still remain comtinuous. As a result the bacteria become resistant.",15851032,,,,,,"Tu D, Blaha G, Moore PB, Steitz TA. Structures of MLSBK antibiotics bound to mutated large ribosomal subunits provide a structural explanation for resistance. Cell. 2005 Apr 22;121(2):257-70. doi: 10.1016/j.cell.2005.02.005. PMID: 15851032.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15851032/,,,,,,3255,Yes,Yes,Investigational Vet_approved,DB00199,https://go.drugbank.com/drugs/DB00199,
DBoRL410,Virginiamycin M,"21-hydroxy-11,19-dimethyl-10-(propan-2-yl)-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0?,?]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-tetrone",CC1=CC(O)CC(=O)Cc2nc(co2)C(=O)N2CCCC2C(=O)OC(C(C)C)C(C)C=CC(=O)NCC=C1,"InChI=1/C28H37N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7,9-10,13,16-17,19-20,23,26,32H,6,8,11-12,14-15H2,1-4H3,(H,29,34)",JOOMGSFOCRDAHL-UHFFFAOYNA-N,C28H37N3O7,Not Found,527.618,2.323155134,2,6,1,3,50S Ribosome,"Virginiamycin M, an A-type streptogramin, bound to the large ribosomal subunit & thus interfering with translation.",15851032,,,,,,"Tu D, Blaha G, Moore PB, Steitz TA. Structures of MLSBK antibiotics bound to mutated large ribosomal subunits provide a structural explanation for resistance. Cell. 2005 Apr 22;121(2):257-70. doi: 10.1016/j.cell.2005.02.005. PMID: 15851032.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15851032/,,,,,,73087532,Yes,No,Experimental,DB01669,https://go.drugbank.com/drugs/DB01669,This is the isomeric form of the drug approved by USFDA.
DBoRL411,Virginiamycin m1,"21-hydroxy-11,19-dimethyl-10-(propan-2-yl)-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0?,?]octacosa-1(27),6,12,17,19,25(28)-hexaene-2,8,14,23-tetrone",CC1=CC(O)CC(=O)Cc2nc(co2)C(=O)N2CCC=C2C(=O)OC(C(C)C)C(C)C=CC(=O)NCC=C1,"InChI=1/C28H35N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)",DAIKHDNSXMZDCU-UHFFFAOYNA-N,C28H35N3O7,Not Found,525.602,2.376421082,2,6,1,3,50S Ribosomal Subunit,"Virginiamycin M, an A-type streptogramin, bound to the large ribosomal subunit thus interfering with translation process.",15851032,,,,,,"Tu D, Blaha G, Moore PB, Steitz TA. Structures of MLSBK antibiotics bound to mutated large ribosomal subunits provide a structural explanation for resistance. Cell. 2005 Apr 22;121(2):257-70. doi: 10.1016/j.cell.2005.02.005. PMID: 15851032.",,,,,,https://pubmed.ncbi.nlm.nih.gov/15851032/,,,,,,5674,Yes,No,Experimental,DB01669,https://go.drugbank.com/drugs/DB01669,
DBoRL412,Kanamycin B,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O,"InChI=1/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2",SKKLOUVUUNMCJE-UHFFFAOYNA-N,C18H37N5O10,Not Found,483.519,-7.167795246,11,15,6,3,A-site,"Kanamycin B, an aminoglycosides, show proclivity to bind with A-site of RNA and as a result of this bonding antiplasmid effect occurs on an IncB plasmid.",15865425,,,,,,"Thomas JR, Denap JCB, Wong ML,
Hergenrother PJ. The relationship between
aminoglycosides? RNA-binding proclivity
and their antiplasmid effect on an incb
plasmid. Biochemistry 44(18), 6800?6808
(2005).",,,,,,https://pubmed.ncbi.nlm.nih.gov/15865425/,,,,,,816,Yes,No,Experimental,DB13673,https://go.drugbank.com/drugs/DB13673,
DBoRL413,T4-MPyP ,"1-methyl-4-[7,12,17-tris(1-methylpyridin-1-ium-4-yl)-21,22,23,24-tetraazapentacyclo[16.2.1.1?,?.1?,??.1??,??]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]pyridin-1-ium tetrakis(4-methylbenzene-1-sulfonate)",C[n+]1ccc(-c2c3nc(c(-c4cc[n+](C)cc4)c4ccc([nH]4)c(-c4cc[n+](C)cc4)c4nc(c(-c5cc[n+](C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1,"InChI=1S/C44H37N8.4C7H8O3S/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;4*1-6-2-4-7(5-3-6)11(8,9)10/h5-28H,1-4H3,(H,45,46,47,48);4*2-5H,1H3,(H,8,9,10)/q+3;;;;/p-3/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;;;",AKZFRMNXBLFDNN-GVHKZQBISA-K,C72H66N8O12S4,Not Found,1363.6,-9.423182477,2,2,8,13,"tRNA, M1 RNA","T4-MPyP is a Porphyrins and porphines which bind strongly and specifically to tRNA, precursor tRNA and to M1 RNA and inhibit the ribonuclease P ribozyme reaction.",16005529,,,,,,"Hori Y, Rogert MC, Tanaka T, Kikuchi Y, Bichenkova EV, Wilton AN, Gbaj A, Douglas KT. Porphyrins and porphines bind strongly and specifically to tRNA, precursor tRNA and to M1 RNA and inhibit the ribonuclease P ribozyme reaction. Biochim Biophys Acta. 2005 Jul 25;1730(1):47-55. doi: ",,,,,,https://pubmed.ncbi.nlm.nih.gov/16005529/,,,,,,11979833,No,No,,,,
DBoRL414,Retricted Neomycin Derivative,"5,7-diamino-20-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-12-(aminomethyl)-2,9,11,22-tetraoxa-16-azatetracyclo[17.2.1.0?,?.0??,??]docosane-4,13,14,21-tetrol",NCC1OC(OC2C3CCNC4C(O)C(O)C(CN)OC4OC4C(N)CC(N)C(O)C4OC(O3)C2O)C(N)C(O)C1O,"InChI=1/C24H46N6O12/c25-4-9-14(32)16(34)11(29)22(38-9)41-20-8-1-2-30-12-17(35)15(33)10(5-26)39-23(12)40-19-7(28)3-6(27)13(31)21(19)42-24(37-8)18(20)36/h6-24,30-36H,1-5,25-29H2",WNXMUFDWFRHNTG-UHFFFAOYNA-N,C24H46N6O12,Not Found,610.662,-7.404060545,12,18,4,5,1ZZ5: 5'-[r(GUGGUGAAGUCGCGG)]-3' / 5'-[r(CGCGUCACACCACC)]-3',"Retricted neomycin derivative binds to ribosomal RNA (rRNA) at the decoding site and thereby interfere with the accuracy of protein synthesis, ultimately leading to bacterial cell death.",16037995,,,,,,"Zhao F, Zhao Q, Blount KF, Han Q, Tor Y, Hermann T. Molecular recognition of RNA by neomycin and a restricted neomycin derivative. Angew Chem Int Ed Engl. 2005 Aug 19;44(33):5329-34. doi: 10.1002/anie.200500903. PMID: 16037995.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16037995/,,,,,,Not Found,No,No,,,,
DBoRL415,Retricted Neomycin Derivative,"5,7-diamino-19-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-12-(aminomethyl)-2,9,11,21-tetraoxa-16-azatetracyclo[16.2.1.0?,?.0??,??]henicosane-4,13,14,20-tetrol",NCC1OC(OC2C3CNC4C(OC(CN)C(O)C4O)OC4C(N)CC(N)C(O)C4OC(O3)C2O)C(N)C(O)C1O,"InChI=1/C23H44N6O12/c24-2-7-13(31)15(33)10(28)21(36-7)40-19-9-4-29-11-16(34)14(32)8(3-25)37-22(11)39-18-6(27)1-5(26)12(30)20(18)41-23(38-9)17(19)35/h5-23,29-35H,1-4,24-28H2",DXIORKRGAWCDSD-UHFFFAOYNA-N,C23H44N6O12,Not Found,596.635,-7.464020284,12,18,4,5,decoding-site RNA,"Retricted neomycin derivative binds to ribosomal RNA (rRNA) at the decoding site and thereby interfere with the accuracy of protein synthesis, ultimately leading to bacterial cell death.",16037995,,,,,,"Zhao F, Zhao Q, Blount KF, Han Q, Tor Y, Hermann T. Molecular recognition of RNA by neomycin and a restricted neomycin derivative. Angew Chem Int Ed Engl. 2005 Aug 19;44(33):5329-34. doi: 10.1002/anie.200500903. PMID: 16037995.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16037995/,,,,,,21158777,No,No,,,,
DBoRL416,Coralyne,"2,3,10,11-tetramethoxy-5-methyl-6??-azatetraphen-6-ylium",COC1=CC2=C(C=C1OC)C1=CC3=C(C=C(OC)C(OC)=C3)C(C)=[N+]1C=C2,"InChI=1S/C22H22NO4/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18/h6-12H,1-5H3/q+1",GOEJQGGEIVSVOK-UHFFFAOYSA-N,C22H22NO4,"38989-38-7,1031265-39-0,38989-37-6",364.42,0.209811641,0,4,4,4,poly(A).poly(dT) ,"The compound binds poly(A).poly(dT) with unexpectedly high affinity (Ka >107 M1), and that the crescent shape of coralyne appears necessary for poly(A) binding. Coralyne strongly binds poly(A) with an association constant. For one particular ligand, at least six ligand molecules are required to stabilize the poly(A) self-structure at room temperature. This highly cooperative binding produces very sharp transitions between unstructured and structured poly(A) as a function of ligand concentration. Coralyne also binds poly(A) with an association constant. Binding of coralyne to poly(A) is predominantly enthalpically driven with a stoichiometry of one coralyne per four adenine bases. Poly(A) forms a coralyne dependent secondary structure with a melting temperature of 60? C.",16125177,,,,,,"Xing F, Song G, Ren J, Chaires JB, Qu X. Molecular recognition of nucleic acids: coralyne binds strongly to poly(A). FEBS Lett. 2005 Sep 12;579(22):5035-9. doi: 10.1016/j.febslet.2005.07.091. PMID: 16125177.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16125177/,,,,,,23307,No,No,,,,
DBoRL417,Coralyne,"2,3,10,11-tetramethoxy-5-methyl-6??-azatetraphen-6-ylium",COC1=CC2=C(C=C1OC)C1=CC3=C(C=C(OC)C(OC)=C3)C(C)=[N+]1C=C2,"InChI=1S/C22H22NO4/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18/h6-12H,1-5H3/q+1",GOEJQGGEIVSVOK-UHFFFAOYSA-N,C22H22NO4,"38989-38-7,1031265-39-0,38989-37-6",364.42,0.209811641,0,4,4,4,Poly(dA),"The compound binds poly(dA) with unexpectedly high affinity (Ka >107 M1), and that the crescent shape of coralyne appears necessary for poly(A) binding. Coralyne strongly binds poly(A) with an association constant. For one particular ligand, at least six ligand molecules are required to stabilize the poly(A) self-structure at room temperature. This highly cooperative binding produces very sharp transitions between unstructured and structured poly(A) as a function of ligand concentration. Coralyne also binds poly(A) with an association constant. Binding of coralyne to poly(A) is predominantly enthalpically driven with a stoichiometry of one coralyne per four adenine bases. Poly(A) forms a coralyne dependent secondary structure with a melting temperature of 60? C.",16125177,,,,,,"Xing F, Song G, Ren J, Chaires JB, Qu X. Molecular recognition of nucleic acids: coralyne binds strongly to poly(A). FEBS Lett. 2005 Sep 12;579(22):5035-9. doi: 10.1016/j.febslet.2005.07.091. PMID: 16125177.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16125177/,,,,,,23307,No,No,,,,
DBoRL418,DOS derivative 1,"4,6-diamino-3-({12-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]dodecyl}oxy)cyclohexane-1,2-diol",NC1CC(N)C(OCCCCCCCCCCCCOC2C(N)CC(N)C(O)C2O)C(O)C1O,"InChI=1/C24H50N4O6/c25-15-13-17(27)23(21(31)19(15)29)33-11-9-7-5-3-1-2-4-6-8-10-12-34-24-18(28)14-16(26)20(30)22(24)32/h15-24,29-32H,1-14,25-28H2",YSIMPMIRPUDNQD-UHFFFAOYNA-N,C24H50N4O6,Not Found,490.686,-1.362357335,8,10,15,2,RNA XXII,DOS derivative 1 is a size-specific ligands for RNA hairpin loops.,16144359,,,,,,"Size-Specific Ligands for RNA Hairpin Loops
Jason R. Thomas, Xianjun Liu, and Paul J. Hergenrother
Journal of the American Chemical Society 2005 127 (36), 12434-12435
DOI: 10.1021/ja051685b. PMID: 16144359.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16144359/,,,,,,Not Found,No,No,,,,
DBoRL419,DOS derivative 2,"4,6-diamino-3-({4-[2-(4-{[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]methyl}phenyl)ethyl]phenyl}methoxy)cyclohexane-1,2-diol",NC1CC(N)C(OCc2ccc(CCc3ccc(COC4C(N)CC(N)C(O)C4O)cc3)cc2)C(O)C1O,"InChI=1/C28H42N4O6/c29-19-11-21(31)27(25(35)23(19)33)37-13-17-7-3-15(4-8-17)1-2-16-5-9-18(10-6-16)14-38-28-22(32)12-20(30)24(34)26(28)36/h3-10,19-28,33-36H,1-2,11-14,29-32H2",IQOWYQGFGCTSFY-UHFFFAOYNA-N,C28H42N4O6,Not Found,530.666,-1.312641011,8,10,9,4,RNA XXII,DOS derivative 2 is a size-specific ligands for RNA hairpin loops.,16144359,,,,,,"Size-Specific Ligands for RNA Hairpin Loops
Jason R. Thomas, Xianjun Liu, and Paul J. Hergenrother
Journal of the American Chemical Society 2005 127 (36), 12434-12435
DOI: 10.1021/ja051685b. PMID: 16144359.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16144359/,,,,,,Not Found,No,No,,,,
DBoRL420,DOS derivative 3,,OC1[C@H](O)[C@H](OCC2=CC=C(C=C2)C2=CC=C(COC3C(O)[C@H](O)[C@@H](CC3[N]#N)[N]#N)C=C2)C(CC1[N]#N)[N]#N,"InChI=1S/C26H30N8O6/c27-31-17-9-19(33-29)25(23(37)21(17)35)39-11-13-1-5-15(6-2-13)16-7-3-14(4-8-16)12-40-26-20(34-30)10-18(32-28)22(36)24(26)38/h1-8,17-26,35-38H,9-12H2/t17-,18?,19?,20?,21-,22?,23?,24+,25?,26-/m1/s1",DABCTLNJZNIMRC-BIGSTKIBSA-N,C26H30N8O6,Not Found,550.576,,0,0,7,4,RNA XXII,DOS derivative 3 is a size-specific ligands for RNA hairpin loops.,16144359,,,,,,"Size-Specific Ligands for RNA Hairpin Loops
Jason R. Thomas, Xianjun Liu, and Paul J. Hergenrother
Journal of the American Chemical Society 2005 127 (36), 12434-12435
DOI: 10.1021/ja051685b. PMID: 16144359.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16144359/,,,,,,Not Found,No,No,,,,
DBoRL421,DOS derivative 4,"4,6-diamino-3-[(4-{2-[4-(hydroxymethyl)phenyl]ethyl}phenyl)methoxy]cyclohexane-1,2-diol",NC1CC(N)C(OCc2ccc(CCc3ccc(CO)cc3)cc2)C(O)C1O,"InChI=1/C22H30N2O4/c23-18-11-19(24)22(21(27)20(18)26)28-13-17-9-5-15(6-10-17)2-1-14-3-7-16(12-25)8-4-14/h3-10,18-22,25-27H,1-2,11-13,23-24H2",BEYYQNIBFGAMFF-UHFFFAOYNA-N,C22H30N2O4,Not Found,386.492,0.831133981,5,6,7,3,RNA XXII,DOS derivative 4 is a size-specific ligands for RNA hairpin loops.,16144359,,,,,,"Size-Specific Ligands for RNA Hairpin Loops
Jason R. Thomas, Xianjun Liu, and Paul J. Hergenrother
Journal of the American Chemical Society 2005 127 (36), 12434-12435
DOI: 10.1021/ja051685b. PMID: 16144359.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16144359/,,,,,,Not Found,No,No,,,,
DBoRL422,DOS,"4,6-diaminocyclohexane-1,2,3-triol",NC1CC(N)C(O)C(O)C1O,"InChI=1/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2",DTFAJAKTSMLKAT-UHFFFAOYNA-N,C6H14N2O3,Not Found,162.189,-3.305478564,5,5,0,1,RNA XXII,DOS is a size-specific ligands for RNA hairpin loops.,16144359,,,,,,"Size-Specific Ligands for RNA Hairpin Loops
Jason R. Thomas, Xianjun Liu, and Paul J. Hergenrother
Journal of the American Chemical Society 2005 127 (36), 12434-12435
DOI: 10.1021/ja051685b. PMID: 16144359.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16144359/,,,,,,98959,No,No,,,,
DBoRL423,Quinolinyl DOS paromomycin derivative 2,"3,5-diamino-2-{2-[(3-aminopropyl)amino]ethoxy}-6-({[7-(trifluoromethyl)quinolin-4-yl]sulfanyl}methoxy)cyclohexan-1-ol",NCCCNCCOC1C(N)CC(N)C(OCSc2ccnc3cc(C(F)(F)F)ccc23)C1O,"InChI=1/C22H32F3N5O3S/c23-22(24,25)13-2-3-14-17(10-13)30-7-4-18(14)34-12-33-21-16(28)11-15(27)20(19(21)31)32-9-8-29-6-1-5-26/h2-4,7,10,15-16,19-21,29,31H,1,5-6,8-9,11-12,26-28H2",IHRASRQJRXKRMB-UHFFFAOYNA-N,C22H32F3N5O3S,Not Found,503.59,-0.00985477,5,8,12,3,16s rRNA A SITE,"Quinolinyl DOS paromomycin derivative 2, a carbohydrate-free aminoglycoside analogue, bearing the 2-deoxystreptamine moiety were synthesized from asymmetrically protected 2-deoxystrepamine. The compound binds to bacterial 16S rRNA A-site & modify the functional activity.",16168642,,,,,,"Wang X, Migawa MT, Sannes-Lowery KA, Swayze EE. The synthesis and 16S A-site rRNA recognition of carbohydrate-free aminoglycosides. Bioorg Med Chem Lett. 2005 Nov 15;15(22):4919-22. doi: 10.1016/j.bmcl.2005.08.027. PMID: 16168642.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16168642/,,,,,,Not Found,No,No,,,,
DBoRL424,Quinolinyl DOS paromomycin derivative 3,"4,6-diamino-2-{2-[(3-aminopropyl)amino]ethoxy}-3-({[7-(trifluoromethyl)quinolin-4-yl]sulfanyl}methoxy)cyclohexan-1-ol",NCCCNCCOC1C(O)C(N)CC(N)C1OCSc1ccnc2cc(C(F)(F)F)ccc12,"InChI=1/C22H32F3N5O3S/c23-22(24,25)13-2-3-14-17(10-13)30-7-4-18(14)34-12-33-20-16(28)11-15(27)19(31)21(20)32-9-8-29-6-1-5-26/h2-4,7,10,15-16,19-21,29,31H,1,5-6,8-9,11-12,26-28H2",WYNYJAPRXMNOGA-UHFFFAOYNA-N,C22H32F3N5O3S,Not Found,503.59,-0.00985477,5,8,12,3,16s rRNA A SITE,"Quinolinyl DOS paromomycin derivative 3, a carbohydrate-free aminoglycoside analogue, bearing the 2-deoxystreptamine moiety were synthesized from asymmetrically protected 2-deoxystrepamine. The compound binds to bacterial 16S rRNA A-site & modify the functional activity.",16168642,,,,,,"Wang X, Migawa MT, Sannes-Lowery KA, Swayze EE. The synthesis and 16S A-site rRNA recognition of carbohydrate-free aminoglycosides. Bioorg Med Chem Lett. 2005 Nov 15;15(22):4919-22. doi: 10.1016/j.bmcl.2005.08.027. PMID: 16168642.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16168642/,,,,,,Not Found,No,No,,,,
DBoRL425,Kanamycin,"2-(aminomethyl)-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2",SBUJHOSQTJFQJX-UHFFFAOYNA-N,C18H36N4O11,Not Found,484.503,-7.060913449,11,15,6,3,16S-Rrna A Site,"Kanamycin, an aminoglycoside, contains the decoding A site of bacterial ribosomes as a complex. The number of rings and positive charges of the complex plays a role in the specific binding which leading to miscoding.",16214802,,,,,,"Fran?ois B, Russell RJ, Murray JB, Aboul-ela F, Masquida B, Vicens Q, Westhof E. Crystal structures of complexes between aminoglycosides and decoding A site oligonucleotides: role of the number of rings and positive charges in the specific binding leading to miscoding. Nucleic Acids Res. 2005 Oct 7;33(17):5677-90. doi: 10.1093/nar/gki862. PMID: 16214802; PMCID: PMC1251667.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16214802/,,,,,,815,Yes,Yes,Investigational Vet_approved,DB01172,https://go.drugbank.com/drugs/DB01172,
DBoRL426,Lividomycin A,"2-{[5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)-4-hydroxyoxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)CC3N)C2O)C(N)C(O)C1OC1OC(CO)C(O)C(O)C1O,"InChI=1/C29H55N5O18/c30-3-11-23(51-28-20(43)19(42)17(40)13(5-36)47-28)18(41)15(34)27(45-11)50-24-14(6-37)48-29(21(24)44)52-25-16(39)7(31)1-8(32)22(25)49-26-9(33)2-10(38)12(4-35)46-26/h7-29,35-44H,1-6,30-34H2",DBLVDAUGBTYDFR-UHFFFAOYNA-N,C29H55N5O18,Not Found,761.776,-9.388836914,15,23,12,5,16S-rRNA A Site,"Lividomycin A, an aminoglycoside, contains the decoding A site of bacterial ribosomes as a complex. The number of rings and positive charges of the complex plays a role in the specific binding which leading to miscoding. Lividomycin A bind with 16S-rRNA A Site & as a result protein translation interfere occurs.",16214802,,,,,,"Fran?ois B, Russell RJ, Murray JB, Aboul-ela F, Masquida B, Vicens Q, Westhof E. Crystal structures of complexes between aminoglycosides and decoding A site oligonucleotides: role of the number of rings and positive charges in the specific binding leading to miscoding. Nucleic Acids Res. 2005 Oct 7;33(17):5677-90. doi: 10.1093/nar/gki862. PMID: 16214802; PMCID: PMC1251667.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16214802/,,,,,,3940,Yes,No,Experimental,DB04728,https://go.drugbank.com/drugs/DB04728,
DBoRL427,Neamine,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]oxane-3,4-diol",C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)O)O)N,"InChI=1/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2",SYJXFKPQNSDJLI-UHFFFAOYNA-N,C12H26N4O6,Not Found,322.362,-5.290077803,8,10,3,2,16S-RRNA A-Site,"Neamine, an aminoglycoside, contains the decoding A site of bacterial ribosomes as a complex. The number of rings and positive charges of the complex plays a role in the specific binding which leading to miscoding. Neamine bind with 16S-rRNA A Site & as a result protein translation interfere occurs.",16214802,,,,,,"Fran?ois B, Russell RJ, Murray JB, Aboul-ela F, Masquida B, Vicens Q, Westhof E. Crystal structures of complexes between aminoglycosides and decoding A site oligonucleotides: role of the number of rings and positive charges in the specific binding leading to miscoding. Nucleic Acids Res. 2005 Oct 7;33(17):5677-90. doi: 10.1093/nar/gki862. PMID: 16214802; PMCID: PMC1251667.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16214802/,,,,,,413349,Yes,No,Experimental,DB04808,https://go.drugbank.com/drugs/DB04808,
DBoRL428,Neomycin,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2",PGBHMTALBVVCIT-UHFFFAOYNA-N,C23H46N6O13,Not Found,614.65,-8.415177746,13,19,9,4,16S-RRNA A-Site,"Neomycin, an aminoglycoside, contains the decoding A site of bacterial ribosomes as a complex. The number of rings and positive charges of the complex plays a role in the specific binding which leading to miscoding. Neomycin A bind with 16S-rRNA A Site & as a result protein translation interfere occurs.",16214802,,,,,,"Fran?ois B, Russell RJ, Murray JB, Aboul-ela F, Masquida B, Vicens Q, Westhof E. Crystal structures of complexes between aminoglycosides and decoding A site oligonucleotides: role of the number of rings and positive charges in the specific binding leading to miscoding. Nucleic Acids Res. 2005 Oct 7;33(17):5677-90. doi: 10.1093/nar/gki862. PMID: 16214802; PMCID: PMC1251667.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16214802/,,,,,,4454,Yes,Yes,,DB00452,https://go.drugbank.com/drugs/DB00452,
DBoRL429,Ribostamycin,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(O)C2O)C(N)C(O)C1O,"InChI=1/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2",NSKGQURZWSPSBC-UHFFFAOYNA-N,C17H34N4O10,Not Found,454.477,-6.430578507,10,14,6,3,16S-RRNA A-Site,"Ribostamycin, an aminoglycoside, contains the decoding A site of bacterial ribosomes as a complex. The number of rings and positive charges of the complex plays a role in the specific binding which leading to miscoding. Ribostamycin bind with 16S-rRNA A Site & as a result protein translation interfere occurs.",16214802,,,,,,"Fran?ois B, Russell RJ, Murray JB, Aboul-ela F, Masquida B, Vicens Q, Westhof E. Crystal structures of complexes between aminoglycosides and decoding A site oligonucleotides: role of the number of rings and positive charges in the specific binding leading to miscoding. Nucleic Acids Res. 2005 Oct 7;33(17):5677-90. doi: 10.1093/nar/gki862. PMID: 16214802; PMCID: PMC1251667.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16214802/,,,,,,5066,Yes,Yes,Experimental,DB03615,https://go.drugbank.com/drugs/DB03615,
DBoRL430,1-(3-Dimethylamino-propyl)-1H-benzoimidazol-2-ylamine,"1-[3-(dimethylamino)propyl]-1H-1,3-benzodiazol-2-amine",CN(C)CCCn1c(N)nc2ccccc21,"InChI=1S/C12H18N4/c1-15(2)8-5-9-16-11-7-4-3-6-10(11)14-12(16)13/h3-4,6-7H,5,8-9H2,1-2H3,(H2,13,14)",XFQGUCOQJCAODM-UHFFFAOYSA-N,C12H18N4,38652-80-1,218.304,1.417108377,1,3,4,2,29-mer IIA subdomain of HCV-IRES,1-(3-Dimethylamino-propyl)-1H-benzoimidazol-2-ylamine is a RNA-binding small molecule for the hepatitis C Virus (HCV). The compound binds with internal ribosome entry site (IRES) IIA subdomain & may interfere in translation process.,16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,761897,No,No,,,,
DBoRL431,1-(3-Pyrrolidin-1-ylpropyl)benzimidazol-2-amine,"1-[3-(pyrrolidin-1-yl)propyl]-1H-1,3-benzodiazol-2-amine",Nc1nc2ccccc2n1CCCN1CCCC1,"InChI=1S/C14H20N4/c15-14-16-12-6-1-2-7-13(12)18(14)11-5-10-17-8-3-4-9-17/h1-2,6-7H,3-5,8-11H2,(H2,15,16)",XEJWXWQLUUJLAC-UHFFFAOYSA-N,C14H20N4,Not Found,244.342,1.822905844,1,3,4,3,29-mer IIA subdomain of HCV-IRES,1-(3-Pyrrolidin-1-ylpropyl)benzimidazol-2-amine is a RNA-binding small molecule for the hepatitis C Virus (HCV). The compound binds with internal ribosome entry site (IRES) IIA subdomain & may interfere in translation process.,16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,15955943,No,No,,,,
DBoRL432,1-[3-(Dibutylamino)propyl]benzimidazol-2-amine,"1-[3-(dibutylamino)propyl]-1H-1,3-benzodiazol-2-amine",CCCCN(CCCC)CCCn1c(N)nc2ccccc21,"InChI=1S/C18H30N4/c1-3-5-12-21(13-6-4-2)14-9-15-22-17-11-8-7-10-16(17)20-18(22)19/h7-8,10-11H,3-6,9,12-15H2,1-2H3,(H2,19,20)",XDSQWGOKSJLINU-UHFFFAOYSA-N,C18H30N4,Not Found,302.466,4.064906406,1,3,10,2,29-mer IIA subdomain of HCV-IRES,1-[3-(Dibutylamino)propyl]benzimidazol-2-amine is a RNA-binding small molecule for the hepatitis C Virus (HCV). The compound binds with internal ribosome entry site (IRES) IIA subdomain & may interfere in translation process.,16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,15955945,No,No,,,,
DBoRL433,1-[3-(Dimethylamino)propyl]-4-methoxybenzimidazol-2-amine,"1-[3-(dimethylamino)propyl]-4-methoxy-1H-1,3-benzodiazol-2-amine",COc1cccc2c1nc(N)n2CCCN(C)C,"InChI=1S/C13H20N4O/c1-16(2)8-5-9-17-10-6-4-7-11(18-3)12(10)15-13(17)14/h4,6-7H,5,8-9H2,1-3H3,(H2,14,15)",MUQHONXLYOIJKS-UHFFFAOYSA-N,C13H20N4O,Not Found,248.33,1.259437111,1,4,5,2,29-mer IIA subdomain of HCV-IRES,1-[3-(Dimethylamino)propyl]-4-methoxybenzimidazol-2-amine is a RNA-binding small molecule for the hepatitis C Virus (HCV). The compound binds with internal ribosome entry site (IRES) IIA subdomain & may interfere in translation process.,16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,15955947,No,No,,,,
DBoRL434,1-[3-(Dimethylamino)propyl]-5-methoxybenzimidazol-2-amine,"1-[3-(dimethylamino)propyl]-5-methoxy-1H-1,3-benzodiazol-2-amine",COc1ccc2c(c1)nc(N)n2CCCN(C)C,"InChI=1S/C13H20N4O/c1-16(2)7-4-8-17-12-6-5-10(18-3)9-11(12)15-13(17)14/h5-6,9H,4,7-8H2,1-3H3,(H2,14,15)",ZFZMQWBKDVLKBB-UHFFFAOYSA-N,C13H20N4O,Not Found,248.33,1.259437111,1,4,5,2,29-mer IIA subdomain of HCV-IRES,1-[3-(Dimethylamino)propyl]-5-methoxybenzimidazol-2-amine is a RNA-binding small molecule for the hepatitis C Virus (HCV). The compound binds with internal ribosome entry site (IRES) IIA subdomain & may interfere in translation process.,16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,15955948,No,No,,,,
DBoRL435,1-[3-(Dimethylamino)propyl]-6-(3-methylbutoxy)benzimidazol-2-amine,"1-[3-(dimethylamino)propyl]-6-(3-methylbutoxy)-1H-1,3-benzodiazol-2-amine",CC(C)CCOc1ccc2nc(N)n(CCCN(C)C)c2c1,"InChI=1S/C17H28N4O/c1-13(2)8-11-22-14-6-7-15-16(12-14)21(17(18)19-15)10-5-9-20(3)4/h6-7,12-13H,5,8-11H2,1-4H3,(H2,18,19)",WWWIZHUERFKKRG-UHFFFAOYSA-N,C17H28N4O,Not Found,304.438,2.870355222,1,4,8,2,29-mer IIA subdomain of HCV-IRES,1-[3-(Dimethylamino)propyl]-6-(3-methylbutoxy)benzimidazol-2-amine is a RNA-binding small molecule for the hepatitis C Virus (HCV). The compound binds with internal ribosome entry site (IRES) IIA subdomain & may interfere in translation process.,16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,15955953,No,No,,,,
DBoRL436,1-[3-(Dimethylamino)propyl]-6-methoxybenzimidazol-2-amine,"1-[3-(dimethylamino)propyl]-6-methoxy-1H-1,3-benzodiazol-2-amine",COc1ccc2nc(N)n(CCCN(C)C)c2c1,"InChI=1S/C13H20N4O/c1-16(2)7-4-8-17-12-9-10(18-3)5-6-11(12)15-13(17)14/h5-6,9H,4,7-8H2,1-3H3,(H2,14,15)",DFLWHTNLBWYQGM-UHFFFAOYSA-N,C13H20N4O,Not Found,248.33,1.259437111,1,4,5,2,29-mer IIA subdomain of HCV-IRES,1-[3-(Dimethylamino)propyl]-6-methoxybenzimidazol-2-amine is a RNA-binding small molecule for the hepatitis C Virus (HCV). The compound binds with internal ribosome entry site (IRES) IIA subdomain & may interfere in translation process.,16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,15955946,No,No,,,,
DBoRL437,1-[3-(Dimethylamino)propyl]-7-methoxybenzimidazol-2-amine,"1-[3-(dimethylamino)propyl]-7-methoxy-1H-1,3-benzodiazol-2-amine",COc1cccc2nc(N)n(CCCN(C)C)c12,"InChI=1S/C13H20N4O/c1-16(2)8-5-9-17-12-10(15-13(17)14)6-4-7-11(12)18-3/h4,6-7H,5,8-9H2,1-3H3,(H2,14,15)",UPNACDYVUYTPCI-UHFFFAOYSA-N,C13H20N4O,Not Found,248.33,1.259437111,1,4,5,2,29-mer IIA subdomain of HCV-IRES,1-[3-(Dimethylamino)propyl]-7-methoxybenzimidazol-2-amine is a RNA-binding small molecule for the hepatitis C Virus (HCV). The compound binds with internal ribosome entry site (IRES) IIA subdomain & may interfere in translation process.,16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,15955949,No,No,,,,
DBoRL438,1-[3-(Morpholin-4-yl)propyl]-1H-benzimidazol-2-amine,"1-[3-(morpholin-4-yl)propyl]-1H-1,3-benzodiazol-2-amine",Nc1nc2ccccc2n1CCCN1CCOCC1,"InChI=1S/C14H20N4O/c15-14-16-12-4-1-2-5-13(12)18(14)7-3-6-17-8-10-19-11-9-17/h1-2,4-5H,3,6-11H2,(H2,15,16)",SQPXFDPMXKYBRF-UHFFFAOYSA-N,C14H20N4O,62553-50-8,260.341,1.198607925,1,4,4,3,29-mer IIA subdomain of HCV-IRES,1-[3-(Morpholin-4-yl)propyl]-1H-benzimidazol-2-amine is a RNA-binding small molecule for the hepatitis C Virus (HCV). The compound binds with internal ribosome entry site (IRES) IIA subdomain & may interfere in translation process.,16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,15955944,No,No,,,,
DBoRL439,"1H-Benzimidazole-1-propanamine, 2-amino-N,N-diethyl-","1-[3-(diethylamino)propyl]-1H-1,3-benzodiazol-2-amine",CCN(CC)CCCn1c(N)nc2ccccc21,"InChI=1S/C14H22N4/c1-3-17(4-2)10-7-11-18-13-9-6-5-8-12(13)16-14(18)15/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H2,15,16)",UVXISWNPIOAPIG-UHFFFAOYSA-N,C14H22N4,92494-07-0,246.358,2.130724286,1,3,6,2,29-mer IIA subdomain of HCV-IRES,"1H-Benzimidazole-1-propanamine, 2-amino-N,N-diethyl- is a RNA-binding small molecule for the hepatitis C Virus (HCV). The compound binds with internal ribosome entry site (IRES) IIA subdomain & may interfere in translation process.",16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,10514602,No,No,,,,
DBoRL440,1-Propyl-1H-benzoimidazol-2-ylamine,"1-propyl-1H-1,3-benzodiazol-2-amine",CCCn1c(N)nc2ccccc21,"InChI=1S/C10H13N3/c1-2-7-13-9-6-4-3-5-8(9)12-10(13)11/h3-6H,2,7H2,1H3,(H2,11,12)",MGKUHRRJQCKXOW-UHFFFAOYSA-N,C10H13N3,57667-50-2,175.235,2.217834465,1,2,2,2,29-mer IIA subdomain of HCV-IRES,1-Propyl-1H-benzoimidazol-2-ylamine is a RNA-binding small molecule for the hepatitis C Virus (HCV). The compound binds with internal ribosome entry site (IRES) IIA subdomain & may interfere in translation process.,16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,799602,No,No,,,,
DBoRL441,"2,3,7,9,10,11-Hexahydro-N2,N2,N10,N10-tetramethyl-1H-pyrano[2,3-g]pyrimido[1,2-a]benzimidazole-2,10-dimethanamine","({15-[(dimethylamino)methyl]-6-oxa-11,13,17-triazatetracyclo[8.7.0.0?,?.0??,??]heptadeca-1,7,9,11-tetraen-4-yl}methyl)dimethylamine",CN(C)CC1COc2ccc3nc4n(c3c2C1)CC(CN(C)C)CN4,"InChI=1/C19H29N5O/c1-22(2)9-13-7-15-17(25-12-13)6-5-16-18(15)24-11-14(10-23(3)4)8-20-19(24)21-16/h5-6,13-14H,7-12H2,1-4H3,(H,20,21)",FIPRRHYNEZXZGC-UHFFFAOYNA-N,C19H29N5O,Not Found,343.475,1.546496997,1,5,4,4,40-mer RNA model of IIA HCV-IRES,"2,3,7,9,10,11-Hexahydro-N2,N2,N10,N10-tetramethyl-1H-pyrano[2,3-g]pyrimido[1,2-a]benzimidazole-2,10-dimethanamine is a RNA-binding small molecule for the hepatitis C Virus (HCV). The compound binds with internal ribosome entry site (IRES) IIA subdomain & may interfere in translation process.",16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,135481189,No,No,,,,
DBoRL442,"3-[[3-[(Dimethylamino)methyl]-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-7-yl]oxy]-N,N-dimethylpropan-1-amine","[3-({12-[(dimethylamino)methyl]-1,8,10-triazatricyclo[7.4.0.0?,?]trideca-2,4,6,8-tetraen-4-yl}oxy)propyl]dimethylamine",CN(C)CCCOc1ccc2nc3n(c2c1)CC(CN(C)C)CN3,"InChI=1/C18H29N5O/c1-21(2)8-5-9-24-15-6-7-16-17(10-15)23-13-14(12-22(3)4)11-19-18(23)20-16/h6-7,10,14H,5,8-9,11-13H2,1-4H3,(H,19,20)",LPBVSKWLEBIYIY-UHFFFAOYNA-N,C18H29N5O,Not Found,331.464,1.462046616,1,5,7,3,40-mer RNA model of IIA HCV-IRES,"3-[[3-[(Dimethylamino)methyl]-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-7-yl]oxy]-N,N-dimethylpropan-1-amine is a RNA-binding small molecule for the hepatitis C Virus (HCV). The compound binds with internal ribosome entry site (IRES) IIA subdomain & may interfere in translation process.",16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,135433929,No,No,,,,
DBoRL443,6-[2-(Dimethylamino)ethoxy]-1-[3-(dimethylamino)propyl]benzimidazol-2-amine,"6-[2-(dimethylamino)ethoxy]-1-[3-(dimethylamino)propyl]-1H-1,3-benzodiazol-2-amine",CN(C)CCCn1c(N)nc2ccc(OCCN(C)C)cc21,"InChI=1S/C16H27N5O/c1-19(2)8-5-9-21-15-12-13(22-11-10-20(3)4)6-7-14(15)18-16(21)17/h6-7,12H,5,8-11H2,1-4H3,(H2,17,18)",FCJHSWMMHFFZRT-UHFFFAOYSA-N,C16H27N5O,Not Found,305.426,1.278081634,1,5,8,2,29-mer IIA subdomain of HCV-IRES,6-[2-(Dimethylamino)ethoxy]-1-[3-(dimethylamino)propyl]benzimidazol-2-amine is a RNA-binding small molecule for the hepatitis C Virus (HCV). The compound binds with internal ribosome entry site (IRES) IIA subdomain & may interfere in translation process.,16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,15955951,No,No,,,,
DBoRL444,6-[4-(Dimethylamino)butoxy]-1-[3-(dimethylamino)propyl]benzimidazol-2-amine,"6-[4-(dimethylamino)butoxy]-1-[3-(dimethylamino)propyl]-1H-1,3-benzodiazol-2-amine",CN(C)CCCCOc1ccc2nc(N)n(CCCN(C)C)c2c1,"InChI=1S/C18H31N5O/c1-21(2)10-5-6-13-24-15-8-9-16-17(14-15)23(18(19)20-16)12-7-11-22(3)4/h8-9,14H,5-7,10-13H2,1-4H3,(H2,19,20)",NLWYMEWIJWYVAV-UHFFFAOYSA-N,C18H31N5O,Not Found,333.48,1.855404044,1,5,10,2,29-mer IIA subdomain of HCV-IRES,6-[4-(Dimethylamino)butoxy]-1-[3-(dimethylamino)propyl]benzimidazol-2-amine is a RNA-binding small molecule for the hepatitis C Virus (HCV). The compound binds with internal ribosome entry site (IRES) IIA subdomain & may interfere in translation process.,16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,15955952,No,No,,,,
DBoRL445,"7-[(Dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydrofuro[3,2-e]benzimidazol-2-amine","11-[(dimethylamino)methyl]-3-[3-(dimethylamino)propyl]-10-oxa-3,5-diazatricyclo[7.3.0.0?,?]dodeca-1,4,6,8-tetraen-4-amine",CN(C)CCCn1c(N)nc2ccc3c(c21)CC(CN(C)C)O3,"InChI=1/C17H27N5O/c1-20(2)8-5-9-22-16-13-10-12(11-21(3)4)23-15(13)7-6-14(16)19-17(22)18/h6-7,12H,5,8-11H2,1-4H3,(H2,18,19)",PFHMRNGLRJXGSW-UHFFFAOYNA-N,C17H27N5O,Not Found,317.437,1.37773721,1,5,6,3,40-mer RNA model of IIA HCV-IRES,"7-[(Dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydrofuro[3,2-e]benzimidazol-2-amine is a RNA-binding small molecule for the hepatitis C Virus (HCV). The compound binds with internal ribosome entry site (IRES) IIA subdomain & may interfere in translation process.",16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,9948877,No,No,,,,
DBoRL446,Benzimidazole13ibis ,"({15-[(dimethylamino)methyl]-6-oxa-11,13-diazatetracyclo[8.7.0.0?,?.0??,??]heptadeca-1,7,9,11-tetraen-4-yl}methyl)dimethylamine",CN(C)CC1COc2ccc3c(c2C1)C1CC(CN(C)C)CNC1=N3,"InChI=1/C20H30N4O/c1-23(2)10-13-7-16-19-15-8-14(11-24(3)4)12-25-18(15)6-5-17(19)22-20(16)21-9-13/h5-6,13-14,16H,7-12H2,1-4H3,(H,21,22)",CLEPIXLVLMTDMZ-UHFFFAOYNA-N,C20H30N4O,Not Found,342.487,1.425343217,1,5,4,4,HCV IRES Domain II,Benzimidazole13ibis is a new class of RNA-binding small molecules for the hepatitis C Virus. The compound bind with internal ribosome entry site IIA subdomain & may interfere in translation process. ,16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,Not Found,No,No,,,,
DBoRL447,Benzimidazole3ibis,"6-[3-(dimethylamino)propoxy]-1-[3-(dimethylamino)propyl]-1H-1,3-benzodiazol-2-amine",CN(C)CCCOc1ccc2nc(N)n(CCCN(C)C)c2c1,"InChI=1S/C17H29N5O/c1-20(2)9-5-11-22-16-13-14(23-12-6-10-21(3)4)7-8-15(16)19-17(22)18/h7-8,13H,5-6,9-12H2,1-4H3,(H2,18,19)",HKZVWXQGBDMGCS-UHFFFAOYSA-N,C17H29N5O,Not Found,319.453,1.338041373,1,5,9,2,HCV IRES Domain II,Benzimidazole3ibis is a new class of RNA-binding small molecules for the hepatitis C Virus. The compound bind with internal ribosome entry site IIA subdomain & may interfere in translation process. ,16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,10471212,No,No,,,,
DBoRL448,Compound 32,"1-[3-(dimethylamino)propyl]-6-phenoxy-1H-1,3-benzodiazol-2-amine",CN(C)CCCn1c(N)nc2ccc(Oc3ccccc3)cc21,"InChI=1S/C18H22N4O/c1-21(2)11-6-12-22-17-13-15(9-10-16(17)20-18(22)19)23-14-7-4-3-5-8-14/h3-5,7-10,13H,6,11-12H2,1-2H3,(H2,19,20)",SAYVXCKPHRLHBH-UHFFFAOYSA-N,C18H22N4O,Not Found,310.401,2.91739556,1,3,6,3,29-mer IIA subdomain of HCV-IRES,Compound 32 is a RNA-binding small molecule for the hepatitis C Virus (HCV). The compound binds with internal ribosome entry site (IRES) IIA subdomain & may interfere in translation process.,16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,Not Found,No,No,,,,
DBoRL449,Compound 33,"8-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-1H,6H,7H,8H,9H-naphtho[1,2-d]imidazol-2-amine",CN(C)CCCn1c(N)nc2ccc3c(c21)CC(CN(C)C)CC3,"InChI=1/C19H31N5/c1-22(2)10-5-11-24-18-16-12-14(13-23(3)4)6-7-15(16)8-9-17(18)21-19(24)20/h8-9,14H,5-7,10-13H2,1-4H3,(H2,20,21)",PJKSJICZEPBFBZ-UHFFFAOYNA-N,C19H31N5,Not Found,329.492,2.506403327,1,4,6,3,40-mer RNA model of IIA HCV-IRES,Compound 33 is a RNA-binding small molecule for the hepatitis C Virus (HCV). The compound binds with internal ribosome entry site (IRES) IIA subdomain & may interfere in translation process.,16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,Not Found,No,No,,,,
DBoRL450,Compound 1,"1-[3-(dimethylamino)propyl]-1H-1,3-benzodiazol-2-amine",CN(C)CCCN1C(N)=NC2=CC=CC=C12,"InChI=1S/C12H18N4/c1-15(2)8-5-9-16-11-7-4-3-6-10(11)14-12(16)13/h3-4,6-7H,5,8-9H2,1-2H3,(H2,13,14)",XFQGUCOQJCAODM-UHFFFAOYSA-N,C12H18N4,38652-80-1,218.304,1.417108377,1,3,4,2,29-mer IIA subdomain of HCV-IRES: 5'-[GGAGGAACUACUGGAGACGUGCAGCCUCC]-3',"This is an RNA-Binding small molecule which interacts with the target sequence of Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA Subdomain. The molecule has sub-micromolar affinity towards the (IRES) IIA Subdomain. HCV-IRES bound to the 40S ribosomal subunit shows that stem II induces a conformation change in the 40S ribosomal subunit and positions the single-stranded coding RNA into the decoding site. If HCV-IRES blocked due to RNA-Binding small molecule, then HCV-IRES is unable to bind with 40S ribosomal subunit & translation halted.",16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,761897,No,No,,,,
DBoRL451,Compound  2a,"1-propyl-1H-1,3-benzodiazol-2-amine",[H]CCCN1C(N)=NC2=CC=CC=C12,"InChI=1S/C10H13N3/c1-2-7-13-9-6-4-3-5-8(9)12-10(13)11/h3-6H,2,7H2,1H3,(H2,11,12)",MGKUHRRJQCKXOW-UHFFFAOYSA-N,C10H13N3,57667-50-2,175.235,2.217834465,1,2,2,2,29-mer IIA subdomain of HCV-IRES: 5'-[GGAGGAACUACUGGAGACGUGCAGCCUCC]-3',"This is an RNA-Binding small molecule which interacts with the target sequence of Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA Subdomain. The molecule has sub-micromolar affinity towards the (IRES) IIA Subdomain. HCV-IRES bound to the 40S ribosomal subunit shows that stem II induces a conformation change in the 40S ribosomal subunit and positions the single-stranded coding RNA into the decoding site. If HCV-IRES blocked due to RNA-Binding small molecule, then HCV-IRES is unable to bind with 40S ribosomal subunit & translation halted.",16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,799602,No,No,,,,
DBoRL452,Compound  2b,"1-[3-(pyrrolidin-1-yl)propyl]-1H-1,3-benzodiazol-2-amine",NC1=NC2=CC=CC=C2N1CCCN1CCCC1,"InChI=1S/C14H20N4/c15-14-16-12-6-1-2-7-13(12)18(14)11-5-10-17-8-3-4-9-17/h1-2,6-7H,3-5,8-11H2,(H2,15,16)",XEJWXWQLUUJLAC-UHFFFAOYSA-N,C14H20N4,Not Found,244.342,1.822905844,1,3,4,3,29-mer IIA subdomain of HCV-IRES: 5'-[GGAGGAACUACUGGAGACGUGCAGCCUCC]-3',"This is an RNA-Binding small molecule which interacts with the target sequence of Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA Subdomain. The molecule has sub-micromolar affinity towards the (IRES) IIA Subdomain. HCV-IRES bound to the 40S ribosomal subunit shows that stem II induces a conformation change in the 40S ribosomal subunit and positions the single-stranded coding RNA into the decoding site. If HCV-IRES blocked due to RNA-Binding small molecule, then HCV-IRES is unable to bind with 40S ribosomal subunit & translation halted.",16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,15955943,No,No,,,,
DBoRL453,Compound 2c,"1-[3-(diethylamino)propyl]-1H-1,3-benzodiazol-2-amine",CCN(CC)CCCN1C(N)=NC2=CC=CC=C12,"InChI=1S/C14H22N4/c1-3-17(4-2)10-7-11-18-13-9-6-5-8-12(13)16-14(18)15/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H2,15,16)",UVXISWNPIOAPIG-UHFFFAOYSA-N,C14H22N4,92494-07-0,246.358,2.130724286,1,3,6,2,29-mer IIA subdomain of HCV-IRES: 5'-[GGAGGAACUACUGGAGACGUGCAGCCUCC]-3',"This is an RNA-Binding small molecule which interacts with the target sequence of Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA Subdomain. The molecule has sub-micromolar affinity towards the (IRES) IIA Subdomain. HCV-IRES bound to the 40S ribosomal subunit shows that stem II induces a conformation change in the 40S ribosomal subunit and positions the single-stranded coding RNA into the decoding site. If HCV-IRES blocked due to RNA-Binding small molecule, then HCV-IRES is unable to bind with 40S ribosomal subunit & translation halted.",16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,10514602,No,No,,,,
DBoRL454,Compound 2d,"1-[3-(morpholin-4-yl)propyl]-1H-1,3-benzodiazol-2-amine",NC1=NC2=CC=CC=C2N1CCCN1CCOCC1,"InChI=1S/C14H20N4O/c15-14-16-12-4-1-2-5-13(12)18(14)7-3-6-17-8-10-19-11-9-17/h1-2,4-5H,3,6-11H2,(H2,15,16)",SQPXFDPMXKYBRF-UHFFFAOYSA-N,C14H20N4O,62553-50-8,260.341,1.198607925,1,4,4,3,29-mer IIA subdomain of HCV-IRES: 5'-[GGAGGAACUACUGGAGACGUGCAGCCUCC]-3',"This is an RNA-Binding small molecule which interacts with the target sequence of Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA Subdomain. The molecule has sub-micromolar affinity towards the (IRES) IIA Subdomain. HCV-IRES bound to the 40S ribosomal subunit shows that stem II induces a conformation change in the 40S ribosomal subunit and positions the single-stranded coding RNA into the decoding site. If HCV-IRES blocked due to RNA-Binding small molecule, then HCV-IRES is unable to bind with 40S ribosomal subunit & translation halted.",16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,15955944,No,No,,,,
DBoRL455,Compound 2e,"1-[3-(dibutylamino)propyl]-1H-1,3-benzodiazol-2-amine",CCCCN(CCCC)CCCN1C(N)=NC2=CC=CC=C12,"InChI=1S/C18H30N4/c1-3-5-12-21(13-6-4-2)14-9-15-22-17-11-8-7-10-16(17)20-18(22)19/h7-8,10-11H,3-6,9,12-15H2,1-2H3,(H2,19,20)",XDSQWGOKSJLINU-UHFFFAOYSA-N,C18H30N4,Not Found,302.466,4.064906406,1,3,10,2,29-mer IIA subdomain of HCV-IRES: 5'-[GGAGGAACUACUGGAGACGUGCAGCCUCC]-3',"This is an RNA-Binding small molecule which interacts with the target sequence of Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA Subdomain. The molecule has sub-micromolar affinity towards the (IRES) IIA Subdomain. HCV-IRES bound to the 40S ribosomal subunit shows that stem II induces a conformation change in the 40S ribosomal subunit and positions the single-stranded coding RNA into the decoding site. If HCV-IRES blocked due to RNA-Binding small molecule, then HCV-IRES is unable to bind with 40S ribosomal subunit & translation halted.",16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,15955945,No,No,,,,
DBoRL456,Compound 2f,"1-[3-(dimethylamino)propyl]-6-methoxy-1H-1,3-benzodiazol-2-amine",COC1=CC=C2N=C(N)N(CCCN(C)C)C2=C1,"InChI=1S/C13H20N4O/c1-16(2)7-4-8-17-12-9-10(18-3)5-6-11(12)15-13(17)14/h5-6,9H,4,7-8H2,1-3H3,(H2,14,15)",DFLWHTNLBWYQGM-UHFFFAOYSA-N,C13H20N4O,Not Found,248.33,1.259437111,1,4,5,2,29-mer IIA subdomain of HCV-IRES: 5'-[GGAGGAACUACUGGAGACGUGCAGCCUCC]-3',"This is an RNA-Binding small molecule which interacts with the target sequence of Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA Subdomain. The molecule has sub-micromolar affinity towards the (IRES) IIA Subdomain. HCV-IRES bound to the 40S ribosomal subunit shows that stem II induces a conformation change in the 40S ribosomal subunit and positions the single-stranded coding RNA into the decoding site. If HCV-IRES blocked due to RNA-Binding small molecule, then HCV-IRES is unable to bind with 40S ribosomal subunit & translation halted.",16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,15955946,No,No,,,,
DBoRL457,Compound 2g,"1-[3-(dimethylamino)propyl]-4-methoxy-1H-1,3-benzodiazol-2-amine",COC1=C2N=C(N)N(CCCN(C)C)C2=CC=C1,"InChI=1S/C13H20N4O/c1-16(2)8-5-9-17-10-6-4-7-11(18-3)12(10)15-13(17)14/h4,6-7H,5,8-9H2,1-3H3,(H2,14,15)",MUQHONXLYOIJKS-UHFFFAOYSA-N,C13H20N4O,Not Found,248.33,1.259437111,1,4,5,2,29-mer IIA subdomain of HCV-IRES: 5'-[GGAGGAACUACUGGAGACGUGCAGCCUCC]-3',"This is an RNA-Binding small molecule which interacts with the target sequence of Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA Subdomain. The molecule has sub-micromolar affinity towards the (IRES) IIA Subdomain. HCV-IRES bound to the 40S ribosomal subunit shows that stem II induces a conformation change in the 40S ribosomal subunit and positions the single-stranded coding RNA into the decoding site. If HCV-IRES blocked due to RNA-Binding small molecule, then HCV-IRES is unable to bind with 40S ribosomal subunit & translation halted.",16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,15955947,No,No,,,,
DBoRL458,Compound 2h,"1-[3-(dimethylamino)propyl]-5-methoxy-1H-1,3-benzodiazol-2-amine",COC1=CC=C2N(CCCN(C)C)C(N)=NC2=C1,"InChI=1S/C13H20N4O/c1-16(2)7-4-8-17-12-6-5-10(18-3)9-11(12)15-13(17)14/h5-6,9H,4,7-8H2,1-3H3,(H2,14,15)",ZFZMQWBKDVLKBB-UHFFFAOYSA-N,C13H20N4O,Not Found,248.33,1.259437111,1,4,5,2,29-mer IIA subdomain of HCV-IRES: 5'-[GGAGGAACUACUGGAGACGUGCAGCCUCC]-3',"This is an RNA-Binding small molecule which interacts with the target sequence of Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA Subdomain. The molecule has sub-micromolar affinity towards the (IRES) IIA Subdomain. HCV-IRES bound to the 40S ribosomal subunit shows that stem II induces a conformation change in the 40S ribosomal subunit and positions the single-stranded coding RNA into the decoding site. If HCV-IRES blocked due to RNA-Binding small molecule, then HCV-IRES is unable to bind with 40S ribosomal subunit & translation halted.",16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,15955948,No,No,,,,
DBoRL459,Compound 2i,"1-[3-(dimethylamino)propyl]-7-methoxy-1H-1,3-benzodiazol-2-amine",COC1=C2N(CCCN(C)C)C(N)=NC2=CC=C1,"InChI=1S/C13H20N4O/c1-16(2)8-5-9-17-12-10(15-13(17)14)6-4-7-11(12)18-3/h4,6-7H,5,8-9H2,1-3H3,(H2,14,15)",UPNACDYVUYTPCI-UHFFFAOYSA-N,C13H20N4O,Not Found,248.33,1.259437111,1,4,5,2,29-mer IIA subdomain of HCV-IRES: 5'-[GGAGGAACUACUGGAGACGUGCAGCCUCC]-3',"This is an RNA-Binding small molecule which interacts with the target sequence of Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA Subdomain. The molecule has sub-micromolar affinity towards the (IRES) IIA Subdomain. HCV-IRES bound to the 40S ribosomal subunit shows that stem II induces a conformation change in the 40S ribosomal subunit and positions the single-stranded coding RNA into the decoding site. If HCV-IRES blocked due to RNA-Binding small molecule, then HCV-IRES is unable to bind with 40S ribosomal subunit & translation halted.",16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,15955949,No,No,,,,
DBoRL460,Compound 2j,"1-[3-(dimethylamino)propyl]-6-phenoxy-1H-1,3-benzodiazol-2-amine",CN(C)CCCN1C(N)=NC2=CC=C(OC3=CC=CC=C3)C=C12,"InChI=1S/C18H22N4O/c1-21(2)11-6-12-22-17-13-15(9-10-16(17)20-18(22)19)23-14-7-4-3-5-8-14/h3-5,7-10,13H,6,11-12H2,1-2H3,(H2,19,20)",SAYVXCKPHRLHBH-UHFFFAOYSA-N,C18H22N4O,Not Found,310.401,2.91739556,1,3,6,3,29-mer IIA subdomain of HCV-IRES: 5'-[GGAGGAACUACUGGAGACGUGCAGCCUCC]-3',"This is an RNA-Binding small molecule which interacts with the target sequence of Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA Subdomain. The molecule has sub-micromolar affinity towards the (IRES) IIA Subdomain. HCV-IRES bound to the 40S ribosomal subunit shows that stem II induces a conformation change in the 40S ribosomal subunit and positions the single-stranded coding RNA into the decoding site. If HCV-IRES blocked due to RNA-Binding small molecule, then HCV-IRES is unable to bind with 40S ribosomal subunit & translation halted.",16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,Not Found,No,No,,,,
DBoRL461,Compound 3,"6-[3-(dimethylamino)propoxy]-1-[3-(dimethylamino)propyl]-1H-1,3-benzodiazol-2-amine",CN(C)CCCOC1=CC=C2N=C(N)N(CCCN(C)C)C2=C1,"InChI=1S/C17H29N5O/c1-20(2)9-5-11-22-16-13-14(23-12-6-10-21(3)4)7-8-15(16)19-17(22)18/h7-8,13H,5-6,9-12H2,1-4H3,(H2,18,19)",HKZVWXQGBDMGCS-UHFFFAOYSA-N,C17H29N5O,Not Found,319.453,1.338041373,1,5,9,2,29-mer IIA subdomain of HCV-IRES: 5'-[GGAGGAACUACUGGAGACGUGCAGCCUCC]-3',"This is an RNA-Binding small molecule which interacts with the target sequence of Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA Subdomain. The molecule has sub-micromolar affinity towards the (IRES) IIA Subdomain. HCV-IRES bound to the 40S ribosomal subunit shows that stem II induces a conformation change in the 40S ribosomal subunit and positions the single-stranded coding RNA into the decoding site. If HCV-IRES blocked due to RNA-Binding small molecule, then HCV-IRES is unable to bind with 40S ribosomal subunit & translation halted.",16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,10471212,No,No,,,,
DBoRL462,Compound 4,"6-[2-(dimethylamino)ethoxy]-1-[3-(dimethylamino)propyl]-1H-1,3-benzodiazol-2-amine",CN(C)CCCN1C(N)=NC2=CC=C(OCCN(C)C)C=C12,"InChI=1S/C16H27N5O/c1-19(2)8-5-9-21-15-12-13(22-11-10-20(3)4)6-7-14(15)18-16(21)17/h6-7,12H,5,8-11H2,1-4H3,(H2,17,18)",FCJHSWMMHFFZRT-UHFFFAOYSA-N,C16H27N5O,Not Found,305.426,1.278081634,1,5,8,2,29-mer IIA subdomain of HCV-IRES: 5'-[GGAGGAACUACUGGAGACGUGCAGCCUCC]-3',"This is an RNA-Binding small molecule which interacts with the target sequence of Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA Subdomain. The molecule has sub-micromolar affinity towards the (IRES) IIA Subdomain. HCV-IRES bound to the 40S ribosomal subunit shows that stem II induces a conformation change in the 40S ribosomal subunit and positions the single-stranded coding RNA into the decoding site. If HCV-IRES blocked due to RNA-Binding small molecule, then HCV-IRES is unable to bind with 40S ribosomal subunit & translation halted.",16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,15955951,No,No,,,,
DBoRL463,Compound 5,"6-[4-(dimethylamino)butoxy]-1-[3-(dimethylamino)propyl]-1H-1,3-benzodiazol-2-amine",CN(C)CCCCOC1=CC=C2N=C(N)N(CCCN(C)C)C2=C1,"InChI=1S/C18H31N5O/c1-21(2)10-5-6-13-24-15-8-9-16-17(14-15)23(18(19)20-16)12-7-11-22(3)4/h8-9,14H,5-7,10-13H2,1-4H3,(H2,19,20)",NLWYMEWIJWYVAV-UHFFFAOYSA-N,C18H31N5O,Not Found,333.48,1.855404044,1,5,10,2,29-mer IIA subdomain of HCV-IRES: 5'-[GGAGGAACUACUGGAGACGUGCAGCCUCC]-3',"This is an RNA-Binding small molecule which interacts with the target sequence of Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA Subdomain. The molecule has sub-micromolar affinity towards the (IRES) IIA Subdomain. HCV-IRES bound to the 40S ribosomal subunit shows that stem II induces a conformation change in the 40S ribosomal subunit and positions the single-stranded coding RNA into the decoding site. If HCV-IRES blocked due to RNA-Binding small molecule, then HCV-IRES is unable to bind with 40S ribosomal subunit & translation halted.",16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,15955952,No,No,,,,
DBoRL464,Compound 6,"1-[3-(dimethylamino)propyl]-6-(3-methylbutoxy)-1H-1,3-benzodiazol-2-amine",CC(C)CCOC1=CC=C2N=C(N)N(CCCN(C)C)C2=C1,"InChI=1S/C17H28N4O/c1-13(2)8-11-22-14-6-7-15-16(12-14)21(17(18)19-15)10-5-9-20(3)4/h6-7,12-13H,5,8-11H2,1-4H3,(H2,18,19)",WWWIZHUERFKKRG-UHFFFAOYSA-N,C17H28N4O,Not Found,304.438,2.870355222,1,4,8,2,29-mer IIA subdomain of HCV-IRES: 5'-[GGAGGAACUACUGGAGACGUGCAGCCUCC]-3',"This is an RNA-Binding small molecule which interacts with the target sequence of Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA Subdomain. The molecule has sub-micromolar affinity towards the (IRES) IIA Subdomain. HCV-IRES bound to the 40S ribosomal subunit shows that stem II induces a conformation change in the 40S ribosomal subunit and positions the single-stranded coding RNA into the decoding site. If HCV-IRES blocked due to RNA-Binding small molecule, then HCV-IRES is unable to bind with 40S ribosomal subunit & translation halted.",16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,15955953,No,No,,,,
DBoRL465,Compound 1,"1-[3-(dimethylamino)propyl]-1H-1,3-benzodiazol-2-amine",CN(C)CCCN1C(N)=NC2=CC=CC=C12,"InChI=1S/C12H18N4/c1-15(2)8-5-9-16-11-7-4-3-6-10(11)14-12(16)13/h3-4,6-7H,5,8-9H2,1-2H3,(H2,13,14)",XFQGUCOQJCAODM-UHFFFAOYSA-N,C12H18N4,38652-80-1,218.304,1.417108377,1,3,4,2,40-mer RNA model of IIA HCV-IRES: 5'-[GAGGAACUACUGUCUUCACCGAGAGGUGUCGUGCAGCCUC]-3',"This is an RNA-Binding small molecule which interacts with the target sequence of Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA Subdomain. The molecule has sub-micromolar affinity towards the (IRES) IIA Subdomain. HCV-IRES bound to the 40S ribosomal subunit shows that stem II induces a conformation change in the 40S ribosomal subunit and positions the single-stranded coding RNA into the decoding site. If HCV-IRES blocked due to RNA-Binding small molecule, then HCV-IRES is unable to bind with 40S ribosomal subunit & translation halted.",16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,761897,No,No,,,,
DBoRL466,Compound 3,"6-[3-(dimethylamino)propoxy]-1-[3-(dimethylamino)propyl]-1H-1,3-benzodiazol-2-amine",CN(C)CCCOC1=CC=C2N=C(N)N(CCCN(C)C)C2=C1,"InChI=1S/C17H29N5O/c1-20(2)9-5-11-22-16-13-14(23-12-6-10-21(3)4)7-8-15(16)19-17(22)18/h7-8,13H,5-6,9-12H2,1-4H3,(H2,18,19)",HKZVWXQGBDMGCS-UHFFFAOYSA-N,C17H29N5O,Not Found,319.453,1.338041373,1,5,9,2,40-mer RNA model of IIA HCV-IRES: 5'-[GAGGAACUACUGUCUUCACCGAGAGGUGUCGUGCAGCCUC]-3',"This is an RNA-Binding small molecule which interacts with the target sequence of Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA Subdomain. The molecule has sub-micromolar affinity towards the (IRES) IIA Subdomain. HCV-IRES bound to the 40S ribosomal subunit shows that stem II induces a conformation change in the 40S ribosomal subunit and positions the single-stranded coding RNA into the decoding site. If HCV-IRES blocked due to RNA-Binding small molecule, then HCV-IRES is unable to bind with 40S ribosomal subunit & translation halted.",16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,10471212,No,No,,,,
DBoRL467,Compound 10,"[3-({12-[(dimethylamino)methyl]-1,8,10-triazatricyclo[7.4.0.0?,?]trideca-2,4,6,8-tetraen-4-yl}oxy)propyl]dimethylamine",CN(C)CCCOC1=CC=C2N=C3NCC(CN(C)C)CN3C2=C1,"InChI=1/C18H29N5O/c1-21(2)8-5-9-24-15-6-7-16-17(10-15)23-13-14(12-22(3)4)11-19-18(23)20-16/h6-7,10,14H,5,8-9,11-13H2,1-4H3,(H,19,20)",LPBVSKWLEBIYIY-UHFFFAOYNA-N,C18H29N5O,Not Found,331.464,1.462046616,1,5,7,3,40-mer RNA model of IIA HCV-IRES: 5'-[GAGGAACUACUGUCUUCACCGAGAGGUGUCGUGCAGCCUC]-3',"This is an RNA-Binding small molecule which interacts with the target sequence of Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA Subdomain. The molecule has sub-micromolar affinity towards the (IRES) IIA Subdomain. HCV-IRES bound to the 40S ribosomal subunit shows that stem II induces a conformation change in the 40S ribosomal subunit and positions the single-stranded coding RNA into the decoding site. If HCV-IRES blocked due to RNA-Binding small molecule, then HCV-IRES is unable to bind with 40S ribosomal subunit & translation halted.",16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,135433929,No,No,,,,
DBoRL468,Compound 11,"11-[(dimethylamino)methyl]-3-[3-(dimethylamino)propyl]-10-oxa-3,5-diazatricyclo[7.3.0.0?,?]dodeca-1,4,6,8-tetraen-4-amine",CN(C)CCCN1C(N)=NC2=CC=C3OC(CN(C)C)CC3=C12,"InChI=1/C17H27N5O/c1-20(2)8-5-9-22-16-13-10-12(11-21(3)4)23-15(13)7-6-14(16)19-17(22)18/h6-7,12H,5,8-11H2,1-4H3,(H2,18,19)",PFHMRNGLRJXGSW-UHFFFAOYNA-N,C17H27N5O,Not Found,317.437,1.37773721,1,5,6,3,40-mer RNA model of IIA HCV-IRES: 5'-[GAGGAACUACUGUCUUCACCGAGAGGUGUCGUGCAGCCUC]-3',"This is an RNA-Binding small molecule which interacts with the target sequence of Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA Subdomain. The molecule has sub-micromolar affinity towards the (IRES) IIA Subdomain. HCV-IRES bound to the 40S ribosomal subunit shows that stem II induces a conformation change in the 40S ribosomal subunit and positions the single-stranded coding RNA into the decoding site. If HCV-IRES blocked due to RNA-Binding small molecule, then HCV-IRES is unable to bind with 40S ribosomal subunit & translation halted.",16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,9948877,No,No,,,,
DBoRL469,Compound 12,"8-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-1H,6H,7H,8H,9H-naphtho[1,2-d]imidazol-2-amine",CN(C)CCCN1C(N)=NC2=CC=C3CCC(CN(C)C)CC3=C12,"InChI=1/C19H31N5/c1-22(2)10-5-11-24-18-16-12-14(13-23(3)4)6-7-15(16)8-9-17(18)21-19(24)20/h8-9,14H,5-7,10-13H2,1-4H3,(H2,20,21)",PJKSJICZEPBFBZ-UHFFFAOYNA-N,C19H31N5,Not Found,329.492,2.506403327,1,4,6,3,40-mer RNA model of IIA HCV-IRES: 5'-[GAGGAACUACUGUCUUCACCGAGAGGUGUCGUGCAGCCUC]-3',"This is an RNA-Binding small molecule which interacts with the target sequence of Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA Subdomain. The molecule has sub-micromolar affinity towards the (IRES) IIA Subdomain. HCV-IRES bound to the 40S ribosomal subunit shows that stem II induces a conformation change in the 40S ribosomal subunit and positions the single-stranded coding RNA into the decoding site. If HCV-IRES blocked due to RNA-Binding small molecule, then HCV-IRES is unable to bind with 40S ribosomal subunit & translation halted.",16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,Not Found,No,No,,,,
DBoRL470,Compound 13,"({4-[(dimethylamino)methyl]-6-oxa-11,13,17-triazatetracyclo[8.7.0.0?,?.0??,??]heptadeca-1,7,9,11-tetraen-15-yl}methyl)dimethylamine",CN(C)CC1CNC2=NC3=CC=C4OCC(CN(C)C)CC4=C3N2C1,"InChI=1/C19H29N5O/c1-22(2)9-13-7-15-17(25-12-13)6-5-16-18(15)24-11-14(10-23(3)4)8-20-19(24)21-16/h5-6,13-14H,7-12H2,1-4H3,(H,20,21)",FIPRRHYNEZXZGC-UHFFFAOYNA-N,C19H29N5O,Not Found,343.475,1.546496997,1,5,4,4,40-mer RNA model of IIA HCV-IRES: 5'-[GAGGAACUACUGUCUUCACCGAGAGGUGUCGUGCAGCCUC]-3',"This is an RNA-Binding small molecule which interacts with the target sequence of Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA Subdomain. The molecule has sub-micromolar affinity towards the (IRES) IIA Subdomain. HCV-IRES bound to the 40S ribosomal subunit shows that stem II induces a conformation change in the 40S ribosomal subunit and positions the single-stranded coding RNA into the decoding site. If HCV-IRES blocked due to RNA-Binding small molecule, then HCV-IRES is unable to bind with 40S ribosomal subunit & translation halted.",16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,135481189,No,No,,,,
DBoRL471,Diamino piperidinyl triazine 1,"N-(4-{[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino}-2-hydroxyphenyl)-4-chlorobenzamide",NC1CC(N)CN(c2nc(Nc3ccc(NC(=O)c4ccc(Cl)cc4)c(O)c3)nc(N3CC(N)CC(N)C3)n2)C1,"InChI=1/C26H34ClN11O2/c27-15-3-1-14(2-4-15)23(40)33-21-6-5-20(9-22(21)39)32-24-34-25(37-10-16(28)7-17(29)11-37)36-26(35-24)38-12-18(30)8-19(31)13-38/h1-6,9,16-19,39H,7-8,10-13,28-31H2,(H,33,40)(H,32,34,35,36)",CXAZTLLCKPSOCJ-UHFFFAOYNA-N,C26H34ClN11O2,Not Found,568.08,0.657817798,7,12,6,5,16s rRNA A SITE,"Diamino piperidinyl triazine 1, an aminoglycoside mimetic, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",16304156,,,,,,"Zhou Y, Gregor VE, Sun Z, Ayida BK, Winters GC, Murphy D, Simonsen KB, Vourloumis D, Fish S, Froelich JM, Wall D, Hermann T. Structure-guided discovery of novel aminoglycoside mimetics as antibacterial translation inhibitors. Antimicrob Agents Chemother. 2005 Dec;49(12):4942-9. doi: 10.1128/AAC.49.12.4942-4949.2005. PMID: 16304156; PMCID: PMC1315978.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16304156/,,,,,,Not Found,No,No,,,,
DBoRL472,Diamino piperidinyl triazine 2,"N-(4-{[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino}phenyl)-3-hydroxynaphthalene-2-carboxamide",NC1CC(N)CN(c2nc(Nc3ccc(NC(=O)c4cc5ccccc5cc4O)cc3)nc(N3CC(N)CC(N)C3)n2)C1,"InChI=1/C30H37N11O2/c31-19-11-20(32)14-40(13-19)29-37-28(38-30(39-29)41-15-21(33)12-22(34)16-41)36-24-7-5-23(6-8-24)35-27(43)25-9-17-3-1-2-4-18(17)10-26(25)42/h1-10,19-22,42H,11-16,31-34H2,(H,35,43)(H,36,37,38,39)",WLBBXHGWINDTNY-UHFFFAOYNA-N,C30H37N11O2,Not Found,583.701,1.012774025,7,12,6,6,16s rRNA A SITE,"Diamino piperidinyl triazine 2, an aminoglycoside mimetic, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",16304156,,,,,,"Zhou Y, Gregor VE, Sun Z, Ayida BK, Winters GC, Murphy D, Simonsen KB, Vourloumis D, Fish S, Froelich JM, Wall D, Hermann T. Structure-guided discovery of novel aminoglycoside mimetics as antibacterial translation inhibitors. Antimicrob Agents Chemother. 2005 Dec;49(12):4942-9. doi: 10.1128/AAC.49.12.4942-4949.2005. PMID: 16304156; PMCID: PMC1315978.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16304156/,,,,,,Not Found,No,No,,,,
DBoRL473,Diamino piperidinyl triazine 3,"N-[4-({4-[bis(2-aminoethyl)amino]-6-(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl}amino)phenyl]-3-hydroxynaphthalene-2-carboxamide",NCCN(CCN)c1nc(Nc2ccc(NC(=O)c3cc4ccccc4cc3O)cc2)nc(N2CC(N)CC(N)C2)n1,"InChI=1/C29H37N11O2/c30-9-11-39(12-10-31)28-36-27(37-29(38-28)40-16-20(32)15-21(33)17-40)35-23-7-5-22(6-8-23)34-26(42)24-13-18-3-1-2-4-19(18)14-25(24)41/h1-8,13-14,20-21,41H,9-12,15-17,30-33H2,(H,34,42)(H,35,36,37,38)",SWNXSUYGNRDSCF-UHFFFAOYNA-N,C29H37N11O2,Not Found,571.69,0.975836791,7,12,10,5,16s rRNA A SITE,"Diamino piperidinyl triazine 3, an aminoglycoside mimetic, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",16304156,,,,,,"Zhou Y, Gregor VE, Sun Z, Ayida BK, Winters GC, Murphy D, Simonsen KB, Vourloumis D, Fish S, Froelich JM, Wall D, Hermann T. Structure-guided discovery of novel aminoglycoside mimetics as antibacterial translation inhibitors. Antimicrob Agents Chemother. 2005 Dec;49(12):4942-9. doi: 10.1128/AAC.49.12.4942-4949.2005. PMID: 16304156; PMCID: PMC1315978.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16304156/,,,,,,Not Found,No,No,,,,
DBoRL474,TPP,"3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium",CC1=C(CCOP(O)(=O)OP(O)(O)=O)SC=[N+]1CC1=CN=C(C)N=C1N,"InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1",AYEKOFBPNLCAJY-UHFFFAOYSA-O,C12H19N4O7P2S,136-08-3,425.31,-5.921057522,4,8,8,2,B. subtilis tenA TPP Riboswitches (mutant),"Expression of a Thiamine pyrophosphate (TPP) riboswitch-regulated reporter gene is reduced in transgenic B. subtilis when grown in the presence of thiamine or PT, while mutant riboswitches in these organisms are unresponsive to these ligands.",16356850,,,,,,"Sudarsan N, Cohen-Chalamish S, Nakamura S, Emilsson GM, Breaker RR. Thiamine pyrophosphate riboswitches are targets for the antimicrobial compound pyrithiamine. Chem Biol. 2005 Dec;12(12):1325-35. doi: 10.1016/j.chembiol.2005.10.007. PMID: 16356850.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16356850/,,,,,,1132,Yes,Yes,Experimental,DB01987,https://go.drugbank.com/drugs/DB01987,
DBoRL475,PT,1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridin-1-ium,CC1=NC=C(C[N+]2=CC=CC(CCO)=C2C)C(N)=N1,"InChI=1S/C14H19N4O/c1-10-12(5-7-19)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8,19H,5,7,9H2,1-2H3,(H2,15,16,17)/q+1",PZWYDZMWPANLMB-UHFFFAOYSA-N,C14H19N4O,5593-78-2,259.332,-3.864146253,2,4,4,2,B. subtilis tenA TPP Riboswitches (wild),Pyrithiamine (PT) is a thiamine analogue which exhibits antimicrobial action by interacts with TPP riboswitches in bacteria and fungi.,16356850,,,,,,"Sudarsan N, Cohen-Chalamish S, Nakamura S, Emilsson GM, Breaker RR. Thiamine pyrophosphate riboswitches are targets for the antimicrobial compound pyrithiamine. Chem Biol. 2005 Dec;12(12):1325-35. doi: 10.1016/j.chembiol.2005.10.007. PMID: 16356850.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16356850/,,,,,,10803,No,No,,,,
DBoRL476,PTPP,1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-methylpyridin-1-ium,CC1=NC=C(C[N+]2=CC=CC(CCOP(O)(=O)OP(O)(O)=O)=C2C)C(N)=N1,"InChI=1S/C14H20N4O7P2/c1-10-12(5-7-24-27(22,23)25-26(19,20)21)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8H,5,7,9H2,1-2H3,(H4-,15,16,17,19,20,21,22,23)/p+1",ZHKSTKOYQKNDSJ-UHFFFAOYSA-O,C14H21N4O7P2,Not Found,419.29,-6.838272826,4,8,8,2,A. oryzae thiA TPP Riboswitch,"Pyrithiamine pyrophosphate (PTPP), which is an antimicrobial compound, binds the thiamine pyrophosphate (TPP) riboswitch controlling the A. oryzae thiA TPP Riboswitch.",16356850,,,,,,"Sudarsan N, Cohen-Chalamish S, Nakamura S, Emilsson GM, Breaker RR. Thiamine pyrophosphate riboswitches are targets for the antimicrobial compound pyrithiamine. Chem Biol. 2005 Dec;12(12):1325-35. doi: 10.1016/j.chembiol.2005.10.007. PMID: 16356850.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16356850/,,,,,,5327150,Yes,No,Experimental,DB04768,https://go.drugbank.com/drugs/DB04768,
DBoRL477,Thiamine,"3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium",CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N,"InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1",JZRWCGZRTZMZEH-UHFFFAOYSA-N,C12H17N4OS,70-16-6,265.35,-3.097412649,2,4,4,2,B. subtilis tenA TPP Riboswitches (wild),Thiamine & pyrophosphate together formed Thiamine pyrophosphate (TPP) which is a coenzyme that binds with B. subtilis tenA TPP Riboswitches (wild) & regulates thiamine metabolism genes.,16356850,,,,,,"Sudarsan N, Cohen-Chalamish S, Nakamura S, Emilsson GM, Breaker RR. Thiamine pyrophosphate riboswitches are targets for the antimicrobial compound pyrithiamine. Chem Biol. 2005 Dec;12(12):1325-35. doi: 10.1016/j.chembiol.2005.10.007. PMID: 16356850.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16356850/,,,,,,1130,Yes,Yes,Investigational Nutraceutical Vet_approved,DB00152,https://go.drugbank.com/drugs/DB00152,
DBoRL478,Thiamine diphosphate,"3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium",Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1,"InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1",AYEKOFBPNLCAJY-UHFFFAOYSA-O,C12H19N4O7P2S,136-08-3,425.31,-5.921057522,4,8,8,2,B. subtilis tenA TPP Riboswitches,Thiamine diphosphate interacts with TPP riboswitches in bacteria and fungi. The compound binds the TPP riboswitch and controlling the tenA operon.,16356850,,,,,,"Sudarsan N, Cohen-Chalamish S, Nakamura S, Emilsson GM, Breaker RR. Thiamine pyrophosphate riboswitches are targets for the antimicrobial compound pyrithiamine. Chem Biol. 2005 Dec;12(12):1325-35. doi: 10.1016/j.chembiol.2005.10.007. PMID: 16356850.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16356850/,,,,,,1132,Yes,Yes,Experimental,DB01987,https://go.drugbank.com/drugs/DB01987,
DBoRL479,TPP,"3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium",CC1=C(CCOP(O)(=O)OP(O)(O)=O)SC=[N+]1CC1=CN=C(C)N=C1N,"InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1",AYEKOFBPNLCAJY-UHFFFAOYSA-O,C12H19N4O7P2S,136-08-3,425.31,-5.921057522,4,8,8,2,A. oryzae thiA TPP Riboswitch,Thiamine pyrophosphate (TPP) is a coenzyme which binds with A. oryzae thiA TPP Riboswitch & regulate thiamine metabolism genes. ,16356850,,,,,,"Sudarsan N, Cohen-Chalamish S, Nakamura S, Emilsson GM, Breaker RR. Thiamine pyrophosphate riboswitches are targets for the antimicrobial compound pyrithiamine. Chem Biol. 2005 Dec;12(12):1325-35. doi: 10.1016/j.chembiol.2005.10.007. PMID: 16356850.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16356850/,,,,,,1132,Yes,Yes,Experimental,DB01987,https://go.drugbank.com/drugs/DB01987,
DBoRL480,PTPP,1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-methylpyridin-1-ium,CC1=NC=C(C[N+]2=CC=CC(CCOP(O)(=O)OP(O)(O)=O)=C2C)C(N)=N1,"InChI=1S/C14H20N4O7P2/c1-10-12(5-7-24-27(22,23)25-26(19,20)21)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8H,5,7,9H2,1-2H3,(H4-,15,16,17,19,20,21,22,23)/p+1",ZHKSTKOYQKNDSJ-UHFFFAOYSA-O,C14H21N4O7P2,Not Found,419.29,-6.838272826,4,8,8,2,B. subtilis tenA TPP Riboswitches (wild),Thiamine pyrophosphate (TPP) is a coenzyme which binds with B. subtilis tenA TPP Riboswitches (wild) & regulates thiamine metabolism genes.,16356850,,,,,,"Sudarsan N, Cohen-Chalamish S, Nakamura S, Emilsson GM, Breaker RR. Thiamine pyrophosphate riboswitches are targets for the antimicrobial compound pyrithiamine. Chem Biol. 2005 Dec;12(12):1325-35. doi: 10.1016/j.chembiol.2005.10.007. PMID: 16356850.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16356850/,,,,,,5327150,Yes,No,Experimental,DB04768,https://go.drugbank.com/drugs/DB04768,
DBoRL481,TPP,"3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium",CC1=C(CCOP(O)(=O)OP(O)(O)=O)SC=[N+]1CC1=CN=C(C)N=C1N,"InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1",AYEKOFBPNLCAJY-UHFFFAOYSA-O,C12H19N4O7P2S,136-08-3,425.31,-5.921057522,4,8,8,2,B. subtilis tenA TPP Riboswitches (wild),Thiamine pyrophosphate (TPP) is a coenzyme which binds with bacterial riboswitch class & regulates thiamine metabolism genes.,16356850,,,,,,"Sudarsan N, Cohen-Chalamish S, Nakamura S, Emilsson GM, Breaker RR. Thiamine pyrophosphate riboswitches are targets for the antimicrobial compound pyrithiamine. Chem Biol. 2005 Dec;12(12):1325-35. doi: 10.1016/j.chembiol.2005.10.007. PMID: 16356850.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16356850/,,,,,,1132,Yes,Yes,Experimental,DB01987,https://go.drugbank.com/drugs/DB01987,
DBoRL482,PTPP,1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-methylpyridin-1-ium,CC1=NC=C(C[N+]2=CC=CC(CCOP(O)(=O)OP(O)(O)=O)=C2C)C(N)=N1,"InChI=1S/C14H20N4O7P2/c1-10-12(5-7-24-27(22,23)25-26(19,20)21)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8H,5,7,9H2,1-2H3,(H4-,15,16,17,19,20,21,22,23)/p+1",ZHKSTKOYQKNDSJ-UHFFFAOYSA-O,C14H21N4O7P2,Not Found,419.29,-6.838272826,4,8,8,2,B. subtilis tenA TPP Riboswitches (mutant),"Thiamine pyrophosphate (TPP) is a coenzyme which is unable to binds with B. subtilis tenA TPP Riboswitches (mutant) & for this unable to regulate thiamine metabolism genes. Please, go through reference for more details.",16356850,,,,,,"Sudarsan N, Cohen-Chalamish S, Nakamura S, Emilsson GM, Breaker RR. Thiamine pyrophosphate riboswitches are targets for the antimicrobial compound pyrithiamine. Chem Biol. 2005 Dec;12(12):1325-35. doi: 10.1016/j.chembiol.2005.10.007. PMID: 16356850.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16356850/,,,,,,5327150,Yes,No,Experimental,DB04768,https://go.drugbank.com/drugs/DB04768,
DBoRL483,Yohimbine,"methyl 18-hydroxy-3,13-diazapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-2(10),4,6,8-tetraene-19-carboxylate",COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21,"InChI=1/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3",BLGXFZZNTVWLAY-UHFFFAOYNA-N,C21H26N2O3,Not Found,354.45,2.09865826,2,3,2,5,HIV-1 TAR ,"Yohimbine, a natural product, up-regulate ferritin expression by binding with native mRNA.",16381820,,,,,,"Tibodeau JD, Fox PM, Ropp PA, Theil EC, Thorp HH. The up-regulation of ferritin expression using a small-molecule ligand to the native mRNA. Proc Natl Acad Sci U S A. 2006 Jan 10;103(2):253-7. doi: 10.1073/pnas.0509744102. Epub 2005 Dec 28. PMID: 16381820; PMCID: PMC1326178.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16381820/,,,,,,2866,Yes,Yes,Investigational Vet_approved,DB01392,https://go.drugbank.com/drugs/DB01392,
DBoRL484,Delphinidin (del),"3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-1??-chromen-1-ylium",OC1=CC(O)=C2C=C(O)C(=[O+]C2=C1)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5H,(H5-,16,17,18,19,20,21)/p+1",JKHRCGUTYDNCLE-UHFFFAOYSA-O,C15H11O7,13270-61-6,303.245,2.7659,6,7,1,3,tRNA duplex,"Delphinidin (del), an antioxidant flavonoid, interacts with tRNA duplex and work as an intercalating agent for tRNA duplex.",16460235,,,,,,"Kanakis CD, Tarantilis PA, Polissiou MG, Tajmir-Riahi HA. Interaction of antioxidant flavonoids with tRNA: intercalation or external binding and comparison with flavonoid-DNA adducts. DNA Cell Biol. 2006 Feb;25(2):116-23. doi: 10.1089/dna.2006.25.116. PMID: 16460235.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16460235/,,,,,,128853,No,No,,,,
DBoRL485,Delphinidin,"3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-1??-chromen-1-ylium",Oc1cc(O)c2cc(O)c(-c3cc(O)c(O)c(O)c3)[o+]c2c1,"InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5H,(H5-,16,17,18,19,20,21)/p+1",JKHRCGUTYDNCLE-UHFFFAOYSA-O,C15H11O7,13270-61-6,303.245,2.7659,6,7,1,3,tRNA duplex,"Delphinidin, an antioxidant flavonoid, interacts with tRNA duplex and work as an intercalating agent for tRNA duplex.",16460235,,,,,,"Kanakis CD, Tarantilis PA, Polissiou MG, Tajmir-Riahi HA. Interaction of antioxidant flavonoids with tRNA: intercalation or external binding and comparison with flavonoid-DNA adducts. DNA Cell Biol. 2006 Feb;25(2):116-23. doi: 10.1089/dna.2006.25.116. PMID: 16460235.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16460235/,,,,,,128853,No,No,,,,
DBoRL486,Kaempferol (kae),"3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one",OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",IYRMWMYZSQPJKC-UHFFFAOYSA-N,C15H10O6,520-18-3,286.239,2.459864786,4,6,1,3,tRNA duplex,"Kaempferol (kae), an antioxidant flavonoid, interacts with tRNA duplex and work as an intercalating agent for tRNA duplex.",16460235,,,,,,"Kanakis CD, Tarantilis PA, Polissiou MG, Tajmir-Riahi HA. Interaction of antioxidant flavonoids with tRNA: intercalation or external binding and comparison with flavonoid-DNA adducts. DNA Cell Biol. 2006 Feb;25(2):116-23. doi: 10.1089/dna.2006.25.116. PMID: 16460235.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16460235/,,,,,,5280863,Yes,No,Experimental,DB01852,https://go.drugbank.com/drugs/DB01852,
DBoRL487,Kaempferol,"3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",IYRMWMYZSQPJKC-UHFFFAOYSA-N,C15H10O6,520-18-3,286.239,2.459864786,4,6,1,3,tRNA duplex,"Kaempferol, an antioxidant flavonoid, interacts with tRNA duplex and work as an intercalating agent for tRNA duplex.",16460235,,,,,,"Kanakis CD, Tarantilis PA, Polissiou MG, Tajmir-Riahi HA. Interaction of antioxidant flavonoids with tRNA: intercalation or external binding and comparison with flavonoid-DNA adducts. DNA Cell Biol. 2006 Feb;25(2):116-23. doi: 10.1089/dna.2006.25.116. PMID: 16460235.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16460235/,,,,,,5280863,Yes,No,Experimental,DB01852,https://go.drugbank.com/drugs/DB01852,
DBoRL488,Quercetin (que),"2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one",OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC(O)=C(O)C=C1,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",REFJWTPEDVJJIY-UHFFFAOYSA-N,C15H10O7,"117-39-5,74893-81-5",302.238,2.156299464,5,7,1,3,tRNA duplex,"Quercetin (que), an antioxidant flavonoid, interacts with tRNA duplex and work as an intercalating agent for tRNA duplex.",16460235,,,,,,"Kanakis CD, Tarantilis PA, Polissiou MG, Tajmir-Riahi HA. Interaction of antioxidant flavonoids with tRNA: intercalation or external binding and comparison with flavonoid-DNA adducts. DNA Cell Biol. 2006 Feb;25(2):116-23. doi: 10.1089/dna.2006.25.116. PMID: 16460235.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16460235/,,,,,,5280343,Yes,No,Experimental Investigational,DB04216,https://go.drugbank.com/drugs/DB04216,
DBoRL489,Quercetin,"2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",REFJWTPEDVJJIY-UHFFFAOYSA-N,C15H10O7,"117-39-5,74893-81-5",302.238,2.156299464,5,7,1,3,tRNA duplex,"Quercetin, an antioxidant flavonoid, interacts with tRNA duplex and work as an intercalating agent for tRNA duplex.",16460235,,,,,,"Kanakis CD, Tarantilis PA, Polissiou MG, Tajmir-Riahi HA. Interaction of antioxidant flavonoids with tRNA: intercalation or external binding and comparison with flavonoid-DNA adducts. DNA Cell Biol. 2006 Feb;25(2):116-23. doi: 10.1089/dna.2006.25.116. PMID: 16460235.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16460235/,,,,,,5280343,Yes,No,Experimental Investigational,DB04216,https://go.drugbank.com/drugs/DB04216,
DBoRL490,palmatine,"3,4,10,11-tetramethoxy-7,8-dihydro-6??-azatetraphen-6-ylium",COC1=CC2=C(C=C1OC)C1=CC3=CC=C(OC)C(OC)=C3C=[N+]1CC2,"InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1",QUCQEUCGKKTEBI-UHFFFAOYSA-N,C21H22NO4,3486-67-7,352.409,-1.221888285,0,4,4,4,RNA ss poly(A),"The cytotoxic plant alkaloid palmatine was found to bind strongly by partial intercalation to single stranded poly(A) structure with binding affinity (Ka) of (8.36 ? 0.26) 105 M-1. Palmatine was characterized to be exothermic and enthalpy driven with one palmatine for every two adenine residues. On the other hand, the binding to the double stranded poly(A) has been found to be significantly weak. Poly(A) is a potential bio-target for the alkaloid palmatine and its use as a lead compound in antitumor drug screening.",16497501,,,,,,"Giri P, Hossain M, Kumar GS. RNA specific molecules: cytotoxic plant alkaloid palmatine binds strongly to poly(A). Bioorg Med Chem Lett. 2006 May 1;16(9):2364-8. doi: 10.1016/j.bmcl.2006.01.124. Epub 2006 Feb 23. PMID: 16497501.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16497501/,,,,,,19009,No,No,,,,
DBoRL491,Dichlorolissoclimide,"3-[2-(6,7-dichloro-3-hydroxy-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)-1-hydroxyethyl]pyrrolidine-2,5-dione",C=C1C(O)CC2C(C)(C)C(Cl)C(Cl)CC2(C)C1CC(O)C1CC(=O)NC1=O,"InChI=1/C20H29Cl2NO4/c1-9-11(6-14(25)10-5-16(26)23-18(10)27)20(4)8-12(21)17(22)19(2,3)15(20)7-13(9)24/h10-15,17,24-25H,1,5-8H2,2-4H3,(H,23,26,27)",RXKVVHDLUDIYSP-UHFFFAOYNA-N,C20H29Cl2NO4,Not Found,418.36,1.808003047,3,4,3,3,80S Ribosome,"Chlorolissoclimides is an inhibitor of eukaryotic protein synthesis. They block translation elongation by inhibiting translocation, leading to an accumulation of ribosomes on mRNA.",16540697,,,,,,"Robert F, Gao HQ, Donia M, Merrick WC, Hamann MT, Pelletier J. Chlorolissoclimides: new inhibitors of eukaryotic protein synthesis. RNA 12(5), 717?725 (2006).",,,,,,https://pubmed.ncbi.nlm.nih.gov/16540697/,,,,,,132191,No,No,,,,
DBoRL492,Cethromycin (Restanza) ,"10-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-3a,7,9,11,13,15-hexamethyl-11-{[3-(quinolin-3-yl)prop-2-en-1-yl]oxy}-tetradecahydro-1H-oxacyclotetradeca[4,3-d][1,3]oxazole-2,6,8,14-tetrone",CCC1OC(=O)C(C)C(=O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OCC=Cc2cnc3ccccc3c2)CC(C)C(=O)C(C)C2NC(=O)OC12C,"InChI=1/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)21-41(7,51-18-14-15-28-20-29-16-12-13-17-30(29)43-22-28)37(26(5)34(47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)19-24(3)52-39/h12-17,20,22-27,31-32,35-37,39,48H,11,18-19,21H2,1-10H3,(H,44,50)",PENDGIOBPJLVBT-UHFFFAOYNA-N,C42H59N3O10,Not Found,765.945,5.79337481,2,10,8,5,U2609 Ecoli ribosome,Cethromycin (restanza) binds with E. coli ribosome and inhibit the translation process.,16553874,,,,,,"Tenson T, Mankin A. Antibiotics and the ribosome. Mol Microbiol. 2006 Mar;59(6):1664-77. doi: 10.1111/j.1365-2958.2006.05063.x. PMID: 16553874.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16553874/,,,,,,4470571,Yes,No,Investigational,DB06419,https://go.drugbank.com/drugs/DB06419,
DBoRL493,Neamine mimic 1,"5-amino-6-{[3-amino-6-(aminomethyl)-5-hydroxy-2-methoxyoxan-4-yl]oxy}-2-(hydroxymethyl)oxane-3,4-diol",COC1OC(CN)C(O)C(OC2OC(CO)C(O)C(O)C2N)C1N,"InChI=1/C13H27N3O8/c1-21-12-7(16)11(9(19)4(2-14)22-12)24-13-6(15)10(20)8(18)5(3-17)23-13/h4-13,17-20H,2-3,14-16H2,1H3",AVJYXYOVDPJSBE-UHFFFAOYNA-N,C13H27N3O8,Not Found,353.372,-4.38089375,7,11,5,2,16s rRNA A SITE,"Neamine mimic 1 binds to 16S ribosomal RNA A site, which interfere the aminoacyl tRNA binding with A site. This prevents incorporation of amino acid residues into elongating peptide chains.",16557321,,,,,,"1) Venot A, Swayze EE, Griffey RH, Boons GJ. Disaccharide mimetics of the aminoglycoside antibiotic neamine. Chembiochem. 2004 Sep 6;5(9):1228-36. doi: 10.1002/cbic.200400105. PMID: 15368574. 2) Rao Y, Venot A, Swayze EE, Griffey RH, Boons GJ. Trisaccharide mimetics of the aminoglycoside antibiotic neomycin. Org Biomol Chem. 2006 Apr 7;4(7):1328-37. doi: 10.1039/b517725a. Epub 2006 Feb 22. PMID: 16557321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16557321/,,,,,,Not Found,No,No,,,,
DBoRL494,Neamine mimic 2,"5-amino-6-{[3-amino-6-(aminomethyl)-5-hydroxy-2-methoxyoxan-4-yl]oxy}-2-(aminomethyl)oxane-3,4-diol",COC1OC(CN)C(O)C(OC2OC(CN)C(O)C(O)C2N)C1N,"InChI=1/C13H28N4O7/c1-21-12-7(17)11(9(19)5(3-15)22-12)24-13-6(16)10(20)8(18)4(2-14)23-13/h4-13,18-20H,2-3,14-17H2,1H3",KPZKZXFOWRRATI-UHFFFAOYNA-N,C13H28N4O7,Not Found,352.388,-4.487775547,7,11,5,2,16s rRNA A SITE,"Neamine mimic 2 binds to 16S ribosomal RNA A site, which interfere the aminoacyl tRNA binding with A site. This prevents incorporation of amino acid residues into elongating peptide chains.",16557321,,,,,,"1) Venot A, Swayze EE, Griffey RH, Boons GJ. Disaccharide mimetics of the aminoglycoside antibiotic neamine. Chembiochem. 2004 Sep 6;5(9):1228-36. doi: 10.1002/cbic.200400105. PMID: 15368574. 2) Rao Y, Venot A, Swayze EE, Griffey RH, Boons GJ. Trisaccharide mimetics of the aminoglycoside antibiotic neomycin. Org Biomol Chem. 2006 Apr 7;4(7):1328-37. doi: 10.1039/b517725a. Epub 2006 Feb 22. PMID: 16557321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16557321/,,,,,,Not Found,No,No,,,,
DBoRL495,Neamine mimic 3,"5-amino-6-{[5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy}-2-(aminomethyl)oxane-3,4-diol",COC1OC(CO)C(OC2OC(CN)C(O)C(O)C2N)C(O)C1N,"InChI=1/C13H27N3O8/c1-21-12-7(16)10(20)11(5(3-17)23-12)24-13-6(15)9(19)8(18)4(2-14)22-13/h4-13,17-20H,2-3,14-16H2,1H3",JIEWUWUDONOKSJ-UHFFFAOYNA-N,C13H27N3O8,Not Found,353.372,-4.38089375,7,11,5,2,16s rRNA A SITE,"Neamine mimic 3 binds to 16S ribosomal RNA A site, which interfere the aminoacyl tRNA binding with A site. This prevents incorporation of amino acid residues into elongating peptide chains.",16557321,,,,,,"1) Venot A, Swayze EE, Griffey RH, Boons GJ. Disaccharide mimetics of the aminoglycoside antibiotic neamine. Chembiochem. 2004 Sep 6;5(9):1228-36. doi: 10.1002/cbic.200400105. PMID: 15368574. 2) Rao Y, Venot A, Swayze EE, Griffey RH, Boons GJ. Trisaccharide mimetics of the aminoglycoside antibiotic neomycin. Org Biomol Chem. 2006 Apr 7;4(7):1328-37. doi: 10.1039/b517725a. Epub 2006 Feb 22. PMID: 16557321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16557321/,,,,,,Not Found,No,No,,,,
DBoRL496,Neamine mimic 4,"5-amino-6-{[5-amino-2-(aminomethyl)-4-hydroxy-6-methoxyoxan-3-yl]oxy}-2-(hydroxymethyl)oxane-3,4-diol",COC1OC(CN)C(OC2OC(CO)C(O)C(O)C2N)C(O)C1N,"InChI=1/C13H27N3O8/c1-21-12-7(16)10(20)11(4(2-14)22-12)24-13-6(15)9(19)8(18)5(3-17)23-13/h4-13,17-20H,2-3,14-16H2,1H3",IFFJBPSEYVPSMJ-UHFFFAOYNA-N,C13H27N3O8,Not Found,353.372,-4.38089375,7,11,5,2,16s rRNA A SITE,"Neamine mimic 4 binds to 16S ribosomal RNA A site, which interfere the aminoacyl tRNA binding with A site. This prevents incorporation of amino acid residues into elongating peptide chains.",16557321,,,,,,"1) Venot A, Swayze EE, Griffey RH, Boons GJ. Disaccharide mimetics of the aminoglycoside antibiotic neamine. Chembiochem. 2004 Sep 6;5(9):1228-36. doi: 10.1002/cbic.200400105. PMID: 15368574. 2) Rao Y, Venot A, Swayze EE, Griffey RH, Boons GJ. Trisaccharide mimetics of the aminoglycoside antibiotic neomycin. Org Biomol Chem. 2006 Apr 7;4(7):1328-37. doi: 10.1039/b517725a. Epub 2006 Feb 22. PMID: 16557321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16557321/,,,,,,Not Found,No,No,,,,
DBoRL497,Neamine mimic 5,"5-amino-6-{[5-amino-2-(aminomethyl)-4-hydroxy-6-methoxyoxan-3-yl]oxy}-2-(aminomethyl)oxane-3,4-diol",COC1OC(CN)C(OC2OC(CN)C(O)C(O)C2N)C(O)C1N,"InChI=1/C13H28N4O7/c1-21-12-7(17)10(20)11(5(3-15)23-12)24-13-6(16)9(19)8(18)4(2-14)22-13/h4-13,18-20H,2-3,14-17H2,1H3",DKWCJBKPEUVDKO-UHFFFAOYNA-N,C13H28N4O7,Not Found,352.388,-4.487775547,7,11,5,2,16s rRNA A SITE,"Neamine mimic 5 binds to 16S ribosomal RNA A site, which interfere the aminoacyl tRNA binding with A site. This prevents incorporation of amino acid residues into elongating peptide chains.",16557321,,,,,,"1) Venot A, Swayze EE, Griffey RH, Boons GJ. Disaccharide mimetics of the aminoglycoside antibiotic neamine. Chembiochem. 2004 Sep 6;5(9):1228-36. doi: 10.1002/cbic.200400105. PMID: 15368574. 2) Rao Y, Venot A, Swayze EE, Griffey RH, Boons GJ. Trisaccharide mimetics of the aminoglycoside antibiotic neomycin. Org Biomol Chem. 2006 Apr 7;4(7):1328-37. doi: 10.1039/b517725a. Epub 2006 Feb 22. PMID: 16557321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16557321/,,,,,,Not Found,No,No,,,,
DBoRL498,Neamine mimic 7,"5-amino-2-[(5-amino-4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-2-(aminomethyl)-6-methoxyoxan-3-yl)oxy]-6-methyloxane-3,4-diol",COC1OC(CN)C(OC2OC(C)C(N)C(O)C2O)C(OC2OC(CN)C(O)C(O)C2N)C1N,"InChI=1/C19H39N5O10/c1-5-8(22)12(26)14(28)19(30-5)33-15-7(4-21)32-17(29-2)10(24)16(15)34-18-9(23)13(27)11(25)6(3-20)31-18/h5-19,25-28H,3-4,20-24H2,1-2H3",KQQCEUDGPYPGDN-UHFFFAOYNA-N,C19H39N5O10,Not Found,497.546,-5.318583022,9,15,7,3,16s rRNA A SITE,"Neamine mimic 7 binds to 16S ribosomal RNA A site, which interfere the aminoacyl tRNA binding with A site. This prevents incorporation of amino acid residues into elongating peptide chains.",16557321,,,,,,"1) Venot A, Swayze EE, Griffey RH, Boons GJ. Disaccharide mimetics of the aminoglycoside antibiotic neamine. Chembiochem. 2004 Sep 6;5(9):1228-36. doi: 10.1002/cbic.200400105. PMID: 15368574. 2) Rao Y, Venot A, Swayze EE, Griffey RH, Boons GJ. Trisaccharide mimetics of the aminoglycoside antibiotic neomycin. Org Biomol Chem. 2006 Apr 7;4(7):1328-37. doi: 10.1039/b517725a. Epub 2006 Feb 22. PMID: 16557321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16557321/,,,,,,Not Found,No,No,,,,
DBoRL499,Neamine mimic 8,"5-amino-6-{[5-amino-2-(aminomethyl)-4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-6-methoxyoxan-3-yl]oxy}-2-(aminomethyl)oxane-3,4-diol",COC1OC(CN)C(OC2OC(CN)C(O)C(O)C2N)C(OC2OC(CO)C(O)C2O)C1N,"InChI=1/C18H36N4O11/c1-28-16-9(22)15(33-18-13(27)11(25)7(4-23)31-18)14(6(3-20)30-16)32-17-8(21)12(26)10(24)5(2-19)29-17/h5-18,23-27H,2-4,19-22H2,1H3",PZSIKRSZEDYOJM-UHFFFAOYNA-N,C18H36N4O11,Not Found,484.503,-5.62827625,9,15,8,3,16s rRNA A SITE,"Neamine mimic 8 binds to 16S ribosomal RNA A site, which interfere the aminoacyl tRNA binding with A site. This prevents incorporation of amino acid residues into elongating peptide chains.",16557321,,,,,,"1) Venot A, Swayze EE, Griffey RH, Boons GJ. Disaccharide mimetics of the aminoglycoside antibiotic neamine. Chembiochem. 2004 Sep 6;5(9):1228-36. doi: 10.1002/cbic.200400105. PMID: 15368574. 2) Rao Y, Venot A, Swayze EE, Griffey RH, Boons GJ. Trisaccharide mimetics of the aminoglycoside antibiotic neomycin. Org Biomol Chem. 2006 Apr 7;4(7):1328-37. doi: 10.1039/b517725a. Epub 2006 Feb 22. PMID: 16557321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16557321/,,,,,,Not Found,No,No,,,,
DBoRL500,Neamine mimic 9,"5-amino-6-({5-amino-4-[(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-2-(aminomethyl)-6-methoxyoxan-3-yl}oxy)-2-(aminomethyl)oxane-3,4-diol",COC1OC(CN)C(OC2OC(CN)C(O)C(O)C2N)C(OC2OC(C)C(N)C(O)C2O)C1N,"InChI=1/C19H39N5O10/c1-5-8(22)12(26)14(28)19(30-5)34-16-10(24)17(29-2)32-7(4-21)15(16)33-18-9(23)13(27)11(25)6(3-20)31-18/h5-19,25-28H,3-4,20-24H2,1-2H3",HAAAJSRCLXZXOX-UHFFFAOYNA-N,C19H39N5O10,Not Found,497.546,-5.318583022,9,15,7,3,16s rRNA A SITE,"Neamine mimic 9 binds to 16S ribosomal RNA A site, which interfere the aminoacyl tRNA binding with A site. This prevents incorporation of amino acid residues into elongating peptide chains.",16557321,,,,,,"1) Venot A, Swayze EE, Griffey RH, Boons GJ. Disaccharide mimetics of the aminoglycoside antibiotic neamine. Chembiochem. 2004 Sep 6;5(9):1228-36. doi: 10.1002/cbic.200400105. PMID: 15368574. 2) Rao Y, Venot A, Swayze EE, Griffey RH, Boons GJ. Trisaccharide mimetics of the aminoglycoside antibiotic neomycin. Org Biomol Chem. 2006 Apr 7;4(7):1328-37. doi: 10.1039/b517725a. Epub 2006 Feb 22. PMID: 16557321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16557321/,,,,,,Not Found,No,No,,,,
DBoRL501,"[(4R,5S)-4-Benzyl-3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 2-phenylacetate","[4-benzyl-3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 2-phenylacetate",COc1ccc(N2C(=O)OC(COC(=O)Cc3ccccc3)C2Cc2ccccc2)cc1,"InChI=1/C26H25NO5/c1-30-22-14-12-21(13-15-22)27-23(16-19-8-4-2-5-9-19)24(32-26(27)29)18-31-25(28)17-20-10-6-3-7-11-20/h2-15,23-24H,16-18H2,1H3",SQCWWIPRUWTVIF-UHFFFAOYNA-N,C26H25NO5,Not Found,431.488,5.083148859,0,4,9,4,AM1A RNA,"[(4R,5S)-4-Benzyl-3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 2-phenylacetate, a oxazolidinone, binds to AMA1 RNA and inhibits the translation at the initiation stage of protein synthesis of AMA1 protein.",16603349,,,,,,"Means J, Katz S, Nayek A, Anupam R, Hines JV, Bergmeier SC. Structure-activity studies of oxazolidinone analogs as RNA-binding agents. Bioorg Med Chem Lett. 2006 Jul 1;16(13):3600-4. doi: 10.1016/j.bmcl.2006.03.068. Epub 2006 Apr 5. PMID: 16603349.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16603349/,,,,,,Not Found,No,No,,,,
DBoRL502,Compound 35,"(4-benzyl-2-oxo-1,3-oxazolidin-5-yl)methyl cyclohexanecarboxylate",O=C1NC(Cc2ccccc2)C(COC(=O)C2CCCCC2)O1,"InChI=1/C18H23NO4/c20-17(14-9-5-2-6-10-14)22-12-16-15(19-18(21)23-16)11-13-7-3-1-4-8-13/h1,3-4,7-8,14-16H,2,5-6,9-12H2,(H,19,21)",CTJSKKXDJMXURL-UHFFFAOYNA-N,C18H23NO4,Not Found,317.385,3.638348009,1,2,6,3,AM1A RNA,Compound 35 is a oxazolidinone that binds to AMA1 RNA and inhibits the translation at the initiation stage of protein synthesis of AMA1 protein.,16603349,,,,,,"Means J, Katz S, Nayek A, Anupam R, Hines JV, Bergmeier SC. Structure-activity studies of oxazolidinone analogs as RNA-binding agents. Bioorg Med Chem Lett. 2006 Jul 1;16(13):3600-4. doi: 10.1016/j.bmcl.2006.03.068. Epub 2006 Apr 5. PMID: 16603349.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16603349/,,,,,,Not Found,No,No,,,,
DBoRL503,Compound 4d,"[(4R,5S)-4-benzyl-3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 2-phenylacetate",COC1=CC=C(C=C1)N1[C@H](CC2=CC=CC=C2)[C@@H](COC(=O)CC2=CC=CC=C2)OC1=O,"InChI=1S/C26H25NO5/c1-30-22-14-12-21(13-15-22)27-23(16-19-8-4-2-5-9-19)24(32-26(27)29)18-31-25(28)17-20-10-6-3-7-11-20/h2-15,23-24H,16-18H2,1H3/t23-,24-/m1/s1",SQCWWIPRUWTVIF-DNQXCXABSA-N,C26H25NO5,Not Found,431.488,5.083148859,0,4,9,4,AM1A RNA,This compound is an oxazolidinone analogue which has high affinity molecular effectors of RNA function that modulates the transcription antitermination function of the T box riboswitch.,16603349,,,,,,"Means J, Katz S, Nayek A, Anupam R, Hines JV, Bergmeier SC. Structure-activity studies of oxazolidinone analogs as RNA-binding agents. Bioorg Med Chem Lett. 2006 Jul 1;16(13):3600-4. doi: 10.1016/j.bmcl.2006.03.068. Epub 2006 Apr 5. PMID: 16603349.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16603349/,,,,,,44413266,No,No,,,,
DBoRL504,Compound  5a,"[(4R,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl 2-phenylacetate",O=C(CC1=CC=CC=C1)OC[C@H]1OC(=O)N[C@@H]1CC1=CC=CC=C1,"InChI=1S/C19H19NO4/c21-18(12-15-9-5-2-6-10-15)23-13-17-16(20-19(22)24-17)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,20,22)/t16-,17-/m1/s1",BRSHZFHRHVMZRB-IAGOWNOFSA-N,C19H19NO4,Not Found,325.364,3.359185611,1,2,7,3,AM1A RNA,This compound is an oxazolidinone analogue which has high affinity molecular effectors of RNA function that modulates the transcription antitermination function of the T box riboswitch.,16603349,,,,,,"Means J, Katz S, Nayek A, Anupam R, Hines JV, Bergmeier SC. Structure-activity studies of oxazolidinone analogs as RNA-binding agents. Bioorg Med Chem Lett. 2006 Jul 1;16(13):3600-4. doi: 10.1016/j.bmcl.2006.03.068. Epub 2006 Apr 5. PMID: 16603349.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16603349/,,,,,,16007206,No,No,,,,
DBoRL505,Compound 5c,"[(4R,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl cyclohexanecarboxylate",O=C(OC[C@H]1OC(=O)N[C@@H]1CC1=CC=CC=C1)C1CCCCC1,"InChI=1S/C18H23NO4/c20-17(14-9-5-2-6-10-14)22-12-16-15(19-18(21)23-16)11-13-7-3-1-4-8-13/h1,3-4,7-8,14-16H,2,5-6,9-12H2,(H,19,21)/t15-,16-/m1/s1",CTJSKKXDJMXURL-HZPDHXFCSA-N,C18H23NO4,Not Found,317.385,3.638348009,1,2,6,3,AM1A RNA,This compound is an oxazolidinone analogue which has high affinity molecular effectors of RNA function that modulates the transcription antitermination function of the T box riboswitch.,16603349,,,,,,"Means J, Katz S, Nayek A, Anupam R, Hines JV, Bergmeier SC. Structure-activity studies of oxazolidinone analogs as RNA-binding agents. Bioorg Med Chem Lett. 2006 Jul 1;16(13):3600-4. doi: 10.1016/j.bmcl.2006.03.068. Epub 2006 Apr 5. PMID: 16603349.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16603349/,,,,,,Not Found,No,No,,,,
DBoRL506,Compound 4d,"[(4R,5S)-4-benzyl-3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 2-phenylacetate",COC1=CC=C(C=C1)N1[C@H](CC2=CC=CC=C2)[C@@H](COC(=O)CC2=CC=CC=C2)OC1=O,"InChI=1S/C26H25NO5/c1-30-22-14-12-21(13-15-22)27-23(16-19-8-4-2-5-9-19)24(32-26(27)29)18-31-25(28)17-20-10-6-3-7-11-20/h2-15,23-24H,16-18H2,1H3/t23-,24-/m1/s1",SQCWWIPRUWTVIF-DNQXCXABSA-N,C26H25NO5,Not Found,431.488,5.083148859,0,4,9,4,AM1A(C11U) RNA,This compound is an oxazolidinone analogue which has high affinity molecular effectors of RNA function that modulates the transcription antitermination function of the T box riboswitch.,16603349,,,,,,"Means J, Katz S, Nayek A, Anupam R, Hines JV, Bergmeier SC. Structure-activity studies of oxazolidinone analogs as RNA-binding agents. Bioorg Med Chem Lett. 2006 Jul 1;16(13):3600-4. doi: 10.1016/j.bmcl.2006.03.068. Epub 2006 Apr 5. PMID: 16603349.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16603349/,,,,,,44413266,No,No,,,,
DBoRL507,Compound 5a,"[(4R,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl 2-phenylacetate",O=C(CC1=CC=CC=C1)OC[C@H]1OC(=O)N[C@@H]1CC1=CC=CC=C1,"InChI=1S/C19H19NO4/c21-18(12-15-9-5-2-6-10-15)23-13-17-16(20-19(22)24-17)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,20,22)/t16-,17-/m1/s1",BRSHZFHRHVMZRB-IAGOWNOFSA-N,C19H19NO4,Not Found,325.364,3.359185611,1,2,7,3,AM1A(C11U) RNA,This compound is an oxazolidinone analogue which has high affinity molecular effectors of RNA function that modulates the transcription antitermination function of the T box riboswitch.,16603349,,,,,,"Means J, Katz S, Nayek A, Anupam R, Hines JV, Bergmeier SC. Structure-activity studies of oxazolidinone analogs as RNA-binding agents. Bioorg Med Chem Lett. 2006 Jul 1;16(13):3600-4. doi: 10.1016/j.bmcl.2006.03.068. Epub 2006 Apr 5. PMID: 16603349.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16603349/,,,,,,16007206,No,No,,,,
DBoRL508,Compound 5c,"[(4R,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl cyclohexanecarboxylate",O=C(OC[C@H]1OC(=O)N[C@@H]1CC1=CC=CC=C1)C1CCCCC1,"InChI=1S/C18H23NO4/c20-17(14-9-5-2-6-10-14)22-12-16-15(19-18(21)23-16)11-13-7-3-1-4-8-13/h1,3-4,7-8,14-16H,2,5-6,9-12H2,(H,19,21)/t15-,16-/m1/s1",CTJSKKXDJMXURL-HZPDHXFCSA-N,C18H23NO4,Not Found,317.385,3.638348009,1,2,6,3,AM1A(C11U) RNA,This compound is an oxazolidinone analogue which has high affinity molecular effectors of RNA function that modulates the transcription antitermination function of the T box riboswitch.,16603349,,,,,,"Means J, Katz S, Nayek A, Anupam R, Hines JV, Bergmeier SC. Structure-activity studies of oxazolidinone analogs as RNA-binding agents. Bioorg Med Chem Lett. 2006 Jul 1;16(13):3600-4. doi: 10.1016/j.bmcl.2006.03.068. Epub 2006 Apr 5. PMID: 16603349.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16603349/,,,,,,Not Found,No,No,,,,
DBoRL509,"Dimer of 2-aminoacylamino-1,8-naphthyridine","7-methyl-N-[3-({3-[(7-methyl-1,8-naphthyridin-2-yl)amino]propyl}amino)propyl]-1,8-naphthyridin-2-amine",Cc1ccc2ccc(NCCCNCCCNc3ccc4ccc(C)nc4n3)nc2n1,"InChI=1S/C24H29N7/c1-17-5-7-19-9-11-21(30-23(19)28-17)26-15-3-13-25-14-4-16-27-22-12-10-20-8-6-18(2)29-24(20)31-22/h5-12,25H,3-4,13-16H2,1-2H3,(H,26,28,30)(H,27,29,31)",NUAHCJINJWFPKG-UHFFFAOYSA-N,C24H29N7,Not Found,415.545,2.45766797,3,7,10,4,RRE RNA,"Dimer of 2-aminoacylamino-1,8-naphthyridine targets the stem-loop IIB of Rev responsible element (RRE) of HIV-1 mRNA. The stem loop is characterized by an internal loop consist of consecutive G-G and G-A mismatches, which is the single binding site for Rev protein for nuclear export of viral mRNA. The compound binds to G-G and G-A mismatches in duplex DNA also bind to the internal loop in competition with Rev peptide and lead to the dissociation of pre-formed Rev?RRE complex.",16603366,,,,,,"Nakatani K, Horie S, Goto Y, Kobori A, Hagihara S. Evaluation of mismatch-binding ligands as inhibitors for Rev-RRE interaction. Bioorg Med Chem. 2006 Aug 1;14(15):5384-8. doi: 10.1016/j.bmc.2006.03.038. Epub 2006 Apr 5. PMID: 16603366.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16603366/,,,,,,11407358,No,No,,,,
DBoRL510,"Dimer of 2-aminoacylamino-1,8-naphthyridine_azaquinolone","3-({2-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyl]ethyl}amino)-N-[(7-oxo-7,8-dihydro-1,8-naphthyridin-2-yl)methyl]propanamide",Cc1ccc2ccc(NC(=O)CCNCCC(=O)NCc3ccc4ccc(=O)[nH]c4n3)nc2n1,"InChI=1S/C24H25N7O3/c1-15-2-3-16-5-8-19(30-23(16)27-15)29-22(34)11-13-25-12-10-20(32)26-14-18-7-4-17-6-9-21(33)31-24(17)28-18/h2-9,25H,10-14H2,1H3,(H,26,32)(H,28,31,33)(H,27,29,30,34)",BWINWCKASXYPFA-UHFFFAOYSA-N,C24H25N7O3,Not Found,459.51,,4,7,9,4,RRE RNA,"Dimer of 2-aminoacylamino-1,8-naphthyridine_azaquinolone targets the stem-loop IIB of Rev responsible element (RRE) of HIV-1 mRNA. The stem loop is characterized by an internal loop consist of consecutive G-G and G-A mismatches, which is the single binding site for Rev protein for nuclear export of viral mRNA. The compound binds to G-G and G-A mismatches in duplex DNA also bind to the internal loop in competition with Rev peptide and lead to the dissociation of pre-formed Rev?RRE complex.",16603366,,,,,,"Nakatani K, Horie S, Goto Y, Kobori A, Hagihara S. Evaluation of mismatch-binding ligands as inhibitors for Rev-RRE interaction. Bioorg Med Chem. 2006 Aug 1;14(15):5384-8. doi: 10.1016/j.bmc.2006.03.038. Epub 2006 Apr 5. PMID: 16603366.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16603366/,,,,,,5497094,No,No,,,,
DBoRL511,"2,6-Diaminopurine","7H-purine-2,6-diamine",Nc1nc(N)c2[nH]cnc2n1,"InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)",MSSXOMSJDRHRMC-UHFFFAOYSA-N,C5H6N6,"1904-98-9,133762-79-5",150.145,-0.723610163,3,5,0,2,"Adenine Riboswitch, Guanine Riboswitch.","2,6-diaminopurine-bound structure of a C74U mutant of the xpt-pbuX guanine riboswitch, along with a detailed thermodynamic and kinetic analysis of nucleobase recognition by both the native and mutant riboswitches. 2,6-diaminopurine (DAP) has the ability of the purine riboswitch to discriminate between guanine and adenine resides entirely within Y74 rather than structural differences outside this site. DAP was chosen for its ability to form three hydrogen bonds to uracil (through the addition of an amino group on the 2 position) in a manner similar to guanine binding cytosine, in order to mimic guanine binding by the wild-type RNA more closely.",16650860,,,,,,"Gilbert SD, Stoddard CD, Wise SJ, Batey RT. Thermodynamic and kinetic characterization of ligand binding to the purine riboswitch aptamer domain. J Mol Biol. 2006 Jun 9;359(3):754-68. doi: 10.1016/j.jmb.2006.04.003. Epub 2006 Apr 21. Erratum in: J Mol Biol. 2006 Oct 20;363(2):624. PMID: 16650860.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16650860/,,,,,,30976,No,No,,,,
DBoRL512,7-Deazaguanine,"2-amino-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one",Nc1nc2[nH]ccc2c(=O)[nH]1,"InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H4,7,8,9,10,11)",OLAFFPNXVJANFR-UHFFFAOYSA-N,C6H6N4O,"7355-55-7,41687-92-7",150.141,-0.333763244,3,3,0,2,guanine riboswitch aptamer from B. subtilis,"7-Deazaguanine, a purine analogue that binds to guanine riboswitch aptamer from B. subtilis and regulate gene expression.",16650860,,,,,,"Gilbert SD, Stoddard CD, Wise SJ, Batey RT. Thermodynamic and kinetic characterization of ligand binding to the purine riboswitch aptamer domain. J Mol Biol. 2006 Jun 9;359(3):754-68. doi: 10.1016/j.jmb.2006.04.003. Epub 2006 Apr 21. Erratum in: J Mol Biol. 2006 Oct 20;363(2):624. PMID: 16650860.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16650860/,,,,,,135408714,No,No,,,,
DBoRL513,palmatine,"3,4,10,11-tetramethoxy-7,8-dihydro-6??-azatetraphen-6-ylium",COC1=CC2=C(C=C1OC)C1=CC3=CC=C(OC)C(OC)=C3C=[N+]1CC2,"InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1",QUCQEUCGKKTEBI-UHFFFAOYSA-N,C21H22NO4,3486-67-7,352.409,-1.221888285,0,4,4,4,ds Poly(A),Protoberberine alkaloid palmatine (cytotoxic plant alkaloid) interacts with single and double stranded structures of poly(A) & work as interacting agent.,16678250,,,,,,"Giri P, Hossain M, Kumar GS. Molecular aspects on the specific interaction of cytotoxic plant alkaloid palmatine to poly(A). Int J Biol Macromol. 2006 Nov 15;39(4-5):210-21. doi: 10.1016/j.ijbiomac.2006.03.026. Epub 2006 Apr 3. PMID: 16678250.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16678250/,,,,,,19009,No,No,,,,
DBoRL514,Lividomycin,"(3S,4S,5S,6R)-2-{[(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,4R,5S)-5-{[(2R,3S,5R,6S)-3,5-diamino-2-{[(2R,5R,6S)-3-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl]oxy}-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}-4-hydroxyoxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol",NC[C@@H]1O[C@H](OC2[C@@H](CO)O[C@@H](OC3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@@H]3O[C@@H](CO)[C@H](O)CC3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C29H55N5O18/c30-3-11-23(51-28-20(43)19(42)17(40)13(5-36)47-28)18(41)15(34)27(45-11)50-24-14(6-37)48-29(21(24)44)52-25-16(39)7(31)1-8(32)22(25)49-26-9(33)2-10(38)12(4-35)46-26/h7-29,35-44H,1-6,30-34H2/t7-,8+,9?,10-,11+,12+,13-,14-,15-,16+,17-,18-,19+,20+,21-,22-,23-,24?,25?,26+,27-,28?,29+/m1/s1",DBLVDAUGBTYDFR-RPDAFRIISA-N,C29H55N5O18,Not Found,761.776,-9.388836914,15,23,12,5,2FD0 HIV-1 DIS RNA,Binding of lividomycin strongly stabilizes the kissing-loop complex by bridging the two HIV-1 RNA molecules.,16679451,,,,,,"Ennifar E, Paillart JC, Bodlenner A, Walter P, Weibel JM, Aubertin AM, Pale P, Dumas P, Marquet R. Targeting the dimerization initiation site of HIV-1 RNA with aminoglycosides: from crystal to cell. Nucleic Acids Res. 2006 May 5;34(8):2328-39. doi: 10.1093/nar/gkl317. PMID: 16679451; PMCID: PMC1458285.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16679451/,,,,,,Not Found,Yes,No,Experimental,DB04728,https://go.drugbank.com/drugs/DB04728,This is the isomeric form of the drug approved by USFDA.
DBoRL515,Neomycin,"(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}oxane-3,4-diol",NC[C@H]1O[C@H](OC2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,"InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11?,12-/m1/s1",SYJXFKPQNSDJLI-QGTAOGGZSA-N,C12H26N4O6,Not Found,322.362,-5.290077803,8,10,3,2,2FCY HIV-1 DIS RNA,Binding of neomycin strongly stabilizes the kissing-loop complex by bridging the two HIV-1 RNA molecules. Neomycin binds to the subtype B DIS loop under ionic conditions in which the monomeric form of HIV-1 RNA prevails.,16679451,,,,,,"Ennifar E, Paillart JC, Bodlenner A, Walter P, Weibel JM, Aubertin AM, Pale P, Dumas P, Marquet R. Targeting the dimerization initiation site of HIV-1 RNA with aminoglycosides: from crystal to cell. Nucleic Acids Res. 2006 May 5;34(8):2328-39. doi: 10.1093/nar/gkl317. PMID: 16679451; PMCID: PMC1458285.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16679451/,,,,,,Not Found,Yes,No,Experimental,DB04808,https://go.drugbank.com/drugs/DB04808,
DBoRL516,Neamine,"(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}oxane-3,4-diol",NC[C@H]1O[C@H](OC2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,"InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11?,12-/m1/s1",SYJXFKPQNSDJLI-QGTAOGGZSA-N,C12H26N4O6,Not Found,322.362,-5.290077803,8,10,3,2,2FCx HIV-1 DIS RNA,Neamine has also a higher affinity than ribostamycin for the ribosomal A site (30). Neamine disubstituted DOS to the HIV-1 kissing-loop complex.,16679451,,,,,,"Ennifar E, Paillart JC, Bodlenner A, Walter P, Weibel JM, Aubertin AM, Pale P, Dumas P, Marquet R. Targeting the dimerization initiation site of HIV-1 RNA with aminoglycosides: from crystal to cell. Nucleic Acids Res. 2006 May 5;34(8):2328-39. doi: 10.1093/nar/gkl317. PMID: 16679451; PMCID: PMC1458285.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16679451/,,,,,,Not Found,Yes,No,Experimental,DB04808,https://go.drugbank.com/drugs/DB04808,
DBoRL517,Ribostamycin,"(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2-{[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl]oxy}oxane-3,4-diol",NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2OC2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,"InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17?/m1/s1",NSKGQURZWSPSBC-IOEFKOJYSA-N,C17H34N4O10,Not Found,454.477,-6.430578507,10,14,6,3,2FCZ HIV-1 DIS RNA,"Ribostamycin has the specificity for 4,5-disubstituted 2-deoxystreptamine (DOS) derivatives and for subtype A and subtype F kissing-loop complexes, and provide a strong basis for rational drug design for HIV-1 RNA molecules.",16679451,,,,,,"Ennifar E, Paillart JC, Bodlenner A, Walter P, Weibel JM, Aubertin AM, Pale P, Dumas P, Marquet R. Targeting the dimerization initiation site of HIV-1 RNA with aminoglycosides: from crystal to cell. Nucleic Acids Res. 2006 May 5;34(8):2328-39. doi: 10.1093/nar/gkl317. PMID: 16679451; PMCID: PMC1458285.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16679451/,,,,,,53486171,Yes,Yes,Experimental,DB03615,https://go.drugbank.com/drugs/DB03615,
DBoRL518,Antibiotic GE 2270A,"1-[2-(2-{35-[hydroxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[(methylcarbamoyl)methyl]-16,23,30,33-tetraoxo-25-(propan-2-yl)-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decaazaheptacyclo[34.2.1.1?,?.1??,??.1??,??.1??,??.0?,??]tritetraconta-1(38),2(43),4,6,8,10,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl}-1,3-thiazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide",CNC(=O)CC1NC(=O)c2csc(n2)-c2ccc(-c3nc(C4=NC(C(=O)N5CCCC5C(N)=O)CO4)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)C(C(C)C)NC(=O)c2nc1sc2C,"InChI=1/C56H55N15O10S6/c1-24(2)39-55-70-42(36(87-55)19-80-5)47(77)59-17-38(73)67-43(44(74)26-10-7-6-8-11-26)54-66-34(23-85-54)52-63-31(20-83-52)41-27(50-64-32(21-82-50)46(76)61-29(16-37(72)58-4)53-69-40(25(3)86-53)48(78)68-39)13-14-28(60-41)51-65-33(22-84-51)49-62-30(18-81-49)56(79)71-15-9-12-35(71)45(57)75/h6-8,10-11,13-14,20-24,29-30,35,39,43-44,74H,9,12,15-19H2,1-5H3,(H2,57,75)(H,58,72)(H,59,77)(H,61,76)(H,67,73)(H,68,78)",JMDULECOHIXMNX-UHFFFAOYNA-N,C56H55N15O10S6,Not Found,1290.51,4.268490691,7,17,11,11,EF-Tu GE 2270A,"GE2270 A, a domain 2-bound antibiotic, interferes with the binding of the 3?-aminoacyl group and part of the acceptor stem of aa-tRNA but not with the 5? end.",16734421,,,,,,"Parmeggiani A, Krab IM, Okamura S, Nielsen RC, Nyborg J, Nissen P. Structural basis of the action of pulvomycin and GE2270 A on elongation factor Tu. Biochemistry. 2006 Jun 6;45(22):6846-57. doi: 10.1021/bi0525122. PMID: 16734421.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16734421/,,,,,,16129640,Yes,No,Experimental,DB02975,https://go.drugbank.com/drugs/DB02975,
DBoRL519,Amikacin,"4-amino-N-(5-amino-2-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxycyclohexyl)-2-hydroxybutanamide",NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)",LKCWBDHBTVXHDL-UHFFFAOYNA-N,C22H43N5O13,Not Found,585.608,-8.584382674,13,17,10,3,Ribosomal RNA A-site,"This compound is the 4,6-linked aminoglycoside modified at position N1 of the 2-deoxystreptamine ring (ring II) by the ?-amino-?-hydroxybutyryl (L-haba) group. Amikacin specifically binds to the A site in practically the same way as its parent compound kanamycin. Additionally, the L-haba group interacts with the upper side of the A site through two direct contacts, O2*?H?N4(C1496) and N4*?H?O6(G1497). The L-haba group on ring II of aminoglycoside is an effective mutation for obtaining a higher affinity to the bacterial A site.",16806634,,,,,,"Kondo J, Fran?ois B, Russell RJ, Murray JB, Westhof E. Crystal structure of the bacterial ribosomal decoding site complexed with amikacin containing the gamma-amino-alpha-hydroxybutyryl (haba) group. Biochimie. 2006 Aug;88(8):1027-31. doi: 10.1016/j.biochi.2006.05.017. Epub 2006 Jun 13. PMID: 16806634.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16806634/,,,,,,2142,Yes,Yes,Investigational Vet_approved,DB00479,https://go.drugbank.com/drugs/DB00479,
DBoRL520,S-adenosyl methionine,"(3-amino-3-carboxypropyl)({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl})methylsulfanium",C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,"InChI=1/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1",MEFKEPWMEQBLKI-UHFFFAOYNA-O,C15H23N6O5S,Not Found,399.45,-5.322770594,5,10,7,3,Riboswitch,S-adenosylmethionine is a riboswitch regulatory mRNA element. S-adenosylmethionine controls the expression of several genes involved in sulphur and methionine metabolism.,16810258,,,,,,"Montange RK, Batey RT. Structure of the S-adenosylmethionine riboswitch regulatory mRNA element. Nature. 2006 Jun 29;441(7097):1172-5. doi: 10.1038/nature04819. PMID: 16810258.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16810258/,,,,,,1079,Yes,Yes,Investigational Nutraceutical,DB00118,https://go.drugbank.com/drugs/DB00118,
DBoRL521,4-AA,"2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]-N-{2-[2-(6-amino-9H-purin-9-yl)-N-[({2-[2-(6-amino-9H-purin-9-yl)-N-(carbamoylmethyl)acetamido]ethyl}carbamoyl)methyl]acetamido]ethyl}acetamide",NCC1OC(OC2C(CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)CN3C=NC4=C3N=CN=C4N)C(=O)CN3C=NC4=C3N=CN=C4N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C53H87N21O17S2/c54-12-26-39(81)41(83)34(59)51(86-26)89-44-25(57)11-24(56)38(80)46(44)91-53-43(85)45(90-52-35(60)42(84)40(82)27(13-55)87-52)28(88-53)18-92-9-3-1-2-4-10-93-19-31(77)64-6-8-72(33(79)17-74-23-70-37-48(62)66-21-68-50(37)74)15-30(76)63-5-7-71(14-29(58)75)32(78)16-73-22-69-36-47(61)65-20-67-49(36)73/h20-28,34-35,38-46,51-53,80-85H,1-19,54-57,59-60H2,(H2,58,75)(H,63,76)(H,64,77)(H2,61,65,67)(H2,62,66,68)",DGXPGPFGABTGBT-UHFFFAOYNA-N,C53H87N21O17S2,Not Found,1354.53,-11.19354547,17,31,33,8,tRNA,4-AA binds with tRNA and interferes with translation process.,16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL522,4-AT,"2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]-N-(2-{N-[({2-[2-(6-amino-9H-purin-9-yl)-N-(carbamoylmethyl)acetamido]ethyl}carbamoyl)methyl]-2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido}ethyl)acetamide",CC1=CN(CC(=O)N(CCNC(=O)CSCCCCCCSCC2OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C(O)C2OC2OC(CN)C(O)C(O)C2N)CC(=O)NCCN(CC(N)=O)C(=O)CN2C=NC3=C2N=CN=C3N)C(=O)NC1=O,"InChI=1/C53H88N18O19S2/c1-24-15-70(53(84)67-49(24)83)18-33(75)69(17-31(73)62-6-8-68(16-30(58)72)34(76)19-71-23-66-37-47(61)64-22-65-48(37)71)9-7-63-32(74)21-92-11-5-3-2-4-10-91-20-29-45(89-51-36(60)42(81)40(79)28(14-55)86-51)43(82)52(87-29)90-46-38(77)25(56)12-26(57)44(46)88-50-35(59)41(80)39(78)27(13-54)85-50/h15,22-23,25-29,35-36,38-46,50-52,77-82H,2-14,16-21,54-57,59-60H2,1H3,(H2,58,72)(H,62,73)(H,63,74)(H2,61,64,65)(H,67,83,84)",MUMYIGYHLCDDHS-UHFFFAOYNA-N,C53H88N18O19S2,Not Found,1345.51,-11.12227325,17,29,33,7,tRNA,4-AT binds with tRNA and interferes with translation process.,16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL523,4-CA,"2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]-N-{2-[2-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-N-[(ethylcarbamoyl)methyl]acetamido]ethyl}acetamide",CCNC(=O)CN(CCNC(=O)CSCCCCCCSCC1OC(OC2C(O)C(N)CC(N)C2OC2OC(CN)C(O)C(O)C2N)C(O)C1OC1OC(CN)C(O)C(O)C1N)C(=O)CN1C=NC2=C1N=C(N)NC2=O,"InChI=1/C44H78N14O16S2/c1-2-52-24(59)14-57(26(61)15-58-18-54-29-39(58)55-44(51)56-40(29)68)8-7-53-25(60)17-76-10-6-4-3-5-9-75-16-23-37(73-42-28(50)34(66)32(64)22(13-46)70-42)35(67)43(71-23)74-38-30(62)19(47)11-20(48)36(38)72-41-27(49)33(65)31(63)21(12-45)69-41/h18-23,27-28,30-38,41-43,62-67H,2-17,45-50H2,1H3,(H,52,59)(H,53,60)(H3,51,55,56,68)",UGLHXSLWMUFDQP-UHFFFAOYNA-N,C44H78N14O16S2,Not Found,1123.31,-9.106859569,16,25,27,6,tRNA,4-CA binds with tRNA and interferes with translation process.,16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL524,4-GA,"2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]-N-(2-{N-[({2-[2-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-N-(carbamoylmethyl)acetamido]ethyl}carbamoyl)methyl]-2-(6-amino-9H-purin-9-yl)acetamido}ethyl)acetamide",NCC1OC(OC2C(CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)CN3C=NC4=C3N=C(N)NC4=O)C(=O)CN3C=NC4=C3N=CN=C4N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C53H87N21O18S2/c54-12-25-38(81)40(83)33(59)50(87-25)90-43-24(57)11-23(56)37(80)45(43)92-52-42(85)44(91-51-34(60)41(84)39(82)26(13-55)88-51)27(89-52)18-93-9-3-1-2-4-10-94-19-30(77)64-6-8-72(32(79)16-73-21-67-35-46(61)65-20-66-47(35)73)15-29(76)63-5-7-71(14-28(58)75)31(78)17-74-22-68-36-48(74)69-53(62)70-49(36)86/h20-27,33-34,37-45,50-52,80-85H,1-19,54-57,59-60H2,(H2,58,75)(H,63,76)(H,64,77)(H2,61,65,66)(H3,62,69,70,86)",BNVXTQJFWNLWGO-UHFFFAOYNA-N,C53H87N21O18S2,Not Found,1370.53,-11.8087998,18,31,33,8,tRNA,4-GA binds with tRNA and interferes with translation process.,16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL525,4-GG,"2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]-N-{2-[2-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-N-[({2-[2-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-N-(carbamoylmethyl)acetamido]ethyl}carbamoyl)methyl]acetamido]ethyl}acetamide",NCC1OC(OC2C(CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)CN3C=NC4=C3N=C(N)NC4=O)C(=O)CN3C=NC4=C3N=C(N)NC4=O)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C53H87N21O19S2/c54-12-24-37(81)39(83)32(59)49(88-24)91-42-23(57)11-22(56)36(80)44(42)93-51-41(85)43(92-50-33(60)40(84)38(82)25(13-55)89-50)26(90-51)18-94-9-3-1-2-4-10-95-19-29(77)64-6-8-72(31(79)17-74-21-66-35-46(74)68-53(62)70-48(35)87)15-28(76)63-5-7-71(14-27(58)75)30(78)16-73-20-65-34-45(73)67-52(61)69-47(34)86/h20-26,32-33,36-44,49-51,80-85H,1-19,54-57,59-60H2,(H2,58,75)(H,63,76)(H,64,77)(H3,61,67,69,86)(H3,62,68,70,87)",AMYWMUBDYVYARN-UHFFFAOYNA-N,C53H87N21O19S2,Not Found,1386.53,-12.94579228,19,31,33,8,tRNA,4-GG binds with tRNA and interferes with translation process.,16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL526,4-TG,"2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]-N-{2-[2-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-N-[({2-[N-(carbamoylmethyl)-2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido]ethyl}carbamoyl)methyl]acetamido]ethyl}acetamide",CC1=CN(CC(=O)N(CCNC(=O)CN(CCNC(=O)CSCCCCCCSCC2OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C(O)C2OC2OC(CN)C(O)C(O)C2N)C(=O)CN2C=NC3=C2N=C(N)NC3=O)CC(N)=O)C(=O)NC1=O,"InChI=1/C53H88N18O20S2/c1-23-15-70(53(85)67-47(23)83)18-32(75)68(16-29(58)72)8-6-62-30(73)17-69(33(76)19-71-22-64-36-46(71)65-52(61)66-48(36)84)9-7-63-31(74)21-93-11-5-3-2-4-10-92-20-28-44(90-50-35(60)41(81)39(79)27(14-55)87-50)42(82)51(88-28)91-45-37(77)24(56)12-25(57)43(45)89-49-34(59)40(80)38(78)26(13-54)86-49/h15,22,24-28,34-35,37-45,49-51,77-82H,2-14,16-21,54-57,59-60H2,1H3,(H2,58,72)(H,62,73)(H,63,74)(H,67,83,85)(H3,61,65,66,84)",FCAYJFWJPAJPCA-UHFFFAOYNA-N,C53H88N18O20S2,Not Found,1361.51,-12.3732029,18,29,33,7,tRNA,4-TG binds with tRNA and interferes with translation process.,16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL527,4-AA,"2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]-N-{2-[2-(6-amino-9H-purin-9-yl)-N-[({2-[2-(6-amino-9H-purin-9-yl)-N-(carbamoylmethyl)acetamido]ethyl}carbamoyl)methyl]acetamido]ethyl}acetamide",NCC1OC(OC2C(CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn3cnc4c(N)ncnc43)C(=O)Cn3cnc4c(N)ncnc43)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C53H87N21O17S2/c54-12-26-39(81)41(83)34(59)51(86-26)89-44-25(57)11-24(56)38(80)46(44)91-53-43(85)45(90-52-35(60)42(84)40(82)27(13-55)87-52)28(88-53)18-92-9-3-1-2-4-10-93-19-31(77)64-6-8-72(33(79)17-74-23-70-37-48(62)66-21-68-50(37)74)15-30(76)63-5-7-71(14-29(58)75)32(78)16-73-22-69-36-47(61)65-20-67-49(36)73/h20-28,34-35,38-46,51-53,80-85H,1-19,54-57,59-60H2,(H2,58,75)(H,63,76)(H,64,77)(H2,61,65,67)(H2,62,66,68)",DGXPGPFGABTGBT-UHFFFAOYNA-N,C53H87N21O17S2,Not Found,1354.53,-11.19354547,17,31,33,8,RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. 4-AA is a selective RNA binding agent that selectively binds to RRE RNA and blocks Rev-RRE interaction, which results the inhibition of virus replication.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL528,4-AC,"N-{2-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-N-[({2-[2-(6-amino-9H-purin-9-yl)-N-(carbamoylmethyl)acetamido]ethyl}carbamoyl)methyl]acetamido]ethyl}-2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]acetamide",NCC1OC(OC2C(CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn3cnc4c(N)ncnc43)C(=O)Cn3ccc(N)nc3=O)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C52H87N19O18S2/c53-14-26-39(78)41(80)35(59)49(84-26)87-44-25(56)13-24(55)38(77)46(44)89-51-43(82)45(88-50-36(60)42(81)40(79)27(15-54)85-50)28(86-51)20-90-11-3-1-2-4-12-91-21-32(74)63-7-10-69(33(75)18-70-8-5-29(57)67-52(70)83)17-31(73)62-6-9-68(16-30(58)72)34(76)19-71-23-66-37-47(61)64-22-65-48(37)71/h5,8,22-28,35-36,38-46,49-51,77-82H,1-4,6-7,9-21,53-56,59-60H2,(H2,58,72)(H,62,73)(H,63,74)(H2,57,67,83)(H2,61,64,65)",IDWDICFMVYKCME-UHFFFAOYNA-N,C52H87N19O18S2,Not Found,1330.5,-11.90009888,17,30,33,7,RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. 4-AC is a selective RNA binding agent that selectively binds to RRE RNA and blocks Rev-RRE interaction, which results the inhibition of virus replication.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL529,4-AG,"2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]-N-{2-[2-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-N-[({2-[2-(6-amino-9H-purin-9-yl)-N-(carbamoylmethyl)acetamido]ethyl}carbamoyl)methyl]acetamido]ethyl}acetamide",NCC1OC(OC2C(CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn3cnc4c(N)ncnc43)C(=O)Cn3cnc4c(=O)[nH]c(N)nc43)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C53H87N21O18S2/c54-12-25-38(81)40(83)33(59)50(87-25)90-43-24(57)11-23(56)37(80)45(43)92-52-42(85)44(91-51-34(60)41(84)39(82)26(13-55)88-51)27(89-52)18-93-9-3-1-2-4-10-94-19-30(77)64-6-8-72(32(79)17-74-22-68-36-48(74)69-53(62)70-49(36)86)15-29(76)63-5-7-71(14-28(58)75)31(78)16-73-21-67-35-46(61)65-20-66-47(35)73/h20-27,33-34,37-45,50-52,80-85H,1-19,54-57,59-60H2,(H2,58,75)(H,63,76)(H,64,77)(H2,61,65,66)(H3,62,69,70,86)",KQMUPQSCCUJMAU-UHFFFAOYNA-N,C53H87N21O18S2,Not Found,1370.53,-11.8087998,18,31,33,8,RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. 4-AG is a selective RNA binding agent that selectively binds to RRE RNA and blocks Rev-RRE interaction, which results the inhibition of virus replication.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL530,4-AT,"2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]-N-(2-{N-[({2-[2-(6-amino-9H-purin-9-yl)-N-(carbamoylmethyl)acetamido]ethyl}carbamoyl)methyl]-2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido}ethyl)acetamide",Cc1cn(CC(=O)N(CCNC(=O)CSCCCCCCSCC2OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C(O)C2OC2OC(CN)C(O)C(O)C2N)CC(=O)NCCN(CC(N)=O)C(=O)Cn2cnc3c(N)ncnc32)c(=O)[nH]c1=O,"InChI=1/C53H88N18O19S2/c1-24-15-70(53(84)67-49(24)83)18-33(75)69(17-31(73)62-6-8-68(16-30(58)72)34(76)19-71-23-66-37-47(61)64-22-65-48(37)71)9-7-63-32(74)21-92-11-5-3-2-4-10-91-20-29-45(89-51-36(60)42(81)40(79)28(14-55)86-51)43(82)52(87-29)90-46-38(77)25(56)12-26(57)44(46)88-50-35(59)41(80)39(78)27(13-54)85-50/h15,22-23,25-29,35-36,38-46,50-52,77-82H,2-14,16-21,54-57,59-60H2,1H3,(H2,58,72)(H,62,73)(H,63,74)(H2,61,64,65)(H,67,83,84)",MUMYIGYHLCDDHS-UHFFFAOYNA-N,C53H88N18O19S2,Not Found,1345.51,-11.12227325,17,29,33,7,RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. 4-AT is a selective RNA binding agent that selectively binds to RRE RNA and blocks Rev-RRE interaction, which results the inhibition of virus replication.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL531,4-CA,"N-[2-(2-{4-amino-1H-imidazo[4,5-d]pyridazin-1-yl}-N-[({2-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-N-(carbamoylmethyl)acetamido]ethyl}carbamoyl)methyl]acetamido)ethyl]-2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]acetamide",NCC1OC(OC2C(CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn3ccc(N)nc3=O)C(=O)Cn3cnc4c(N)nncc43)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C52H87N19O18S2/c53-14-27-40(78)42(80)36(59)49(84-27)87-45-25(56)13-24(55)39(77)47(45)89-51-44(82)46(88-50-37(60)43(81)41(79)28(15-54)85-50)29(86-51)21-90-11-3-1-2-4-12-91-22-33(74)63-7-10-69(35(76)20-71-23-64-38-26(71)16-65-67-48(38)61)18-32(73)62-6-9-68(17-31(58)72)34(75)19-70-8-5-30(57)66-52(70)83/h5,8,16,23-25,27-29,36-37,39-47,49-51,77-82H,1-4,6-7,9-15,17-22,53-56,59-60H2,(H2,58,72)(H2,61,67)(H,62,73)(H,63,74)(H2,57,66,83)",RMDKOBZXFRFPHJ-UHFFFAOYNA-N,C52H87N19O18S2,Not Found,1330.5,-12.54149296,17,30,33,7,RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. 4-CA is a selective RNA binding agent that selectively binds to RRE RNA and blocks Rev-RRE interaction, which results the inhibition of virus replication.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL532,4-CC,"N-{2-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-N-[({2-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-N-(carbamoylmethyl)acetamido]ethyl}carbamoyl)methyl]acetamido]ethyl}-2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]acetamide",NCC1OC(OC2C(CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn3ccc(N)nc3=O)C(=O)Cn3ccc(N)nc3=O)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C51H87N17O19S2/c52-16-26-39(75)41(77)36(59)47(82-26)85-44-25(55)15-24(54)38(74)46(44)87-49-43(79)45(86-48-37(60)42(78)40(76)27(17-53)83-48)28(84-49)22-88-13-3-1-2-4-14-89-23-33(71)62-8-12-66(35(73)21-68-10-6-30(57)64-51(68)81)19-32(70)61-7-11-65(18-31(58)69)34(72)20-67-9-5-29(56)63-50(67)80/h5-6,9-10,24-28,36-49,74-79H,1-4,7-8,11-23,52-55,59-60H2,(H2,58,69)(H,61,70)(H,62,71)(H2,56,63,80)(H2,57,64,81)",AGTWWQQSEMZDQK-UHFFFAOYNA-N,C51H87N17O19S2,Not Found,1306.48,-12.6066523,17,29,33,6,RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. 4-CC is a selective RNA binding agent that selectively binds to RRE RNA and blocks Rev-RRE interaction, which results the inhibition of virus replication.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL533,4-CG,"N-(2-{N-[({2-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-N-(carbamoylmethyl)acetamido]ethyl}carbamoyl)methyl]-2-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)acetamido}ethyl)-2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]acetamide",NCC1OC(OC2C(CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn3ccc(N)nc3=O)C(=O)Cn3cnc4c(=O)[nH]c(N)nc43)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C52H87N19O19S2/c53-14-25-38(78)40(80)34(59)48(85-25)88-43-24(56)13-23(55)37(77)45(43)90-50-42(82)44(89-49-35(60)41(81)39(79)26(15-54)86-49)27(87-50)20-91-11-3-1-2-4-12-92-21-31(74)63-7-10-69(33(76)19-71-22-64-36-46(71)66-51(61)67-47(36)83)17-30(73)62-6-9-68(16-29(58)72)32(75)18-70-8-5-28(57)65-52(70)84/h5,8,22-27,34-35,37-45,48-50,77-82H,1-4,6-7,9-21,53-56,59-60H2,(H2,58,72)(H,62,73)(H,63,74)(H2,57,65,84)(H3,61,66,67,83)",GYOAEEKZSOTTIE-UHFFFAOYNA-N,C52H87N19O19S2,Not Found,1346.5,-12.85777634,18,30,33,7,RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. 4-CG is a selective RNA binding agent that selectively binds to RRE RNA and blocks Rev-RRE interaction, which results the inhibition of virus replication.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL534,4-CT,"N-(2-{N-[({2-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-N-(carbamoylmethyl)acetamido]ethyl}carbamoyl)methyl]-2-(4-amino-5-methyl-2-oxo-1,2-dihydropyrimidin-1-yl)acetamido}ethyl)-2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]acetamide",Cc1cn(CC(=O)N(CCNC(=O)CSCCCCCCSCC2OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C(O)C2OC2OC(CN)C(O)C(O)C2N)CC(=O)NCCN(CC(N)=O)C(=O)Cn2ccc(N)nc2=O)c(=O)nc1N,"InChI=1/C52H89N17O19S2/c1-24-17-69(52(82)65-47(24)61)21-35(74)67(19-32(71)62-7-10-66(18-31(58)70)34(73)20-68-9-6-30(57)64-51(68)81)11-8-63-33(72)23-90-13-5-3-2-4-12-89-22-29-45(87-49-37(60)42(79)40(77)28(16-54)84-49)43(80)50(85-29)88-46-38(75)25(55)14-26(56)44(46)86-48-36(59)41(78)39(76)27(15-53)83-48/h6,9,17,25-29,36-46,48-50,75-80H,2-5,7-8,10-16,18-23,53-56,59-60H2,1H3,(H2,58,70)(H,62,71)(H,63,72)(H2,57,64,81)(H2,61,65,82)",JQIWGMXEMFUARP-UHFFFAOYNA-N,C52H89N17O19S2,Not Found,1320.5,-12.21110181,17,29,33,6,RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. 4-CT is a selective RNA binding agent that selectively binds to RRE RNA and blocks Rev-RRE interaction, which results the inhibition of virus replication.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL535,4-GA,"2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]-N-(2-{N-[({2-[2-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-N-(carbamoylmethyl)acetamido]ethyl}carbamoyl)methyl]-2-(6-amino-9H-purin-9-yl)acetamido}ethyl)acetamide",NCC1OC(OC2C(CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn3cnc4c(=O)[nH]c(N)nc43)C(=O)Cn3cnc4c(N)ncnc43)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C53H87N21O18S2/c54-12-25-38(81)40(83)33(59)50(87-25)90-43-24(57)11-23(56)37(80)45(43)92-52-42(85)44(91-51-34(60)41(84)39(82)26(13-55)88-51)27(89-52)18-93-9-3-1-2-4-10-94-19-30(77)64-6-8-72(32(79)16-73-21-67-35-46(61)65-20-66-47(35)73)15-29(76)63-5-7-71(14-28(58)75)31(78)17-74-22-68-36-48(74)69-53(62)70-49(36)86/h20-27,33-34,37-45,50-52,80-85H,1-19,54-57,59-60H2,(H2,58,75)(H,63,76)(H,64,77)(H2,61,65,66)(H3,62,69,70,86)",BNVXTQJFWNLWGO-UHFFFAOYNA-N,C53H87N21O18S2,Not Found,1370.53,-11.8087998,18,31,33,8,RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. 4-GA is a selective RNA binding agent that selectively binds to RRE RNA and blocks Rev-RRE interaction, which results the inhibition of virus replication.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL536,4-GC,"N-{2-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-N-[({2-[2-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-N-(carbamoylmethyl)acetamido]ethyl}carbamoyl)methyl]acetamido]ethyl}-2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]acetamide",NCC1OC(OC2C(CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn3cnc4c(=O)[nH]c(N)nc43)C(=O)Cn3ccc(N)nc3=O)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C52H87N19O19S2/c53-14-25-38(78)40(80)34(59)48(85-25)88-43-24(56)13-23(55)37(77)45(43)90-50-42(82)44(89-49-35(60)41(81)39(79)26(15-54)86-49)27(87-50)20-91-11-3-1-2-4-12-92-21-31(74)63-7-10-69(32(75)18-70-8-5-28(57)65-52(70)84)17-30(73)62-6-9-68(16-29(58)72)33(76)19-71-22-64-36-46(71)66-51(61)67-47(36)83/h5,8,22-27,34-35,37-45,48-50,77-82H,1-4,6-7,9-21,53-56,59-60H2,(H2,58,72)(H,62,73)(H,63,74)(H2,57,65,84)(H3,61,66,67,83)",BBHPEVKIKXWNDJ-UHFFFAOYNA-N,C52H87N19O19S2,Not Found,1346.5,-12.85777634,18,30,33,7,RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. 4-GC is a selective RNA binding agent that selectively binds to RRE RNA and blocks Rev-RRE interaction, which results the inhibition of virus replication.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL537,4-GG,"2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]-N-{2-[2-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-N-[({2-[2-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-N-(carbamoylmethyl)acetamido]ethyl}carbamoyl)methyl]acetamido]ethyl}acetamide",NCC1OC(OC2C(CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn3cnc4c(=O)[nH]c(N)nc43)C(=O)Cn3cnc4c(=O)[nH]c(N)nc43)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C53H87N21O19S2/c54-12-24-37(81)39(83)32(59)49(88-24)91-42-23(57)11-22(56)36(80)44(42)93-51-41(85)43(92-50-33(60)40(84)38(82)25(13-55)89-50)26(90-51)18-94-9-3-1-2-4-10-95-19-29(77)64-6-8-72(31(79)17-74-21-66-35-46(74)68-53(62)70-48(35)87)15-28(76)63-5-7-71(14-27(58)75)30(78)16-73-20-65-34-45(73)67-52(61)69-47(34)86/h20-26,32-33,36-44,49-51,80-85H,1-19,54-57,59-60H2,(H2,58,75)(H,63,76)(H,64,77)(H3,61,67,69,86)(H3,62,68,70,87)",AMYWMUBDYVYARN-UHFFFAOYNA-N,C53H87N21O19S2,Not Found,1386.53,-12.94579228,19,31,33,8,RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. 4-GG is a selective RNA binding agent that selectively binds to RRE RNA and blocks Rev-RRE interaction, which results the inhibition of virus replication.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL538,4-GT,"2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]-N-(2-{N-[({2-[2-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-N-(carbamoylmethyl)acetamido]ethyl}carbamoyl)methyl]-2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido}ethyl)acetamide",Cc1cn(CC(=O)N(CCNC(=O)CSCCCCCCSCC2OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C(O)C2OC2OC(CN)C(O)C(O)C2N)CC(=O)NCCN(CC(N)=O)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)c(=O)[nH]c1=O,"InChI=1/C53H88N18O20S2/c1-23-15-70(53(85)67-47(23)83)18-32(75)69(17-30(73)62-6-8-68(16-29(58)72)33(76)19-71-22-64-36-46(71)65-52(61)66-48(36)84)9-7-63-31(74)21-93-11-5-3-2-4-10-92-20-28-44(90-50-35(60)41(81)39(79)27(14-55)87-50)42(82)51(88-28)91-45-37(77)24(56)12-25(57)43(45)89-49-34(59)40(80)38(78)26(13-54)86-49/h15,22,24-28,34-35,37-45,49-51,77-82H,2-14,16-21,54-57,59-60H2,1H3,(H2,58,72)(H,62,73)(H,63,74)(H,67,83,85)(H3,61,65,66,84)",FAPKCHNOYWCVOK-UHFFFAOYNA-N,C53H88N18O20S2,Not Found,1361.51,-12.3732029,18,29,33,7,RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. 4-GT is a selective RNA binding agent that selectively binds to RRE RNA and blocks Rev-RRE interaction, which results the inhibition of virus replication.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL539,4-TA,"2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]-N-{2-[2-(6-amino-9H-purin-9-yl)-N-[({2-[N-(carbamoylmethyl)-2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido]ethyl}carbamoyl)methyl]acetamido]ethyl}acetamide",Cc1cn(CC(=O)N(CCNC(=O)CN(CCNC(=O)CSCCCCCCSCC2OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C(O)C2OC2OC(CN)C(O)C(O)C2N)C(=O)Cn2cnc3c(N)ncnc32)CC(N)=O)c(=O)[nH]c1=O,"InChI=1/C53H88N18O19S2/c1-24-15-70(53(84)67-49(24)83)18-33(75)68(16-30(58)72)8-6-62-31(73)17-69(34(76)19-71-23-66-37-47(61)64-22-65-48(37)71)9-7-63-32(74)21-92-11-5-3-2-4-10-91-20-29-45(89-51-36(60)42(81)40(79)28(14-55)86-51)43(82)52(87-29)90-46-38(77)25(56)12-26(57)44(46)88-50-35(59)41(80)39(78)27(13-54)85-50/h15,22-23,25-29,35-36,38-46,50-52,77-82H,2-14,16-21,54-57,59-60H2,1H3,(H2,58,72)(H,62,73)(H,63,74)(H2,61,64,65)(H,67,83,84)",YIPZAXXLIGRRMD-UHFFFAOYNA-N,C53H88N18O19S2,Not Found,1345.51,-11.12227325,17,29,33,7,RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. 4-TA is a selective RNA binding agent that selectively binds to RRE RNA and blocks Rev-RRE interaction, which results the inhibition of virus replication.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL540,4-TC,"N-{2-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-N-[({2-[N-(carbamoylmethyl)-2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido]ethyl}carbamoyl)methyl]acetamido]ethyl}-2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]acetamide",Cc1cn(CC(=O)N(CCNC(=O)CN(CCNC(=O)CSCCCCCCSCC2OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C(O)C2OC2OC(CN)C(O)C(O)C2N)C(=O)Cn2ccc(N)nc2=O)CC(N)=O)c(=O)[nH]c1=O,"InChI=1/C52H88N16O20S2/c1-24-17-68(52(82)64-47(24)80)21-35(73)65(18-31(58)69)10-7-61-32(70)19-66(34(72)20-67-9-6-30(57)63-51(67)81)11-8-62-33(71)23-90-13-5-3-2-4-12-89-22-29-45(87-49-37(60)42(78)40(76)28(16-54)84-49)43(79)50(85-29)88-46-38(74)25(55)14-26(56)44(46)86-48-36(59)41(77)39(75)27(15-53)83-48/h6,9,17,25-29,36-46,48-50,74-79H,2-5,7-8,10-16,18-23,53-56,59-60H2,1H3,(H2,58,69)(H,61,70)(H,62,71)(H2,57,63,81)(H,64,80,82)",KDSIBLUFFKYXRR-UHFFFAOYNA-N,C52H88N16O20S2,Not Found,1321.49,-12.28639765,17,28,33,6,RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. 4-TC is a selective RNA binding agent that selectively binds to RRE RNA and blocks Rev-RRE interaction, which results the inhibition of virus replication.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL541,4-TG,"2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]-N-{2-[2-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-N-[({2-[N-(carbamoylmethyl)-2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido]ethyl}carbamoyl)methyl]acetamido]ethyl}acetamide",Cc1cn(CC(=O)N(CCNC(=O)CN(CCNC(=O)CSCCCCCCSCC2OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C(O)C2OC2OC(CN)C(O)C(O)C2N)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)CC(N)=O)c(=O)[nH]c1=O,"InChI=1/C53H88N18O20S2/c1-23-15-70(53(85)67-47(23)83)18-32(75)68(16-29(58)72)8-6-62-30(73)17-69(33(76)19-71-22-64-36-46(71)65-52(61)66-48(36)84)9-7-63-31(74)21-93-11-5-3-2-4-10-92-20-28-44(90-50-35(60)41(81)39(79)27(14-55)87-50)42(82)51(88-28)91-45-37(77)24(56)12-25(57)43(45)89-49-34(59)40(80)38(78)26(13-54)86-49/h15,22,24-28,34-35,37-45,49-51,77-82H,2-14,16-21,54-57,59-60H2,1H3,(H2,58,72)(H,62,73)(H,63,74)(H,67,83,85)(H3,61,65,66,84)",FCAYJFWJPAJPCA-UHFFFAOYNA-N,C53H88N18O20S2,Not Found,1361.51,-12.3732029,18,29,33,7,RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. 4-TG is a selective RNA binding agent that selectively binds to RRE RNA and blocks Rev-RRE interaction, which results the inhibition of virus replication.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL542,4-TT,"2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]-N-(2-{N-[({2-[N-(carbamoylmethyl)-2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido]ethyl}carbamoyl)methyl]-2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido}ethyl)acetamide",Cc1cn(CC(=O)N(CCNC(=O)CN(CCNC(=O)CSCCCCCCSCC2OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C(O)C2OC2OC(CN)C(O)C(O)C2N)C(=O)Cn2cc(C)c(=O)[nH]c2=O)CC(N)=O)c(=O)[nH]c1=O,"InChI=1/C53H89N15O21S2/c1-24-16-67(52(82)63-47(24)80)20-34(72)65(18-31(58)69)9-7-61-32(70)19-66(35(73)21-68-17-25(2)48(81)64-53(68)83)10-8-62-33(71)23-91-12-6-4-3-5-11-90-22-30-45(88-50-37(60)42(78)40(76)29(15-55)85-50)43(79)51(86-30)89-46-38(74)26(56)13-27(57)44(46)87-49-36(59)41(77)39(75)28(14-54)84-49/h16-17,26-30,36-46,49-51,74-79H,3-15,18-23,54-57,59-60H2,1-2H3,(H2,58,69)(H,61,70)(H,62,71)(H,63,80,82)(H,64,81,83)",GHRWQLZZQNYOFK-UHFFFAOYNA-N,C53H89N15O21S2,Not Found,1336.5,-11.80162998,17,27,33,6,RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. 4-TT is a selective RNA binding agent that selectively binds to RRE RNA and blocks Rev-RRE interaction, which results the inhibition of virus replication.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL543,4-AA,"2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]-N-{2-[2-(6-amino-9H-purin-9-yl)-N-[({2-[2-(6-amino-9H-purin-9-yl)-N-(carbamoylmethyl)acetamido]ethyl}carbamoyl)methyl]acetamido]ethyl}acetamide",NCC1OC(OC2C(CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)CN3C=NC4=C3N=CN=C4N)C(=O)CN3C=NC4=C3N=CN=C4N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C53H87N21O17S2/c54-12-26-39(81)41(83)34(59)51(86-26)89-44-25(57)11-24(56)38(80)46(44)91-53-43(85)45(90-52-35(60)42(84)40(82)27(13-55)87-52)28(88-53)18-92-9-3-1-2-4-10-93-19-31(77)64-6-8-72(33(79)17-74-23-70-37-48(62)66-21-68-50(37)74)15-30(76)63-5-7-71(14-29(58)75)32(78)16-73-22-69-36-47(61)65-20-67-49(36)73/h20-28,34-35,38-46,51-53,80-85H,1-19,54-57,59-60H2,(H2,58,75)(H,63,76)(H,64,77)(H2,61,65,67)(H2,62,66,68)",DGXPGPFGABTGBT-UHFFFAOYNA-N,C53H87N21O17S2,Not Found,1354.53,-11.19354547,17,31,33,8,RRE RNA,"The Rev-RRE RNA interaction is essential for HIV-1 replication. 4-AA is a selective RNA binding agent which binds with Rev Response Element (RRE) RNA and blocks Rev-RRE interaction, results the virus becomes unable to replicate.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL544,4-AC,"N-{2-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-N-[({2-[2-(6-amino-9H-purin-9-yl)-N-(carbamoylmethyl)acetamido]ethyl}carbamoyl)methyl]acetamido]ethyl}-2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]acetamide",NCC1OC(OC2C(CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)CN3C=NC4=C3N=CN=C4N)C(=O)CN3C=CC(N)=NC3=O)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C52H87N19O18S2/c53-14-26-39(78)41(80)35(59)49(84-26)87-44-25(56)13-24(55)38(77)46(44)89-51-43(82)45(88-50-36(60)42(81)40(79)27(15-54)85-50)28(86-51)20-90-11-3-1-2-4-12-91-21-32(74)63-7-10-69(33(75)18-70-8-5-29(57)67-52(70)83)17-31(73)62-6-9-68(16-30(58)72)34(76)19-71-23-66-37-47(61)64-22-65-48(37)71/h5,8,22-28,35-36,38-46,49-51,77-82H,1-4,6-7,9-21,53-56,59-60H2,(H2,58,72)(H,62,73)(H,63,74)(H2,57,67,83)(H2,61,64,65)",IDWDICFMVYKCME-UHFFFAOYNA-N,C52H87N19O18S2,Not Found,1330.5,-11.90009888,17,30,33,7,RRE RNA,"The Rev-RRE RNA interaction is essential for HIV-1 replication. 4-AC is a selective RNA binding agent which binds with Rev Response Element (RRE) RNA and blocks Rev-RRE interaction, results the virus becomes unable to replicate.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL545,4-AG,"2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]-N-{2-[2-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-N-[({2-[2-(6-amino-9H-purin-9-yl)-N-(carbamoylmethyl)acetamido]ethyl}carbamoyl)methyl]acetamido]ethyl}acetamide",NCC1OC(OC2C(CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)CN3C=NC4=C3N=CN=C4N)C(=O)CN3C=NC4=C3N=C(N)NC4=O)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C53H87N21O18S2/c54-12-25-38(81)40(83)33(59)50(87-25)90-43-24(57)11-23(56)37(80)45(43)92-52-42(85)44(91-51-34(60)41(84)39(82)26(13-55)88-51)27(89-52)18-93-9-3-1-2-4-10-94-19-30(77)64-6-8-72(32(79)17-74-22-68-36-48(74)69-53(62)70-49(36)86)15-29(76)63-5-7-71(14-28(58)75)31(78)16-73-21-67-35-46(61)65-20-66-47(35)73/h20-27,33-34,37-45,50-52,80-85H,1-19,54-57,59-60H2,(H2,58,75)(H,63,76)(H,64,77)(H2,61,65,66)(H3,62,69,70,86)",KQMUPQSCCUJMAU-UHFFFAOYNA-N,C53H87N21O18S2,Not Found,1370.53,-11.8087998,18,31,33,8,RRE RNA,"The Rev-RRE RNA interaction is essential for HIV-1 replication. 4-AG is a selective RNA binding agent which binds with Rev Response Element (RRE) RNA and blocks Rev-RRE interaction, results the virus becomes unable to replicate.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL546,4-AT,"2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]-N-(2-{N-[({2-[2-(6-amino-9H-purin-9-yl)-N-(carbamoylmethyl)acetamido]ethyl}carbamoyl)methyl]-2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido}ethyl)acetamide",CC1=CN(CC(=O)N(CCNC(=O)CSCCCCCCSCC2OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C(O)C2OC2OC(CN)C(O)C(O)C2N)CC(=O)NCCN(CC(N)=O)C(=O)CN2C=NC3=C2N=CN=C3N)C(=O)NC1=O,"InChI=1/C53H88N18O19S2/c1-24-15-70(53(84)67-49(24)83)18-33(75)69(17-31(73)62-6-8-68(16-30(58)72)34(76)19-71-23-66-37-47(61)64-22-65-48(37)71)9-7-63-32(74)21-92-11-5-3-2-4-10-91-20-29-45(89-51-36(60)42(81)40(79)28(14-55)86-51)43(82)52(87-29)90-46-38(77)25(56)12-26(57)44(46)88-50-35(59)41(80)39(78)27(13-54)85-50/h15,22-23,25-29,35-36,38-46,50-52,77-82H,2-14,16-21,54-57,59-60H2,1H3,(H2,58,72)(H,62,73)(H,63,74)(H2,61,64,65)(H,67,83,84)",MUMYIGYHLCDDHS-UHFFFAOYNA-N,C53H88N18O19S2,Not Found,1345.51,-11.12227325,17,29,33,7,RRE RNA,"The Rev-RRE RNA interaction is essential for HIV-1 replication. 4-AT is a selective RNA binding agent which binds with Rev Response Element (RRE) RNA and blocks Rev-RRE interaction, results the virus becomes unable to replicate.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL547,4-CA,"N-[2-(2-{4-amino-1H-imidazo[4,5-d]pyridazin-1-yl}-N-[({2-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-N-(carbamoylmethyl)acetamido]ethyl}carbamoyl)methyl]acetamido)ethyl]-2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]acetamide",NCC1OC(OC2C(CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)CN3C=CC(N)=NC3=O)C(=O)CN3C=NC4=C3C=NN=C4N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C52H87N19O18S2/c53-14-27-40(78)42(80)36(59)49(84-27)87-45-25(56)13-24(55)39(77)47(45)89-51-44(82)46(88-50-37(60)43(81)41(79)28(15-54)85-50)29(86-51)21-90-11-3-1-2-4-12-91-22-33(74)63-7-10-69(35(76)20-71-23-64-38-26(71)16-65-67-48(38)61)18-32(73)62-6-9-68(17-31(58)72)34(75)19-70-8-5-30(57)66-52(70)83/h5,8,16,23-25,27-29,36-37,39-47,49-51,77-82H,1-4,6-7,9-15,17-22,53-56,59-60H2,(H2,58,72)(H2,61,67)(H,62,73)(H,63,74)(H2,57,66,83)",RMDKOBZXFRFPHJ-UHFFFAOYNA-N,C52H87N19O18S2,Not Found,1330.5,-12.54149296,17,30,33,7,RRE RNA,"The Rev-RRE RNA interaction is essential for HIV-1 replication. 4-CA is a selective RNA binding agent which binds with Rev Response Element (RRE) RNA and blocks Rev-RRE interaction, results the virus becomes unable to replicate.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL548,4-CC,"N-{2-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-N-[({2-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-N-(carbamoylmethyl)acetamido]ethyl}carbamoyl)methyl]acetamido]ethyl}-2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]acetamide",NCC1OC(OC2C(CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)CN3C=CC(N)=NC3=O)C(=O)CN3C=CC(N)=NC3=O)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C51H87N17O19S2/c52-16-26-39(75)41(77)36(59)47(82-26)85-44-25(55)15-24(54)38(74)46(44)87-49-43(79)45(86-48-37(60)42(78)40(76)27(17-53)83-48)28(84-49)22-88-13-3-1-2-4-14-89-23-33(71)62-8-12-66(35(73)21-68-10-6-30(57)64-51(68)81)19-32(70)61-7-11-65(18-31(58)69)34(72)20-67-9-5-29(56)63-50(67)80/h5-6,9-10,24-28,36-49,74-79H,1-4,7-8,11-23,52-55,59-60H2,(H2,58,69)(H,61,70)(H,62,71)(H2,56,63,80)(H2,57,64,81)",AGTWWQQSEMZDQK-UHFFFAOYNA-N,C51H87N17O19S2,Not Found,1306.48,-12.6066523,17,29,33,6,RRE RNA,"The Rev-RRE RNA interaction is essential for HIV-1 replication. 4-CC is a selective RNA binding agent which binds with Rev Response Element (RRE) RNA and blocks Rev-RRE interaction, results the virus becomes unable to replicate.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL549,4-CG,"N-(2-{N-[({2-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-N-(carbamoylmethyl)acetamido]ethyl}carbamoyl)methyl]-2-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)acetamido}ethyl)-2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]acetamide",NCC1OC(OC2C(CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)CN3C=CC(N)=NC3=O)C(=O)CN3C=NC4=C3N=C(N)NC4=O)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C52H87N19O19S2/c53-14-25-38(78)40(80)34(59)48(85-25)88-43-24(56)13-23(55)37(77)45(43)90-50-42(82)44(89-49-35(60)41(81)39(79)26(15-54)86-49)27(87-50)20-91-11-3-1-2-4-12-92-21-31(74)63-7-10-69(33(76)19-71-22-64-36-46(71)66-51(61)67-47(36)83)17-30(73)62-6-9-68(16-29(58)72)32(75)18-70-8-5-28(57)65-52(70)84/h5,8,22-27,34-35,37-45,48-50,77-82H,1-4,6-7,9-21,53-56,59-60H2,(H2,58,72)(H,62,73)(H,63,74)(H2,57,65,84)(H3,61,66,67,83)",GYOAEEKZSOTTIE-UHFFFAOYNA-N,C52H87N19O19S2,Not Found,1346.5,-12.85777634,18,30,33,7,RRE RNA,"The Rev-RRE RNA interaction is essential for HIV-1 replication. 4-CG is a selective RNA binding agent which binds with Rev Response Element (RRE) RNA and blocks Rev-RRE interaction, results the virus becomes unable to replicate.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL550,4-CT,"N-(2-{N-[({2-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-N-(carbamoylmethyl)acetamido]ethyl}carbamoyl)methyl]-2-(4-amino-5-methyl-2-oxo-1,2-dihydropyrimidin-1-yl)acetamido}ethyl)-2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]acetamide",CC1=CN(CC(=O)N(CCNC(=O)CSCCCCCCSCC2OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C(O)C2OC2OC(CN)C(O)C(O)C2N)CC(=O)NCCN(CC(N)=O)C(=O)CN2C=CC(N)=NC2=O)C(=O)N=C1N,"InChI=1/C52H89N17O19S2/c1-24-17-69(52(82)65-47(24)61)21-35(74)67(19-32(71)62-7-10-66(18-31(58)70)34(73)20-68-9-6-30(57)64-51(68)81)11-8-63-33(72)23-90-13-5-3-2-4-12-89-22-29-45(87-49-37(60)42(79)40(77)28(16-54)84-49)43(80)50(85-29)88-46-38(75)25(55)14-26(56)44(46)86-48-36(59)41(78)39(76)27(15-53)83-48/h6,9,17,25-29,36-46,48-50,75-80H,2-5,7-8,10-16,18-23,53-56,59-60H2,1H3,(H2,58,70)(H,62,71)(H,63,72)(H2,57,64,81)(H2,61,65,82)",JQIWGMXEMFUARP-UHFFFAOYNA-N,C52H89N17O19S2,Not Found,1320.5,-12.21110181,17,29,33,6,RRE RNA,"The Rev-RRE RNA interaction is essential for HIV-1 replication. 4-CT is a selective RNA binding agent which binds with Rev Response Element (RRE) RNA and blocks Rev-RRE interaction, results the virus becomes unable to replicate.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL551,4-GA,"2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]-N-(2-{N-[({2-[2-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-N-(carbamoylmethyl)acetamido]ethyl}carbamoyl)methyl]-2-(6-amino-9H-purin-9-yl)acetamido}ethyl)acetamide",NCC1OC(OC2C(CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)CN3C=NC4=C3N=C(N)NC4=O)C(=O)CN3C=NC4=C3N=CN=C4N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C53H87N21O18S2/c54-12-25-38(81)40(83)33(59)50(87-25)90-43-24(57)11-23(56)37(80)45(43)92-52-42(85)44(91-51-34(60)41(84)39(82)26(13-55)88-51)27(89-52)18-93-9-3-1-2-4-10-94-19-30(77)64-6-8-72(32(79)16-73-21-67-35-46(61)65-20-66-47(35)73)15-29(76)63-5-7-71(14-28(58)75)31(78)17-74-22-68-36-48(74)69-53(62)70-49(36)86/h20-27,33-34,37-45,50-52,80-85H,1-19,54-57,59-60H2,(H2,58,75)(H,63,76)(H,64,77)(H2,61,65,66)(H3,62,69,70,86)",BNVXTQJFWNLWGO-UHFFFAOYNA-N,C53H87N21O18S2,Not Found,1370.53,-11.8087998,18,31,33,8,RRE RNA,"The Rev-RRE RNA interaction is essential for HIV-1 replication. 4-GA is a selective RNA binding agent which binds with Rev Response Element (RRE) RNA and blocks Rev-RRE interaction, results the virus becomes unable to replicate.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL552,4-GC,"N-{2-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-N-[({2-[2-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-N-(carbamoylmethyl)acetamido]ethyl}carbamoyl)methyl]acetamido]ethyl}-2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]acetamide",NCC1OC(OC2C(CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)CN3C=NC4=C3N=C(N)NC4=O)C(=O)CN3C=CC(N)=NC3=O)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C52H87N19O19S2/c53-14-25-38(78)40(80)34(59)48(85-25)88-43-24(56)13-23(55)37(77)45(43)90-50-42(82)44(89-49-35(60)41(81)39(79)26(15-54)86-49)27(87-50)20-91-11-3-1-2-4-12-92-21-31(74)63-7-10-69(32(75)18-70-8-5-28(57)65-52(70)84)17-30(73)62-6-9-68(16-29(58)72)33(76)19-71-22-64-36-46(71)66-51(61)67-47(36)83/h5,8,22-27,34-35,37-45,48-50,77-82H,1-4,6-7,9-21,53-56,59-60H2,(H2,58,72)(H,62,73)(H,63,74)(H2,57,65,84)(H3,61,66,67,83)",BBHPEVKIKXWNDJ-UHFFFAOYNA-N,C52H87N19O19S2,Not Found,1346.5,-12.85777634,18,30,33,7,RRE RNA,"The Rev-RRE RNA interaction is essential for HIV-1 replication. 4-GC is a selective RNA binding agent which binds with Rev Response Element (RRE) RNA and blocks Rev-RRE interaction, results the virus becomes unable to replicate.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL553,4-GG,"2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]-N-{2-[2-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-N-[({2-[2-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-N-(carbamoylmethyl)acetamido]ethyl}carbamoyl)methyl]acetamido]ethyl}acetamide",NCC1OC(OC2C(CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)CN3C=NC4=C3N=C(N)NC4=O)C(=O)CN3C=NC4=C3N=C(N)NC4=O)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C53H87N21O19S2/c54-12-24-37(81)39(83)32(59)49(88-24)91-42-23(57)11-22(56)36(80)44(42)93-51-41(85)43(92-50-33(60)40(84)38(82)25(13-55)89-50)26(90-51)18-94-9-3-1-2-4-10-95-19-29(77)64-6-8-72(31(79)17-74-21-66-35-46(74)68-53(62)70-48(35)87)15-28(76)63-5-7-71(14-27(58)75)30(78)16-73-20-65-34-45(73)67-52(61)69-47(34)86/h20-26,32-33,36-44,49-51,80-85H,1-19,54-57,59-60H2,(H2,58,75)(H,63,76)(H,64,77)(H3,61,67,69,86)(H3,62,68,70,87)",AMYWMUBDYVYARN-UHFFFAOYNA-N,C53H87N21O19S2,Not Found,1386.53,-12.94579228,19,31,33,8,RRE RNA,"The Rev-RRE RNA interaction is essential for HIV-1 replication. 4-GG is a selective RNA binding agent which binds with Rev Response Element (RRE) RNA and blocks Rev-RRE interaction, results the virus becomes unable to replicate.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL554,4-GT,"2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]-N-(2-{N-[({2-[2-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-N-(carbamoylmethyl)acetamido]ethyl}carbamoyl)methyl]-2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido}ethyl)acetamide",CC1=CN(CC(=O)N(CCNC(=O)CSCCCCCCSCC2OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C(O)C2OC2OC(CN)C(O)C(O)C2N)CC(=O)NCCN(CC(N)=O)C(=O)CN2C=NC3=C2N=C(N)NC3=O)C(=O)NC1=O,"InChI=1/C53H88N18O20S2/c1-23-15-70(53(85)67-47(23)83)18-32(75)69(17-30(73)62-6-8-68(16-29(58)72)33(76)19-71-22-64-36-46(71)65-52(61)66-48(36)84)9-7-63-31(74)21-93-11-5-3-2-4-10-92-20-28-44(90-50-35(60)41(81)39(79)27(14-55)87-50)42(82)51(88-28)91-45-37(77)24(56)12-25(57)43(45)89-49-34(59)40(80)38(78)26(13-54)86-49/h15,22,24-28,34-35,37-45,49-51,77-82H,2-14,16-21,54-57,59-60H2,1H3,(H2,58,72)(H,62,73)(H,63,74)(H,67,83,85)(H3,61,65,66,84)",FAPKCHNOYWCVOK-UHFFFAOYNA-N,C53H88N18O20S2,Not Found,1361.51,-12.3732029,18,29,33,7,RRE RNA,"The Rev-RRE RNA interaction is essential for HIV-1 replication. 4-GT is a selective RNA binding agent which binds with Rev Response Element (RRE) RNA and blocks Rev-RRE interaction, results the virus becomes unable to replicate.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL555,4-TA,"2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]-N-{2-[2-(6-amino-9H-purin-9-yl)-N-[({2-[N-(carbamoylmethyl)-2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido]ethyl}carbamoyl)methyl]acetamido]ethyl}acetamide",CC1=CN(CC(=O)N(CCNC(=O)CN(CCNC(=O)CSCCCCCCSCC2OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C(O)C2OC2OC(CN)C(O)C(O)C2N)C(=O)CN2C=NC3=C2N=CN=C3N)CC(N)=O)C(=O)NC1=O,"InChI=1/C53H88N18O19S2/c1-24-15-70(53(84)67-49(24)83)18-33(75)68(16-30(58)72)8-6-62-31(73)17-69(34(76)19-71-23-66-37-47(61)64-22-65-48(37)71)9-7-63-32(74)21-92-11-5-3-2-4-10-91-20-29-45(89-51-36(60)42(81)40(79)28(14-55)86-51)43(82)52(87-29)90-46-38(77)25(56)12-26(57)44(46)88-50-35(59)41(80)39(78)27(13-54)85-50/h15,22-23,25-29,35-36,38-46,50-52,77-82H,2-14,16-21,54-57,59-60H2,1H3,(H2,58,72)(H,62,73)(H,63,74)(H2,61,64,65)(H,67,83,84)",YIPZAXXLIGRRMD-UHFFFAOYNA-N,C53H88N18O19S2,Not Found,1345.51,-11.12227325,17,29,33,7,RRE RNA,"The Rev-RRE RNA interaction is essential for HIV-1 replication. 4-TA is a selective RNA binding agent which binds with Rev Response Element (RRE) RNA and blocks Rev-RRE interaction, results the virus becomes unable to replicate.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL556,4-TC,"N-{2-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-N-[({2-[N-(carbamoylmethyl)-2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido]ethyl}carbamoyl)methyl]acetamido]ethyl}-2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]acetamide",CC1=CN(CC(=O)N(CCNC(=O)CN(CCNC(=O)CSCCCCCCSCC2OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C(O)C2OC2OC(CN)C(O)C(O)C2N)C(=O)CN2C=CC(N)=NC2=O)CC(N)=O)C(=O)NC1=O,"InChI=1/C52H88N16O20S2/c1-24-17-68(52(82)64-47(24)80)21-35(73)65(18-31(58)69)10-7-61-32(70)19-66(34(72)20-67-9-6-30(57)63-51(67)81)11-8-62-33(71)23-90-13-5-3-2-4-12-89-22-29-45(87-49-37(60)42(78)40(76)28(16-54)84-49)43(79)50(85-29)88-46-38(74)25(55)14-26(56)44(46)86-48-36(59)41(77)39(75)27(15-53)83-48/h6,9,17,25-29,36-46,48-50,74-79H,2-5,7-8,10-16,18-23,53-56,59-60H2,1H3,(H2,58,69)(H,61,70)(H,62,71)(H2,57,63,81)(H,64,80,82)",KDSIBLUFFKYXRR-UHFFFAOYNA-N,C52H88N16O20S2,Not Found,1321.49,-12.28639765,17,28,33,6,RRE RNA,"The Rev-RRE RNA interaction is essential for HIV-1 replication. 4-TC is a selective RNA binding agent which binds with Rev Response Element (RRE) RNA and blocks Rev-RRE interaction, results the virus becomes unable to replicate.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL557,4-TG,"2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]-N-{2-[2-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-N-[({2-[N-(carbamoylmethyl)-2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido]ethyl}carbamoyl)methyl]acetamido]ethyl}acetamide",CC1=CN(CC(=O)N(CCNC(=O)CN(CCNC(=O)CSCCCCCCSCC2OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C(O)C2OC2OC(CN)C(O)C(O)C2N)C(=O)CN2C=NC3=C2N=C(N)NC3=O)CC(N)=O)C(=O)NC1=O,"InChI=1/C53H88N18O20S2/c1-23-15-70(53(85)67-47(23)83)18-32(75)68(16-29(58)72)8-6-62-30(73)17-69(33(76)19-71-22-64-36-46(71)65-52(61)66-48(36)84)9-7-63-31(74)21-93-11-5-3-2-4-10-92-20-28-44(90-50-35(60)41(81)39(79)27(14-55)87-50)42(82)51(88-28)91-45-37(77)24(56)12-25(57)43(45)89-49-34(59)40(80)38(78)26(13-54)86-49/h15,22,24-28,34-35,37-45,49-51,77-82H,2-14,16-21,54-57,59-60H2,1H3,(H2,58,72)(H,62,73)(H,63,74)(H,67,83,85)(H3,61,65,66,84)",FCAYJFWJPAJPCA-UHFFFAOYNA-N,C53H88N18O20S2,Not Found,1361.51,-12.3732029,18,29,33,7,RRE RNA,"The Rev-RRE RNA interaction is essential for HIV-1 replication. 4-TG is a selective RNA binding agent which binds with Rev Response Element (RRE) RNA and blocks Rev-RRE interaction, results the virus becomes unable to replicate.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL558,4-TT,"2-[(6-{[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]sulfanyl}hexyl)sulfanyl]-N-(2-{N-[({2-[N-(carbamoylmethyl)-2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido]ethyl}carbamoyl)methyl]-2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido}ethyl)acetamide",CC1=CN(CC(=O)N(CCNC(=O)CN(CCNC(=O)CSCCCCCCSCC2OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C(O)C2OC2OC(CN)C(O)C(O)C2N)C(=O)CN2C=C(C)C(=O)NC2=O)CC(N)=O)C(=O)NC1=O,"InChI=1/C53H89N15O21S2/c1-24-16-67(52(82)63-47(24)80)20-34(72)65(18-31(58)69)9-7-61-32(70)19-66(35(73)21-68-17-25(2)48(81)64-53(68)83)10-8-62-33(71)23-91-12-6-4-3-5-11-90-22-30-45(88-50-37(60)42(78)40(76)29(15-55)85-50)43(79)51(86-30)89-46-38(74)26(56)13-27(57)44(46)87-49-36(59)41(77)39(75)28(14-54)84-49/h16-17,26-30,36-46,49-51,74-79H,3-15,18-23,54-57,59-60H2,1-2H3,(H2,58,69)(H,61,70)(H,62,71)(H,63,80,82)(H,64,81,83)",GHRWQLZZQNYOFK-UHFFFAOYNA-N,C53H89N15O21S2,Not Found,1336.5,-11.80162998,17,27,33,6,RRE RNA,"The Rev-RRE RNA interaction is essential for HIV-1 replication. 4-TT is a selective RNA binding agent which binds with Rev Response Element (RRE) RNA and blocks Rev-RRE interaction, results the virus becomes unable to replicate.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,Not Found,No,No,,,,
DBoRL559,Neomycin B,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2",PGBHMTALBVVCIT-UHFFFAOYNA-N,C23H46N6O13,Not Found,614.65,-8.415177746,13,19,9,4,RRE RNA,"The Rev-RRE RNA interaction is essential for HIV-1 replication. Neomycin B is a selective RNA binding agent which binds with Rev Response Element (RRE) RNA and blocks Rev-RRE interaction, results the virus becomes unable to replicate.",16875816,,,,,,"Hyun S, Lee KH, Yu J. A strategy for the design of selective RNA binding agents. Preparation and RRE RNA binding affinities of a neomycin-peptide nucleic acid heteroconjugate library. Bioorg Med Chem Lett. 2006 Sep 15;16(18):4757-9. doi: 10.1016/j.bmcl.2006.06.094. Epub 2006 Jul 27. PMID: 16875816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16875816/,,,,,,4454,Yes,Yes,,DB00452,https://go.drugbank.com/drugs/DB00452,
DBoRL560,Ethidium bromide,"3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium hydrobromide",Br.CC[N+]1=C(C2=CC=CC=C2)C2=C(C=CC(N)=C2)C2=C1C=C(N)C=C2,"InChI=1S/C21H19N3.BrH/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14;/h3-13,23H,2,22H2,1H3;1H/p+1",ZMMJGEGLRURXTF-UHFFFAOYSA-O,C21H21BrN3,Not Found,395.323,-0.913257801,2,2,2,4,poly(rA).poly(rU),Ethidium bromide interacts into Triple-Strand Poly(rA)?2Poly(rU) as an intercalating agent. As the result the triplex become destabilize. ,16898771,,,,,,"Garcia B, Leal JM, Paiotta V, Ibeas S, Ruiz R, Secco F, Venturini M. Intercalation of ethidium into triple-strand poly(rA).2poly(rU): a thermodynamic and kinetic study. J Phys Chem B. 2006 Aug 17;110(32):16131-8. doi: 10.1021/jp0613283. PMID: 16898771.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16898771/,,,,,,18530300,No,No,,,,
DBoRL561,Ethidium bromide,"3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium",CC[N+]1=C(C2=CC=CC=C2)C2=C(C=CC(N)=C2)C2=C1C=C(N)C=C2,"InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1",QTANTQQOYSUMLC-UHFFFAOYSA-O,C21H20N3,3546-21-2,314.411,-0.913257801,2,2,2,4,RNA tiplex: Poly(rA).2Poly(rU),Ethidium interacts into Triple-Strand Poly(rA)?2Poly(rU) as an intercalating agent. As the result the triplex become destabilize. ,16898771,,,,,,"Garcia B, Leal JM, Paiotta V, Ibeas S, Ruiz R, Secco F, Venturini M. Intercalation of ethidium into triple-strand poly(rA).2poly(rU): a thermodynamic and kinetic study. J Phys Chem B. 2006 Aug 17;110(32):16131-8. doi: 10.1021/jp0613283. PMID: 16898771.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16898771/,,,,,,3624,No,No,,,,
DBoRL562,B-12,"4,6-diamino-3-{3-[1-({3-[(4-{3-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]propyl}-1H-1,2,3-triazol-1-yl)methyl]phenyl}methyl)-1H-1,2,3-triazol-4-yl]propoxy}cyclohexane-1,2-diol",NC1CC(N)C(OCCCc2cn(Cc3cccc(Cn4cc(CCCOC5C(N)CC(N)C(O)C5O)nn4)c3)nn2)C(O)C1O,"InChI=1/C30H48N10O6/c31-21-11-23(33)29(27(43)25(21)41)45-8-2-6-19-15-39(37-35-19)13-17-4-1-5-18(10-17)14-40-16-20(36-38-40)7-3-9-46-30-24(34)12-22(32)26(42)28(30)44/h1,4-5,10,15-16,21-30,41-44H,2-3,6-9,11-14,31-34H2",VMJQKXHKQFWTTK-UHFFFAOYNA-N,C30H48N10O6,Not Found,644.778,-3.091797372,8,14,14,5,RNA hairpin loop,B-12 selectively binds to RNA hairpin loop and show its antimicrobial activity by interfere with the translation process.,16953578,,,,,,"Thomas JR, Liu X, Hergenrother PJ. Biochemical and thermodynamic characterization of compounds that bind to RNA hairpin loops: toward an understanding of selectivity. Biochemistry. 2006 Sep 12;45(36):10928-38. doi: 10.1021/bi0607296. PMID: 16953578.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16953578/,,,,,,Not Found,No,No,,,,
DBoRL563,Thiamine monophosphate,"3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium",Cc1ncc(C[n+]2csc(CCOP(=O)(O)O)c2C)c(N)n1,"InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)/p+1",HZSAJDVWZRBGIF-UHFFFAOYSA-O,C12H18N4O4PS,10023-48-0,345.33,-5.892503837,3,6,6,2,E. coli thi-box riboswitch,"The thi-box riboswitch exhibits 1000-fold higher affinity for thiamine pyrophosphate over closely related noncognate compounds such as thiamine monophosphate. When the thi-box bound to thiamine monophosphate (a monophosphorylated compound), the RNA elements that recognize the thiamine and phosphate moieties of the ligand move closer together. This allows the riboswitch to recognize the monophosphate in a manner similar to how it recognizes the ?-phosphate of thiamine pyrophosphate.",16962976,,,,,,"Edwards TE, Ferr?-D'Amar? AR. Crystal structures of the thi-box riboswitch bound to thiamine pyrophosphate analogs reveal adaptive RNA-small molecule recognition. Structure. 2006 Sep;14(9):1459-68. doi: 10.1016/j.str.2006.07.008. PMID: 16962976.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16962976/,,,,,,1131,Yes,No,Experimental,DB03416,https://go.drugbank.com/drugs/DB03416,
DBoRL564,1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium,1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridin-1-ium,Cc1ncc(C[n+]2cccc(CCO)c2C)c(N)n1,"InChI=1S/C14H19N4O/c1-10-12(5-7-19)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8,19H,5,7,9H2,1-2H3,(H2,15,16,17)/q+1",PZWYDZMWPANLMB-UHFFFAOYSA-N,C14H19N4O,5593-78-2,259.332,-3.864146253,2,4,4,2,E. coli thi-box riboswitch,"The thi-box riboswitch exhibits 1000-fold higher affinity for thiamine pyrophosphate over closely related noncognate compounds such as thiamine monophosphate. When thi-box bound to 1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium, the RNA elements that recognize the thiamine and phosphate moieties of the ligand move closer together. This allows the riboswitch to recognize the monophosphate in a manner similar to how it recognizes the ?-phosphate of thiamine pyrophosphate.",16962976,,,,,,"Edwards TE, Ferr?-D'Amar? AR. Crystal structures of the thi-box riboswitch bound to thiamine pyrophosphate analogs reveal adaptive RNA-small molecule recognition. Structure. 2006 Sep;14(9):1459-68. doi: 10.1016/j.str.2006.07.008. PMID: 16962976.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16962976/,,,,,,10803,No,No,,,,
DBoRL565,Benfotiamine,[(4-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}-3-(benzoylsulfanyl)pent-3-en-1-yl)oxy]phosphonic acid,CC(=C(CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N,"InChI=1S/C19H23N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)",BTNNPSLJPBRMLZ-UHFFFAOYSA-N,C19H23N4O6PS,22457-89-2,466.45,-2.237317757,3,8,10,2,E. coli thi-box riboswitch,"The thi-box riboswitch exhibits 1000-fold higher affinity for thiamine pyrophosphate over closely related noncognate compounds such as thiamine monophosphate. When thi-box bound to benfotiamine (a structural analogue of thiamine monophosphate), the RNA elements that recognize the thiamine and phosphate moieties of the ligand move closer together. This allows the riboswitch to recognize the monophosphate in a manner similar to how it recognizes the ?-phosphate of thiamine pyrophosphate.",16962976,,,,,,"Edwards TE, Ferr?-D'Amar? AR. Crystal structures of the thi-box riboswitch bound to thiamine pyrophosphate analogs reveal adaptive RNA-small molecule recognition. Structure. 2006 Sep;14(9):1459-68. doi: 10.1016/j.str.2006.07.008. PMID: 16962976.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16962976/,,,,,,2320,Yes,Yes,Experimental,DB11748,https://go.drugbank.com/drugs/DB11748,
DBoRL566,10-(3-(dimethylamino)propyl)-10H-phenothiazin-4-ol,10-[3-(dimethylamino)propyl]-10H-phenothiazin-4-ol,CN(C)CCCN1c2ccccc2Sc2c(O)cccc21,"InChI=1S/C17H20N2OS/c1-18(2)11-6-12-19-13-7-3-4-10-16(13)21-17-14(19)8-5-9-15(17)20/h3-5,7-10,20H,6,11-12H2,1-2H3",VOOXHAVQLGKVNP-UHFFFAOYSA-N,C17H20N2OS,Not Found,300.42,2.894903628,1,3,4,3,HIV-1 TAR RNA,"HIV-1 trans-activation responsive (TAR) RNA is the binding site of the viral protein Tat, the trans-activator of the HIV-1 LTR. The binding of Tat protein with HIV-1 TAR RNA is important for replication and proliferation of the virus. 10-(3-(dimethylamino)propyl)-10H-phenothiazin-4-ol targets and binds to HIV-1 TAR RNA and hence Tat protein unable to bind with HIV-1 TAR RNA, which results inhibition of replication and proliferation of HIV-1.",16984889,,,,,,"Mayer M, Lang PT, Gerber S, Madrid PB, Pinto IG, Guy RK, James TL. Synthesis and testing of a focused phenothiazine library for binding to HIV-1 TAR RNA. Chem Biol. 2006 Sep;13(9):993-1000. doi: 10.1016/j.chembiol.2006.07.009. PMID: 16984889.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16984889/,,,,,,Not Found,No,No,,,,
DBoRL567,2-chloro-10-[2-(2-methylpyrrolidin-1-yl)ethyl] phenothiazine Derivative ,2-chloro-10-[2-(2-methylpyrrolidin-1-yl)ethyl]-10H-phenothiazine,CC1CCCN1CCN1c2ccccc2Sc2ccc(Cl)cc21,"InChI=1/C19H21ClN2S/c1-14-5-4-10-21(14)11-12-22-16-6-2-3-7-18(16)23-19-9-8-15(20)13-17(19)22/h2-3,6-9,13-14H,4-5,10-12H2,1H3",GSZUVQBCKNSXHK-UHFFFAOYNA-N,C19H21ClN2S,Not Found,344.9,5.297412995,0,2,3,4,HIV-1 TAR RNA,"HIV-1 trans-activation responsive (TAR) RNA is the binding site of the viral protein Tat, the trans-activator of the HIV-1 LTR. The binding of Tat protein with HIV-1 TAR RNA is important for replication and proliferation of the virus. 2-chloro-10-[2-(2-methylpyrrolidin-1-yl)ethyl] phenothiazine derivative targets and binds to HIV-1 TAR RNA and hence Tat protein unable to bind with HIV-1 TAR RNA, which results inhibition of replication and proliferation of HIV-1.",16984889,,,,,,"Mayer M, Lang PT, Gerber S, Madrid PB, Pinto IG, Guy RK, James TL. Synthesis and testing of a focused phenothiazine library for binding to HIV-1 TAR RNA. Chem Biol. 2006 Sep;13(9):993-1000. doi: 10.1016/j.chembiol.2006.07.009. PMID: 16984889.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16984889/,,,,,,Not Found,No,No,,,,
DBoRL568,2-chloro-10-methylpyrrolidin phenothiazine Derivative ,2-chloro-10-[2-(pyrrolidin-1-yl)ethyl]-10H-phenothiazine,Clc1ccc2c(c1)N(CCN1CCCC1)c1ccccc1S2,"InChI=1S/C18H19ClN2S/c19-14-7-8-18-16(13-14)21(12-11-20-9-3-4-10-20)15-5-1-2-6-17(15)22-18/h1-2,5-8,13H,3-4,9-12H2",FXMVQTQLGQRTCG-UHFFFAOYSA-N,C18H19ClN2S,Not Found,330.87,4.88083797,0,2,3,4,HIV-1 TAR RNA,"HIV-1 trans-activation responsive (TAR) RNA is the binding site of the viral protein Tat, the trans-activator of the HIV-1 LTR. The binding of Tat protein with HIV-1 TAR RNA is important for replication and proliferation of the virus. 2-chloro-10-methylpyrrolidin phenothiazine derivative targets and binds to HIV-1 TAR RNA and hence Tat protein unable to bind with HIV-1 TAR RNA, which results inhibition of replication and proliferation of HIV-1.",16984889,,,,,,"Mayer M, Lang PT, Gerber S, Madrid PB, Pinto IG, Guy RK, James TL. Synthesis and testing of a focused phenothiazine library for binding to HIV-1 TAR RNA. Chem Biol. 2006 Sep;13(9):993-1000. doi: 10.1016/j.chembiol.2006.07.009. PMID: 16984889.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16984889/,,,,,,Not Found,No,No,,,,
DBoRL569,2-chloro-10-pyrrolidin phenothiazine Derivative ,[3-(2-chloro-10H-phenothiazin-10-yl)propyl](pentyl)amine,CCCCCNCCCN1c2ccccc2Sc2ccc(Cl)cc21,"InChI=1S/C20H25ClN2S/c1-2-3-6-12-22-13-7-14-23-17-8-4-5-9-19(17)24-20-11-10-16(21)15-18(20)23/h4-5,8-11,15,22H,2-3,6-7,12-14H2,1H3",MSYPWODUQBMEST-UHFFFAOYSA-N,C20H25ClN2S,Not Found,360.94,5.920419985,1,2,8,3,HIV-1 TAR RNA,"HIV-1 trans-activation responsive (TAR) RNA is the binding site of the viral protein Tat, the trans-activator of the HIV-1 LTR. The binding of Tat protein with HIV-1 TAR RNA is important for replication and proliferation of the virus. 2-chloro-10-pyrrolidin phenothiazine derivative targets and binds to HIV-1 TAR RNA and hence Tat protein unable to bind with HIV-1 TAR RNA, which results inhibition of replication and proliferation of HIV-1.",16984889,,,,,,"Mayer M, Lang PT, Gerber S, Madrid PB, Pinto IG, Guy RK, James TL. Synthesis and testing of a focused phenothiazine library for binding to HIV-1 TAR RNA. Chem Biol. 2006 Sep;13(9):993-1000. doi: 10.1016/j.chembiol.2006.07.009. PMID: 16984889.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16984889/,,,,,,Not Found,No,No,,,,
DBoRL570,"3-(2-methoxy-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine",[3-(2-methoxy-10H-phenothiazin-10-yl)propyl]dimethylamine,COc1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2,"InChI=1S/C18H22N2OS/c1-19(2)11-6-12-20-15-7-4-5-8-17(15)22-18-10-9-14(21-3)13-16(18)20/h4-5,7-10,13H,6,11-12H2,1-3H3",BRABPYPSZVCCLR-UHFFFAOYSA-N,C18H22N2OS,61-01-8,314.45,3.7732843,0,3,5,3,HIV-1 TAR RNA,"HIV-1 trans-activation responsive (TAR) RNA is the binding site of the viral protein Tat, the trans-activator of the HIV-1 LTR. The binding of Tat protein with HIV-1 TAR RNA is important for replication and proliferation of the virus. 3-(2-methoxy-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine targets and binds to HIV-1 TAR RNA and hence Tat protein unable to bind with HIV-1 TAR RNA, which results inhibition of replication and proliferation of HIV-1.",16984889,,,,,,"Mayer M, Lang PT, Gerber S, Madrid PB, Pinto IG, Guy RK, James TL. Synthesis and testing of a focused phenothiazine library for binding to HIV-1 TAR RNA. Chem Biol. 2006 Sep;13(9):993-1000. doi: 10.1016/j.chembiol.2006.07.009. PMID: 16984889.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16984889/,,,,,,18847,No,No,,,,
DBoRL571,"3-(3,7-dimethyl-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine","[3-(3,7-dimethyl-10H-phenothiazin-10-yl)propyl]dimethylamine",Cc1ccc2c(c1)Sc1cc(C)ccc1N2CCCN(C)C,"InChI=1S/C19H24N2S/c1-14-6-8-16-18(12-14)22-19-13-15(2)7-9-17(19)21(16)11-5-10-20(3)4/h6-9,12-13H,5,10-11H2,1-4H3",GQAZVMMAGKAHMH-UHFFFAOYSA-N,C19H24N2S,Not Found,312.48,4.957798345,0,2,4,3,HIV-1 TAR RNA,"HIV-1 trans-activation responsive (TAR) RNA is the binding site of the viral protein Tat, the trans-activator of the HIV-1 LTR. The binding of Tat protein with HIV-1 TAR RNA is important for replication and proliferation of the virus. 3-(3,7-dimethyl-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine targets and binds to HIV-1 TAR RNA and hence Tat protein unable to bind with HIV-1 TAR RNA, which results inhibition of replication and proliferation of HIV-1.",16984889,,,,,,"Mayer M, Lang PT, Gerber S, Madrid PB, Pinto IG, Guy RK, James TL. Synthesis and testing of a focused phenothiazine library for binding to HIV-1 TAR RNA. Chem Biol. 2006 Sep;13(9):993-1000. doi: 10.1016/j.chembiol.2006.07.009. PMID: 16984889.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16984889/,,,,,,Not Found,No,No,,,,
DBoRL572,"3-(4-methoxy-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine",[3-(4-methoxy-10H-phenothiazin-10-yl)propyl]dimethylamine,COc1cccc2c1Sc1ccccc1N2CCCN(C)C,"InChI=1S/C18H22N2OS/c1-19(2)12-7-13-20-14-8-4-5-11-17(14)22-18-15(20)9-6-10-16(18)21-3/h4-6,8-11H,7,12-13H2,1-3H3",IAFSPGMPWFUDHT-UHFFFAOYSA-N,C18H22N2OS,Not Found,314.45,3.7732843,0,3,5,3,HIV-1 TAR RNA,"HIV-1 trans-activation responsive (TAR) RNA is the binding site of the viral protein Tat, the trans-activator of the HIV-1 LTR. The binding of Tat protein with HIV-1 TAR RNA is important for replication and proliferation of the virus. 3-(4-methoxy-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine targets and binds to HIV-1 TAR RNA and hence Tat protein unable to bind with HIV-1 TAR RNA, which results inhibition of replication and proliferation of HIV-1.",16984889,,,,,,"Mayer M, Lang PT, Gerber S, Madrid PB, Pinto IG, Guy RK, James TL. Synthesis and testing of a focused phenothiazine library for binding to HIV-1 TAR RNA. Chem Biol. 2006 Sep;13(9):993-1000. doi: 10.1016/j.chembiol.2006.07.009. PMID: 16984889.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16984889/,,,,,,Not Found,No,No,,,,
DBoRL573,3-Phenothiazine Analog 1,1-{10-[3-({[bis(hydroxymethyl)amino]methyl}amino)propyl]-10H-phenothiazin-2-yl}ethan-1-one,CC(=O)c1ccc2c(c1)N(CCCNCN(CO)CO)c1ccccc1S2,"InChI=1S/C20H25N3O3S/c1-15(26)16-7-8-20-18(11-16)23(17-5-2-3-6-19(17)27-20)10-4-9-21-12-22(13-24)14-25/h2-3,5-8,11,21,24-25H,4,9-10,12-14H2,1H3",TXDSMYLWQXBYNP-UHFFFAOYSA-N,C20H25N3O3S,Not Found,387.5,2.074298473,3,6,9,3,HIV-1 TAR RNA,"HIV-1 trans-activation responsive (TAR) RNA is the binding site of the viral protein Tat, the trans-activator of the HIV-1 LTR. The binding of Tat protein with HIV-1 TAR RNA is important for replication and proliferation of the virus. 3-Phenothiazine analogue 1 targets and binds to HIV-1 TAR RNA and hence Tat protein unable to bind with HIV-1 TAR RNA, which results inhibition of replication and proliferation of HIV-1.",16984889,,,,,,"Mayer M, Lang PT, Gerber S, Madrid PB, Pinto IG, Guy RK, James TL. Synthesis and testing of a focused phenothiazine library for binding to HIV-1 TAR RNA. Chem Biol. 2006 Sep;13(9):993-1000. doi: 10.1016/j.chembiol.2006.07.009. PMID: 16984889.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16984889/,,,,,,Not Found,No,No,,,,
DBoRL574,3-Phenothiazine Analog 2,1-[10-(3-{[1-hydroxy-3-(methylsulfanyl)propyl]amino}propyl)-10H-phenothiazin-2-yl]ethan-1-one,CSCCC(O)NCCCN1c2ccccc2Sc2ccc(C(C)=O)cc21,"InChI=1/C21H26N2O2S2/c1-15(24)16-8-9-20-18(14-16)23(17-6-3-4-7-19(17)27-20)12-5-11-22-21(25)10-13-26-2/h3-4,6-9,14,21-22,25H,5,10-13H2,1-2H3",IQDHKXADFILVLC-UHFFFAOYNA-N,C21H26N2O2S2,Not Found,402.57,3.959910921,2,4,9,3,HIV-1 TAR RNA,"HIV-1 trans-activation responsive (TAR) RNA is the binding site of the viral protein Tat, the trans-activator of the HIV-1 LTR. The binding of Tat protein with HIV-1 TAR RNA is important for replication and proliferation of the virus. 3-Phenothiazine analogue 2 targets and binds to HIV-1 TAR RNA and hence Tat protein unable to bind with HIV-1 TAR RNA, which results inhibition of replication and proliferation of HIV-1.",16984889,,,,,,"Mayer M, Lang PT, Gerber S, Madrid PB, Pinto IG, Guy RK, James TL. Synthesis and testing of a focused phenothiazine library for binding to HIV-1 TAR RNA. Chem Biol. 2006 Sep;13(9):993-1000. doi: 10.1016/j.chembiol.2006.07.009. PMID: 16984889.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16984889/,,,,,,Not Found,No,No,,,,
DBoRL575,3-Phenothiazine Analog 3,2-{[3-(2-chloro-10H-phenothiazin-10-yl)propyl]amino}ethan-1-ol,OCCNCCCN1c2ccccc2Sc2ccc(Cl)cc21,"InChI=1S/C17H19ClN2OS/c18-13-6-7-17-15(12-13)20(10-3-8-19-9-11-21)14-4-1-2-5-16(14)22-17/h1-2,4-7,12,19,21H,3,8-11H2",HMMPPCLWPFMPCK-UHFFFAOYSA-N,C17H19ClN2OS,Not Found,334.86,3.461850293,2,3,6,3,HIV-1 TAR RNA,"HIV-1 trans-activation responsive (TAR) RNA is the binding site of the viral protein Tat, the trans-activator of the HIV-1 LTR. The binding of Tat protein with HIV-1 TAR RNA is important for replication and proliferation of the virus. 3-Phenothiazine analogue 3 targets and binds to HIV-1 TAR RNA and hence Tat protein unable to bind with HIV-1 TAR RNA, which results inhibition of replication and proliferation of HIV-1.",16984889,,,,,,"Mayer M, Lang PT, Gerber S, Madrid PB, Pinto IG, Guy RK, James TL. Synthesis and testing of a focused phenothiazine library for binding to HIV-1 TAR RNA. Chem Biol. 2006 Sep;13(9):993-1000. doi: 10.1016/j.chembiol.2006.07.009. PMID: 16984889.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16984889/,,,,,,59122031,No,No,,,,
DBoRL576,Benzyl phenothiazin Derivative ,benzyl[2-(2-chloro-10H-phenothiazin-10-yl)ethyl]amine,Clc1ccc2c(c1)N(CCNCc1ccccc1)c1ccccc1S2,"InChI=1S/C21H19ClN2S/c22-17-10-11-21-19(14-17)24(18-8-4-5-9-20(18)25-21)13-12-23-15-16-6-2-1-3-7-16/h1-11,14,23H,12-13,15H2",LWFRHIVBTFZHKF-UHFFFAOYSA-N,C21H19ClN2S,Not Found,366.91,5.816465683,1,2,5,4,HIV-1 TAR RNA,"HIV-1 trans-activation responsive (TAR) RNA is the binding site of the viral protein Tat, the trans-activator of the HIV-1 LTR. The binding of Tat protein with HIV-1 TAR RNA is important for replication and proliferation of the virus. Benzyl phenothiazin derivative targets and binds to HIV-1 TAR RNA and hence Tat protein unable to bind with HIV-1 TAR RNA, which results inhibition of replication and proliferation of HIV-1.",16984889,,,,,,"Mayer M, Lang PT, Gerber S, Madrid PB, Pinto IG, Guy RK, James TL. Synthesis and testing of a focused phenothiazine library for binding to HIV-1 TAR RNA. Chem Biol. 2006 Sep;13(9):993-1000. doi: 10.1016/j.chembiol.2006.07.009. PMID: 16984889.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16984889/,,,,,,23593635,No,No,,,,
DBoRL577,Chloro imidazole phenothiazine Derivative ,2-chloro-10-[2-(1H-imidazol-1-yl)ethyl]-10H-phenothiazine,Clc1ccc2c(c1)N(CCn1ccnc1)c1ccccc1S2,"InChI=1S/C17H14ClN3S/c18-13-5-6-17-15(11-13)21(10-9-20-8-7-19-12-20)14-3-1-2-4-16(14)22-17/h1-8,11-12H,9-10H2",MRMJXCJPTMWFCK-UHFFFAOYSA-N,C17H14ClN3S,Not Found,327.83,4.363322896,0,2,3,4,HIV-1 TAR RNA,"HIV-1 trans-activation responsive (TAR) RNA is the binding site of the viral protein Tat, the trans-activator of the HIV-1 LTR. The binding of Tat protein with HIV-1 TAR RNA is important for replication and proliferation of the virus. Chloro imidazole phenothiazine derivative targets and binds to HIV-1 TAR RNA and hence Tat protein unable to bind with HIV-1 TAR RNA, which results inhibition of replication and proliferation of HIV-1.",16984889,,,,,,"Mayer M, Lang PT, Gerber S, Madrid PB, Pinto IG, Guy RK, James TL. Synthesis and testing of a focused phenothiazine library for binding to HIV-1 TAR RNA. Chem Biol. 2006 Sep;13(9):993-1000. doi: 10.1016/j.chembiol.2006.07.009. PMID: 16984889.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16984889/,,,,,,Not Found,No,No,,,,
DBoRL578,Chloro methylpiperazinyl propyl phenothiazine Derivative ,2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine,CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,"InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3",WIKYUJGCLQQFNW-UHFFFAOYSA-N,C20H24ClN3S,58-38-8,373.94,4.382119821,0,3,4,4,HIV-1 TAR RNA,"HIV-1 trans-activation responsive (TAR) RNA is the binding site of the viral protein Tat, the trans-activator of the HIV-1 LTR. The binding of Tat protein with HIV-1 TAR RNA is important for replication and proliferation of the virus. Chloro methylpiperazinyl propyl phenothiazine derivative targets and binds to HIV-1 TAR RNA and hence Tat protein unable to bind with HIV-1 TAR RNA, which results inhibition of replication and proliferation of HIV-1.",16984889,,,,,,"Mayer M, Lang PT, Gerber S, Madrid PB, Pinto IG, Guy RK, James TL. Synthesis and testing of a focused phenothiazine library for binding to HIV-1 TAR RNA. Chem Biol. 2006 Sep;13(9):993-1000. doi: 10.1016/j.chembiol.2006.07.009. PMID: 16984889.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16984889/,,,,,,4917,Yes,Yes,Vet_approved,DB00433,https://go.drugbank.com/drugs/DB00433,
DBoRL579,Chloro piperidine propyl Derivative ,2-chloro-10-[3-(piperidin-1-yl)propyl]-10H-phenothiazine,Clc1ccc2c(c1)N(CCCN1CCCCC1)c1ccccc1S2,"InChI=1S/C20H23ClN2S/c21-16-9-10-20-18(15-16)23(17-7-2-3-8-19(17)24-20)14-6-13-22-11-4-1-5-12-22/h2-3,7-10,15H,1,4-6,11-14H2",PZPIKCGZDXANHM-UHFFFAOYSA-N,C20H23ClN2S,Not Found,358.93,5.385366374,0,2,4,4,HIV-1 TAR RNA,"HIV-1 trans-activation responsive (TAR) RNA is the binding site of the viral protein Tat, the trans-activator of the HIV-1 LTR. The binding of Tat protein with HIV-1 TAR RNA is important for replication and proliferation of the virus. Chloro piperidine propyl derivative targets and binds to HIV-1 TAR RNA and hence Tat protein unable to bind with HIV-1 TAR RNA, which results inhibition of replication and proliferation of HIV-1.",16984889,,,,,,"Mayer M, Lang PT, Gerber S, Madrid PB, Pinto IG, Guy RK, James TL. Synthesis and testing of a focused phenothiazine library for binding to HIV-1 TAR RNA. Chem Biol. 2006 Sep;13(9):993-1000. doi: 10.1016/j.chembiol.2006.07.009. PMID: 16984889.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16984889/,,,,,,59122032,No,No,,,,
DBoRL580,Chlorpromazine,[3-(2-chloro-10H-phenothiazin-10-yl)propyl]dimethylamine,CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,"InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3",ZPEIMTDSQAKGNT-UHFFFAOYSA-N,C17H19ClN2S,"50-53-3,146702-01-4,34468-21-8",318.86,4.535000242,0,2,4,3,HIV-1 TAR RNA,"HIV-1 trans-activation responsive (TAR) RNA is the binding site of the viral protein Tat, the trans-activator of the HIV-1 LTR. The binding of Tat protein with HIV-1 TAR RNA is important for replication and proliferation of the virus. Chlorpromazine targets and binds to HIV-1 TAR RNA and hence Tat protein unable to bind with HIV-1 TAR RNA, which results inhibition of replication and proliferation of HIV-1.",16984889,,,,,,"Mayer M, Lang PT, Gerber S, Madrid PB, Pinto IG, Guy RK, James TL. Synthesis and testing of a focused phenothiazine library for binding to HIV-1 TAR RNA. Chem Biol. 2006 Sep;13(9):993-1000. doi: 10.1016/j.chembiol.2006.07.009. PMID: 16984889.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16984889/,,,,,,2726,Yes,Yes,Investigational Vet_approved,DB00477,https://go.drugbank.com/drugs/DB00477,
DBoRL581,Dimethylamino propyl phenothiazin Derivative 2 ,10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-ol,CN(C)CCCN1c2ccccc2Sc2ccc(O)cc21,"InChI=1S/C17H20N2OS/c1-18(2)10-5-11-19-14-6-3-4-7-16(14)21-17-9-8-13(20)12-15(17)19/h3-4,6-9,12,20H,5,10-11H2,1-2H3",YMVFQWULFRMLRA-UHFFFAOYSA-N,C17H20N2OS,3926-64-5,300.42,3.081796887,1,3,4,3,HIV-1 TAR RNA,"HIV-1 trans-activation responsive (TAR) RNA is the binding site of the viral protein Tat, the trans-activator of the HIV-1 LTR. The binding of Tat protein with HIV-1 TAR RNA is important for replication and proliferation of the virus. Dimethylamino propyl phenothiazin derivative2  targets and binds to HIV-1 TAR RNA and hence Tat protein unable to bind with HIV-1 TAR RNA, which results inhibition of replication and proliferation of HIV-1.",16984889,,,,,,"Mayer M, Lang PT, Gerber S, Madrid PB, Pinto IG, Guy RK, James TL. Synthesis and testing of a focused phenothiazine library for binding to HIV-1 TAR RNA. Chem Biol. 2006 Sep;13(9):993-1000. doi: 10.1016/j.chembiol.2006.07.009. PMID: 16984889.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16984889/,,,,,,77525,No,No,,,,
DBoRL582,Hydroxymethyl piperidinyl propyl ,1-(10-{3-[3-(hydroxymethyl)piperidin-1-yl]propyl}-10H-phenothiazin-2-yl)ethan-1-one,CC(=O)c1ccc2c(c1)N(CCCN1CCCC(CO)C1)c1ccccc1S2,"InChI=1/C23H28N2O2S/c1-17(27)19-9-10-23-21(14-19)25(20-7-2-3-8-22(20)28-23)13-5-12-24-11-4-6-18(15-24)16-26/h2-3,7-10,14,18,26H,4-6,11-13,15-16H2,1H3",KTUREYYRMBEZJB-UHFFFAOYNA-N,C23H28N2O2S,Not Found,396.55,3.308820153,1,4,6,4,HIV-1 TAR RNA,"HIV-1 trans-activation responsive (TAR) RNA is the binding site of the viral protein Tat, the trans-activator of the HIV-1 LTR. The binding of Tat protein with HIV-1 TAR RNA is important for replication and proliferation of the virus. Hydroxymethyl piperidinyl propyl  targets and binds to HIV-1 TAR RNA and hence Tat protein unable to bind with HIV-1 TAR RNA, which results inhibition of replication and proliferation of HIV-1.",16984889,,,,,,"Mayer M, Lang PT, Gerber S, Madrid PB, Pinto IG, Guy RK, James TL. Synthesis and testing of a focused phenothiazine library for binding to HIV-1 TAR RNA. Chem Biol. 2006 Sep;13(9):993-1000. doi: 10.1016/j.chembiol.2006.07.009. PMID: 16984889.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16984889/,,,,,,Not Found,No,No,,,,
DBoRL583,Hydroxymethyl piperidinyl butyl,1-(10-{4-[3-(hydroxymethyl)piperidin-1-yl]butyl}-10H-phenothiazin-2-yl)ethan-1-one,CC(=O)c1ccc2c(c1)N(CCCCN1CCCC(CO)C1)c1ccccc1S2,"InChI=1/C24H30N2O2S/c1-18(28)20-10-11-24-22(15-20)26(21-8-2-3-9-23(21)29-24)14-5-4-12-25-13-6-7-19(16-25)17-27/h2-3,8-11,15,19,27H,4-7,12-14,16-17H2,1H3",TWVZCGSVGZXAFK-UHFFFAOYNA-N,C24H30N2O2S,Not Found,410.58,3.826182824,1,4,7,4,HIV-1 TAR RNA,"HIV-1 trans-activation responsive (TAR) RNA is the binding site of the viral protein Tat, the trans-activator of the HIV-1 LTR. The binding of Tat protein with HIV-1 TAR RNA is important for replication and proliferation of the virus. Hydroxymethyl piperidinyl butyl targets and binds to HIV-1 TAR RNA and hence Tat protein unable to bind with HIV-1 TAR RNA, which results inhibition of replication and proliferation of HIV-1.",16984889,,,,,,"Mayer M, Lang PT, Gerber S, Madrid PB, Pinto IG, Guy RK, James TL. Synthesis and testing of a focused phenothiazine library for binding to HIV-1 TAR RNA. Chem Biol. 2006 Sep;13(9):993-1000. doi: 10.1016/j.chembiol.2006.07.009. PMID: 16984889.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16984889/,,,,,,Not Found,No,No,,,,
DBoRL584,Hydroxymethyl piperidinyl pentyl,1-(10-{5-[3-(hydroxymethyl)piperidin-1-yl]pentyl}-10H-phenothiazin-2-yl)ethan-1-one,CC(=O)c1ccc2c(c1)N(CCCCCN1CCCC(CO)C1)c1ccccc1S2,"InChI=1/C25H32N2O2S/c1-19(29)21-11-12-25-23(16-21)27(22-9-3-4-10-24(22)30-25)15-6-2-5-13-26-14-7-8-20(17-26)18-28/h3-4,9-12,16,20,28H,2,5-8,13-15,17-18H2,1H3",RMBKMFIVYTXKJV-UHFFFAOYNA-N,C25H32N2O2S,Not Found,424.6,4.270751489,1,4,8,4,HIV-1 TAR RNA,"HIV-1 trans-activation responsive (TAR) RNA is the binding site of the viral protein Tat, the trans-activator of the HIV-1 LTR. The binding of Tat protein with HIV-1 TAR RNA is important for replication and proliferation of the virus. Hydroxymethyl piperidinyl pentyl targets and binds to HIV-1 TAR RNA and hence Tat protein unable to bind with HIV-1 TAR RNA, which results inhibition of replication and proliferation of HIV-1.",16984889,,,,,,"Mayer M, Lang PT, Gerber S, Madrid PB, Pinto IG, Guy RK, James TL. Synthesis and testing of a focused phenothiazine library for binding to HIV-1 TAR RNA. Chem Biol. 2006 Sep;13(9):993-1000. doi: 10.1016/j.chembiol.2006.07.009. PMID: 16984889.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16984889/,,,,,,Not Found,No,No,,,,
DBoRL585,Methoxypiperidin Butyl Derivative,1-{10-[4-(3-methoxypiperidin-1-yl)butyl]-10H-phenothiazin-2-yl}ethan-1-one,COC1CCCN(CCCCN2c3ccccc3Sc3ccc(C(C)=O)cc32)C1,"InChI=1/C24H30N2O2S/c1-18(27)19-11-12-24-22(16-19)26(21-9-3-4-10-23(21)29-24)15-6-5-13-25-14-7-8-20(17-25)28-2/h3-4,9-12,16,20H,5-8,13-15,17H2,1-2H3",IDZPHIUUMSLYEC-UHFFFAOYNA-N,C24H30N2O2S,Not Found,410.58,4.424554784,0,4,7,4,HIV-1 TAR RNA,"HIV-1 trans-activation responsive (TAR) RNA is the binding site of the viral protein Tat, the trans-activator of the HIV-1 LTR. The binding of Tat protein with HIV-1 TAR RNA is important for replication and proliferation of the virus. Methoxypiperidin butyl derivative targets and binds to HIV-1 TAR RNA and hence Tat protein unable to bind with HIV-1 TAR RNA, which results inhibition of replication and proliferation of HIV-1.",16984889,,,,,,"Mayer M, Lang PT, Gerber S, Madrid PB, Pinto IG, Guy RK, James TL. Synthesis and testing of a focused phenothiazine library for binding to HIV-1 TAR RNA. Chem Biol. 2006 Sep;13(9):993-1000. doi: 10.1016/j.chembiol.2006.07.009. PMID: 16984889.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16984889/,,,,,,Not Found,No,No,,,,
DBoRL586,"N,N-dimethyl-3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propan-1-amine",dimethyl({3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl})amine,CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21,"InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3",XSCGXQMFQXDFCW-UHFFFAOYSA-N,C18H19F3N2S,146-54-3,352.42,4.808804048,0,2,5,3,HIV-1 TAR RNA,"HIV-1 trans-activation responsive (TAR) RNA is the binding site of the viral protein Tat, the trans-activator of the HIV-1 LTR. The binding of Tat protein with HIV-1 TAR RNA is important for replication and proliferation of the virus. N,N-dimethyl-3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propan-1-amine targets and binds to HIV-1 TAR RNA and hence Tat protein unable to bind with HIV-1 TAR RNA, which results inhibition of replication and proliferation of HIV-1.",16984889,,,,,,"Mayer M, Lang PT, Gerber S, Madrid PB, Pinto IG, Guy RK, James TL. Synthesis and testing of a focused phenothiazine library for binding to HIV-1 TAR RNA. Chem Biol. 2006 Sep;13(9):993-1000. doi: 10.1016/j.chembiol.2006.07.009. PMID: 16984889.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16984889/,,,,,,5568,Yes,Yes,Vet_approved,DB00508,https://go.drugbank.com/drugs/DB00508,
DBoRL587,"N,N-dimethyl-3-(3-methyl-10H-phenothiazin-10-yl)propan-1-amine ",dimethyl[3-(3-methyl-10H-phenothiazin-10-yl)propyl]amine,Cc1ccc2c(c1)Sc1ccccc1N2CCCN(C)C,"InChI=1S/C18H22N2S/c1-14-9-10-16-18(13-14)21-17-8-5-4-7-15(17)20(16)12-6-11-19(2)3/h4-5,7-10,13H,6,11-12H2,1-3H3",XJIFLPIOUVKYJT-UHFFFAOYSA-N,C18H22N2S,Not Found,298.45,4.444376955,0,2,4,3,HIV-1 TAR RNA,"HIV-1 trans-activation responsive (TAR) RNA is the binding site of the viral protein Tat, the trans-activator of the HIV-1 LTR. The binding of Tat protein with HIV-1 TAR RNA is important for replication and proliferation of the virus. N,N-dimethyl-3-(3-methyl-10H-phenothiazin-10-yl)propan-1-amine  targets and binds to HIV-1 TAR RNA and hence Tat protein unable to bind with HIV-1 TAR RNA, which results inhibition of replication and proliferation of HIV-1.",16984889,,,,,,"Mayer M, Lang PT, Gerber S, Madrid PB, Pinto IG, Guy RK, James TL. Synthesis and testing of a focused phenothiazine library for binding to HIV-1 TAR RNA. Chem Biol. 2006 Sep;13(9):993-1000. doi: 10.1016/j.chembiol.2006.07.009. PMID: 16984889.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16984889/,,,,,,Not Found,No,No,,,,
DBoRL588,alpha-D-Glucose-6-phosphate,"[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]phosphonic acid",O=P(O)(O)OCC1OC(O)C(O)C(O)C1O,"InChI=1/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)",NBSCHQHZLSJFNQ-UHFFFAOYNA-N,C6H13O9P,Not Found,260.135,-3.056105249,6,8,3,1,Thermoanaerobacter tengcongensis glmS ribozyme,"The glmS ribozyme is the only natural catalytic RNA known to require a small-molecule activator for catalysis. This catalytic RNA functions as a riboswitch, with activator-dependent RNA cleavage regulating glmS messenger RNA expression. The glmS ribozyme unliganded or bound to the competitive inhibitor alpha-D-glucose-6-phosphate. Unlike other riboswitches, the glmS ribozyme binds its activator in an open, solvent-accessible pocket. Amine group of the glmS ribozyme-bound coenzyme & performs general acid-base and electrostatic catalysis.",16990543,,,,,,"Klein, Daniel J., and Adrian R. Ferr?-D'Amar?. ?Structural Basis of GlmS Ribozyme Activation by Glucosamine-6-Phosphate.? Science, vol. 313, no. 5794, 2006, pp. 1752?1756. JSTOR, www.jstor.org/stable/20031353. Accessed 13 Feb. 2021.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16990543/,,,,,,208,Yes,No,Experimental,DB02007,https://go.drugbank.com/drugs/DB02007,
DBoRL589,Kasugamycin ,"(N'-{5-amino-2-methyl-6-[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]oxan-3-yl}carbamimidoyl)formic acid",CC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1N=C(N)C(=O)O,"InChI=1/C14H25N3O9/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24)",PVTHJAPFENJVNC-UHFFFAOYNA-N,C14H25N3O9,Not Found,379.366,-6.418613729,8,12,4,2,Bacterial ribosome,"Kasugamycin (Ksg) has the ability to bind with prokaryotic ribosome & inhibit the translation process. Aminoglycoside kasugamycin (Ksg) can form a complex with the Escherichia coli 70S ribosome. In case of E. coli the drug binds within the messenger RNA channel of the 30S subunit between the universally conserved G926 and A794 nucleotides in 16S ribosomal RNA, which are sites of Ksg resistance. Ksg resistance mutations do not inhibit binding of the drug to the ribosome.",16998486,,,,,,"Schuwirth BS, Day JM, Hau CW, Janssen GR, Dahlberg AE, Cate JH, Vila-Sanjurjo A. Structural analysis of kasugamycin inhibition of translation. Nat Struct Mol Biol. 2006 Oct;13(10):879-86. doi: 10.1038/nsmb1150. Epub 2006 Sep 24. PMID: 16998486; PMCID: PMC2636691.
",,,,,,https://pubmed.ncbi.nlm.nih.gov/16998486/,,,,,,265071,No,No,,,,
DBoRL590,Neocarzinostatin,"11-{[4,5-dihydroxy-6-methyl-3-(methylamino)oxan-2-yl]oxy}-4-(2-oxo-1,3-dioxolan-4-yl)-5-oxatricyclo[8.3.0.0?,?]tridec-1(13)-en-2,7-diyn-12-yl 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate",CNC1C(OC2C(OC(=O)c3c(O)ccc4c(C)cc(OC)cc34)C=C3C#CC4(C5COC(=O)O5)OC4C#CCC32)OC(C)C(O)C1O,"InChI=1/C35H35NO12/c1-16-12-19(42-4)14-22-20(16)8-9-23(37)27(22)32(40)45-24-13-18-10-11-35(26-15-43-34(41)46-26)25(48-35)7-5-6-21(18)31(24)47-33-28(36-3)30(39)29(38)17(2)44-33/h8-9,12-14,17,21,24-26,28-31,33,36-39H,6,15H2,1-4H3",BLXZMHNVKCEIJX-UHFFFAOYNA-N,C35H35NO12,Not Found,661.66,3.905413974,4,11,8,7,HIV-2 TAR ,"Neocarzinostatin, apirocyclic helical compound, act as binding agents for bulged RNA, including HIV-2 TAR & may interfere with viral replication process.",17057867,,,,,,"Xiao Z, Zhang N, Lin Y, Jones GB, Goldberg IH. Spirocyclic helical compounds as binding agents for bulged RNA, including HIV-2 TAR. Chem Commun (Camb). 2006 Nov 13;(42):4431-3. doi: 10.1039/b610007d. Epub 2006 Sep 14. PMID: 17057867.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17057867/,,,,,,76632185,No,No,,,,
DBoRL591,"2,4,5,6,-tetraminopyrimidine","pyrimidine-2,4,5,6-tetramine",Nc1nc(N)c(N)c(N)n1,"InChI=1S/C4H8N6/c5-1-2(6)9-4(8)10-3(1)7/h5H2,(H6,6,7,8,9,10)",PZRKPUQWIFJRKZ-UHFFFAOYSA-N,C4H8N6,1004-74-6,140.15,-1.398267278,4,6,0,1,Mutated G riboswitch,"2,4,5,6,-tetraminopyrimidine is capable for interacting with RNA. While 2,4,5,6,-tetraminopyrimidine binds with mutated G riboswitch with 8-fold (approximately) higher affinity than to GR(C74U) i.e., guanine riboswitch. Both RNAs show similar ??G values between adenine and 2,4,5,6,-tetraminopyrimidine. For both RNAs tested, the loss of the N9/C8 atoms of the purine ring, which results in 4 kcal/mol (approximately) loss in affinity, likely reflecting not only the loss of hydrogen bonding and van der Waals interactions but also the potential energetic cost of having an internal cavity and greater flexibility in the RNA backbone. 2,4,5,6,-tetraminopyrimidine occupies exactly the same position as the six-membered ring of hypoxanthine, forming hydrogen bonding contacts with U51 and U74 consistent with those observed in both the guanine and adenine riboswitches.",17076468,,,,,,"Gilbert SD, Mediatore SJ, Batey RT. Modified pyrimidines specifically bind the purine riboswitch. J Am Chem Soc. 2006 Nov 8;128(44):14214-5. doi: 10.1021/ja063645t. PMID: 17076468.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17076468/,,,,,,70487,No,No,,,,
DBoRL592,"2,4,6-triaminopyrimidine","pyrimidine-2,4,6-triamine",Nc1cc(N)nc(N)n1,"InChI=1S/C4H7N5/c5-2-1-3(6)9-4(7)8-2/h1H,(H6,5,6,7,8,9)",JTTIOYHBNXDJOD-UHFFFAOYSA-N,C4H7N5,1004-38-2,125.135,-0.569341324,3,5,0,1,Adenine riboswitch,"2,4,6-triaminopyrimidine is capable for interacting with RNA. While 2,4,6-triaminopyrimidine binds with mutated G riboswitch with 8-fold (approximately) higher affinity than to GR(C74U) i.e., guanine riboswitch. Both RNAs show similar ??G values between adenine and 2,4,6-triaminopyrimidine. For both RNAs tested, the loss of the N9/C8 atoms of the purine ring, which results in 4 kcal/mol (approximately) loss in affinity, likely reflecting not only the loss of hydrogen bonding and van der Waals interactions but also the potential energetic cost of having an internal cavity and greater flexibility in the RNA backbone. 2,4,6-triaminopyrimidine occupies exactly the same position as the six-membered ring of hypoxanthine, forming hydrogen bonding contacts with U51 and U74 consistent with those observed in both the guanine and adenine riboswitches.",17076468,,,,,,"Gilbert SD, Mediatore SJ, Batey RT. Modified pyrimidines specifically bind the purine riboswitch. J Am Chem Soc. 2006 Nov 8;128(44):14214-5. doi: 10.1021/ja063645t. PMID: 17076468.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17076468/,,,,,,13863,No,No,,,,
DBoRL593,"2,4-Diaminopyrimidine","pyrimidine-2,4-diamine",Nc1ccnc(N)n1,"InChI=1S/C4H6N4/c5-3-1-2-7-4(6)8-3/h1-2H,(H4,5,6,7,8)",YAAWASYJIRZXSZ-UHFFFAOYSA-N,C4H6N4,156-81-0,110.12,-0.3348729,2,4,0,1,guanine riboswitch aptamer from B. subtilis,"2,4-Diaminopyrimidine, a modified pyrimidine that specifically binds to purine riboswitch and control the regulation of gene expression.",17076468,,,,,,"Gilbert SD, Mediatore SJ, Batey RT. Modified pyrimidines specifically bind the purine riboswitch. J Am Chem Soc. 2006 Nov 8;128(44):14214-5. doi: 10.1021/ja063645t. PMID: 17076468.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17076468/,,,,,,67431,No,No,,,,
DBoRL594,Melamine,"1,3,5-triazine-2,4,6-triamine",Nc1nc(N)nc(N)n1,"InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)",JDSHMPZPIAZGSV-UHFFFAOYSA-N,C3H6N6,"108-78-1,1246816-14-7,5432-64-4",126.123,-0.594687779,3,6,0,1,Mutated G riboswitch,"Melamine is capable for interacting with RNA. While Melamine binds with mutated G riboswitch with 8-fold (approximately) higher affinity than to GR(C74U) i.e., guanine riboswitch. Both RNAs show similar ??G values between adenine and Melamine. For both RNAs tested, the loss of the N9/C8 atoms of the purine ring, which results in 4 kcal/mol (approximately) loss in affinity, likely reflecting not only the loss of hydrogen bonding and van der Waals interactions but also the potential energetic cost of having an internal cavity and greater flexibility in the RNA backbone. Melamine occupies exactly the same position as the six-membered ring of hypoxanthine, forming hydrogen bonding contacts with U51 and U74 consistent with those observed in both the guanine and adenine riboswitches.",17076468,,,,,,"Gilbert SD, Mediatore SJ, Batey RT. Modified pyrimidines specifically bind the purine riboswitch. J Am Chem Soc. 2006 Nov 8;128(44):14214-5. doi: 10.1021/ja063645t. PMID: 17076468.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17076468/,,,,,,7955,No,No,,,,
DBoRL595,Berberine,"16,17-dimethoxy-5,7-dioxa-13??-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2(10),3,8,14,16,18,20-octaen-13-ylium",COC1=CC=C2C=C3C4=C(CC[N+]3=CC2=C1OC)C=C1OCOC1=C4,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",YBHILYKTIRIUTE-UHFFFAOYSA-N,C20H18NO4,2086-83-1,336.366,-1.283312286,0,4,2,5,t-RNAPhe (yeast),Berberine (cytotoxic plant alkaloids) is a lead compound that exercise high specificity to single stranded poly(A) molecules. Berberine induces apoptosis through a mitochondria/ caspase pathway in human hepatoma cells.,17156912,,,,,,"Islam MM, Sinha R, Kumar GS. RNA binding small molecules: studies on t-RNA binding by cytotoxic plant alkaloids berberine, palmatine and the comparison to ethidium. Biophys Chem. 2007 Feb;125(2-3):508-20. doi: 10.1016/j.bpc.2006.11.001. Epub 2006 Nov 10. PMID: 17156912.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17156912/,,,,,,2353,Yes,Yes,Investigational,DB04115,https://go.drugbank.com/drugs/DB04115,
DBoRL596,Ethidium,"3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium",CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21,"InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1",QTANTQQOYSUMLC-UHFFFAOYSA-O,C21H20N3,3546-21-2,314.411,-0.913257801,2,2,2,4,t-RNAPhe (yeast),Ethidium binds with t-RNAPhe (yeast) and interferes in translation process.,17156912,,,,,,"Islam MM, Sinha R, Kumar GS. RNA binding small molecules: studies on t-RNA binding by cytotoxic plant alkaloids berberine, palmatine and the comparison to ethidium. Biophys Chem. 2007 Feb;125(2-3):508-20. doi: 10.1016/j.bpc.2006.11.001. Epub 2006 Nov 10. PMID: 17156912.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17156912/,,,,,,3624,No,No,,,,
DBoRL597,Palmatine,"3,4,10,11-tetramethoxy-7,8-dihydro-6??-azatetraphen-6-ylium",COC1=CC2=C(C=C1OC)C1=CC3=CC=C(OC)C(OC)=C3C=[N+]1CC2,"InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1",QUCQEUCGKKTEBI-UHFFFAOYSA-N,C21H22NO4,3486-67-7,352.409,-1.221888285,0,4,4,4,t-RNAPhe (yeast),Palmatine (cytotoxic plant alkaloids) is a lead compound that exercise high specificity to single stranded poly(A) molecules. Palmatine bind with human tRNA and show antitumor activity in vitro and in vivo.,17156912,,,,,,"Islam MM, Sinha R, Kumar GS. RNA binding small molecules: studies on t-RNA binding by cytotoxic plant alkaloids berberine, palmatine and the comparison to ethidium. Biophys Chem. 2007 Feb;125(2-3):508-20. doi: 10.1016/j.bpc.2006.11.001. Epub 2006 Nov 10. PMID: 17156912.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17156912/,,,,,,19009,No,No,,,,
DBoRL598,Ethidium,"3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium",CC[N+]1=C(C2=CC=CC=C2)C2=CC(N)=CC=C2C2=C1C=C(N)C=C2,"InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1",QTANTQQOYSUMLC-UHFFFAOYSA-O,C21H20N3,3546-21-2,314.411,-0.913257801,2,2,2,4,t-RNAPhe (yeast),The ethidium strongly binds to t-RNA and work as intercalating agent.,17156912,,,,,,"Islam MM, Sinha R, Kumar GS. RNA binding small molecules: studies on t-RNA binding by cytotoxic plant alkaloids berberine, palmatine and the comparison to ethidium. Biophys Chem. 2007 Feb;125(2-3):508-20. doi: 10.1016/j.bpc.2006.11.001. Epub 2006 Nov 10. PMID: 17156912.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17156912/,,,,,,3624,No,No,,,,
DBoRL599,Apramycin,"(2R,3R,4S,5S,6S)-2-{[(2S,3S,4R,4aS,6S,7R,8aR)-3,7-diamino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-4-hydroxy-octahydropyrano[3,2-b]pyran-2-yl]oxy}-5-amino-6-(hydroxymethyl)oxane-3,4-diol",[NH2:17][C@@H:13]1[CH2:11][C@H:12]([NH2:18])[C@@H:14]([O:21][C@H:26]2[O:24][C@H:22]3[C@H:28]([OH:35])[C@H:29]([NH2:33])[C@H:31]([O:34][C@H:3]4[O:5][C@H:6]([CH2:9][OH:10])[C@@H:4]([NH2:7])[C@H:2]([OH:8])[C@H:1]4[OH:36])[O:30][C@@H:23]3[CH2:25][C@H:27]2[NH2:32])[C@H:16]([OH:19])[C@H:15]1[OH:20],"InChI=1S/C20H39N5O11/c21-4-1-5(22)16(14(30)11(4)27)34-18-6(23)2-7-17(35-18)13(29)10(25)19(32-7)36-20-15(31)12(28)9(24)8(3-26)33-20/h4-20,26-31H,1-3,21-25H2/t4-,5+,6-,7-,8-,9-,10+,11+,12+,13-,14-,15-,16-,17-,18+,19+,20-/m1/s1",SWLCPKBUVCTBMR-OWEFNXFWSA-N,C20H39N5O11,Not Found,525.556,-6.940690818,11,16,5,4,2OE5 RNA fragment: 5'-[(GGCGUCGCUAGUACCG/GGUACUAAAAGUCGCCC)]-3',Apramycin binds with specific sequence of 2OE5 RNA fragment and may interfere with translation process.,17258916,,,,,,"Hermann T, Tereshko V, Skripkin E, Patel DJ. Apramycin recognition by the human ribosomal decoding site. Blood Cells Mol Dis. 2007 May-Jun;38(3):193-8. doi: 10.1016/j.bcmd.2006.11.006. Epub 2007 Jan 29. PMID: 17258916.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17258916/,,,,,,Not Found,Yes,No,Experimental Vet_approved,DB04626,https://go.drugbank.com/drugs/DB04626,This is the isomeric form of the drug approved by USFDA.
DBoRL600,Apramycin,"(2R,3R,4S,5S,6S)-2-{[(2S,3S,4R,4aS,6S,7R,8aR)-3,7-diamino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-4-hydroxy-octahydropyrano[3,2-b]pyran-2-yl]oxy}-5-amino-6-(hydroxymethyl)oxane-3,4-diol",[NH2:17][C@@H:13]1[CH2:11][C@H:12]([NH2:18])[C@@H:14]([O:21][C@H:26]2[O:24][C@H:22]3[C@H:28]([OH:35])[C@H:29]([NH2:33])[C@H:31]([O:34][C@H:3]4[O:5][C@H:6]([CH2:9][OH:10])[C@@H:4]([NH2:7])[C@H:2]([OH:8])[C@H:1]4[OH:36])[O:30][C@@H:23]3[CH2:25][C@H:27]2[NH2:32])[C@H:16]([OH:19])[C@H:15]1[OH:20],"InChI=1S/C20H39N5O11/c21-4-1-5(22)16(14(30)11(4)27)34-18-6(23)2-7-17(35-18)13(29)10(25)19(32-7)36-20-15(31)12(28)9(24)8(3-26)33-20/h4-20,26-31H,1-3,21-25H2/t4-,5+,6-,7-,8-,9-,10+,11+,12+,13-,14-,15-,16-,17-,18+,19+,20-/m1/s1",SWLCPKBUVCTBMR-OWEFNXFWSA-N,C20H39N5O11,Not Found,525.556,-6.940690818,11,16,5,4,2OE8 RNA: 5'-[(GGGCGUCGCUAGUACC/CGGUACUAAAAGUCGCC)]-3',Apramycin binds with specific sequence of 2OE8 RNA fragment and may interfere with translation process.,17258916,,,,,,"Hermann T, Tereshko V, Skripkin E, Patel DJ. Apramycin recognition by the human ribosomal decoding site. Blood Cells Mol Dis. 2007 May-Jun;38(3):193-8. doi: 10.1016/j.bcmd.2006.11.006. Epub 2007 Jan 29. PMID: 17258916.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17258916/,,,,,,Not Found,Yes,No,Experimental Vet_approved,DB04626,https://go.drugbank.com/drugs/DB04626,This is the isomeric form of the drug approved by USFDA.
DBoRL601,Pleuromutilin,"4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxotricyclo[5.4.3.0?,?]tetradecan-6-yl 2-hydroxyacetate",C=CC1(C)CC(OC(=O)CO)C2(C)C(C)CCC3(CCC(=O)C32)C(C)C1O,"InChI=1/C22H34O5/c1-6-20(4)11-16(27-17(25)12-23)21(5)13(2)7-9-22(14(3)19(20)26)10-8-15(24)18(21)22/h6,13-14,16,18-19,23,26H,1,7-12H2,2-5H3",ZRZNJUXESFHSIO-UHFFFAOYNA-N,C22H34O5,Not Found,378.509,2.598029878,2,4,4,3,Large ribosomal subunit,Pleuromutilins bind to large ribosomal subunit by Induced-fit tightens mechanism and remote interactions enable their selectivity.,17360517,,,,,,"Davidovich C, Bashan A, Auerbach-Nevo T, Yaggie RD, Gontarek RR, Yonath A. Induced-fit tightens pleuromutilins binding to ribosomes and remote interactions enable their selectivity. Proc Natl Acad Sci U S A. 2007 Mar 13;104(11):4291-6. doi: 10.1073/pnas.0700041104. Epub 2007 Mar 8. PMID: 17360517; PMCID: PMC1817833.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17360517/,,,,,,31326,No,No,,,,
DBoRL602,Retapamulin,"4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxotricyclo[5.4.3.0?,?]tetradecan-6-yl 2-({8-methyl-8-azabicyclo[3.2.1]octan-3-yl}sulfanyl)acetate",C=CC1(C)CC(OC(=O)CSC2CC3CCC(C2)N3C)C2(C)C(C)CCC3(CCC(=O)C32)C(C)C1O,"InChI=1/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3",STZYTFJPGGDRJD-UHFFFAOYNA-N,C30H47NO4S,Not Found,517.77,4.373434361,1,4,6,5,Large ribosomal subunit,Retapamulin bind to large ribosomal subunit by Induced-fit tightens mechanism and remote interactions enable their selectivity. Retapamulin bind to the PTC with their core oriented similarly at the A-site and their C14 extensions pointing toward the P-site.,17360517,,,,,,"Davidovich C, Bashan A, Auerbach-Nevo T, Yaggie RD, Gontarek RR, Yonath A. Induced-fit tightens pleuromutilins binding to ribosomes and remote interactions enable their selectivity. Proc Natl Acad Sci U S A. 2007 Mar 13;104(11):4291-6. doi: 10.1073/pnas.0700041104. Epub 2007 Mar 8. PMID: 17360517; PMCID: PMC1817833.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17360517/,,,,,,73046449,Yes,Yes,,DB01256,https://go.drugbank.com/drugs/DB01256,
DBoRL603,SB-280080,"4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxotricyclo[5.4.3.0?,?]tetradecan-6-yl 2-(piperidin-4-ylsulfanyl)acetate",C=CC1(C)CC(OC(=O)CSC2CCNCC2)C2(C)C(C)CCC3(CCC(=O)C32)C(C)C1O,"InChI=1/C27H43NO4S/c1-6-25(4)15-21(32-22(30)16-33-19-9-13-28-14-10-19)26(5)17(2)7-11-27(18(3)24(25)31)12-8-20(29)23(26)27/h6,17-19,21,23-24,28,31H,1,7-16H2,2-5H3",SFYIAMCXYRXIHH-UHFFFAOYNA-N,C27H43NO4S,Not Found,477.7,3.465054817,2,4,6,4,Large ribosomal subunit from Deinococcus radiodurans ,SB-280080 binds to large ribosomal subunit by Induced-fit tightens mechanism and remote interactions enable their selectivity.,17360517,,,,,,"Davidovich C, Bashan A, Auerbach-Nevo T, Yaggie RD, Gontarek RR, Yonath A. Induced-fit tightens pleuromutilins binding to ribosomes and remote interactions enable their selectivity. Proc Natl Acad Sci U S A. 2007 Mar 13;104(11):4291-6. doi: 10.1073/pnas.0700041104. Epub 2007 Mar 8. PMID: 17360517; PMCID: PMC1817833.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17360517/,,,,,,Not Found,No,No,,,,
DBoRL604,SB-571519,"4-ethenyl-3,10-dihydroxy-2,4,7,14-tetramethyl-9-oxotricyclo[5.4.3.0?,?]tetradec-12-en-6-yl N-(6-aminopyridazine-3-carbonyl)carbamate",C=CC1(C)CC(OC(=O)NC(=O)c2ccc(N)nn2)C2(C)C(C)C=CC3(CC(O)C(=O)C32)C(C)C1O,"InChI=1/C26H34N4O6/c1-6-24(4)12-17(36-23(35)28-22(34)15-7-8-18(27)30-29-15)25(5)13(2)9-10-26(14(3)21(24)33)11-16(31)19(32)20(25)26/h6-10,13-14,16-17,20-21,31,33H,1,11-12H2,2-5H3,(H2,27,30)(H,28,34,35)",UQIPGFDHSLPFHW-UHFFFAOYNA-N,C26H34N4O6,Not Found,498.58,1.64546708,4,8,4,4,Large ribosomal subunit from Deinococcus radiodurans ,SB-571519 binds to large ribosomal subunit by Induced-fit tightens mechanism and remote interactions enable their selectivity.,17360517,,,,,,"Davidovich C, Bashan A, Auerbach-Nevo T, Yaggie RD, Gontarek RR, Yonath A. Induced-fit tightens pleuromutilins binding to ribosomes and remote interactions enable their selectivity. Proc Natl Acad Sci U S A. 2007 Mar 13;104(11):4291-6. doi: 10.1073/pnas.0700041104. Epub 2007 Mar 8. PMID: 17360517; PMCID: PMC1817833.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17360517/,,,,,,Not Found,No,No,,,,
DBoRL605,Prequeosine ,"2-amino-5-(aminomethyl)-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one",NCc1c[nH]c2[nH]c(N)nc(=O)c12,"InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)",MEYMBLGOKYDGLZ-UHFFFAOYSA-N,C7H9N5O,69251-45-2,179.183,-0.690384008,4,5,1,2,PreQ1 riboswitch,"PreQ1 riboswitch selective for the queuosine precursor preQ1 contains an unusually small aptamer domain. Despite its small size, this aptamer is highly selective for its cognate ligand in vitro and has an affinity for preQ1 in the low nanomolar range. Relatively compact RNA structures can therefore serve effectively as metabolite receptors to regulate gene expression.",17384645,,,,,,"Roth A, Winkler WC, Regulski EE, Lee BW, Lim J, Jona I, Barrick JE, Ritwik A, Kim JN, Welz R, Iwata-Reuyl D, Breaker RR. A riboswitch selective for the queuosine precursor preQ1 contains an unusually small aptamer domain. Nat Struct Mol Biol. 2007 Apr;14(4):308-17. doi: 10.1038/nsmb1224. Epub 2007 Mar 25. PMID: 17384645.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17384645/,,,,,,135398563,Yes,No,Experimental,DB03304,https://go.drugbank.com/drugs/DB03304,
DBoRL606,6'-N-5-hexynoate Kanamycin A (2),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA internal loops IL 1,6'-N-5-hexynoate Kanamycin A (2) recognises & binds to various RNA Internal Loops with various affinity.,17394189,,,,,,"Disney MD, Childs-Disney JL. Using selection to identify and chemical microarray to study the RNA internal loops recognized by 6'-N-acylated kanamycin A. Chembiochem. 2007 Apr 16;8(6):649-56. doi: 10.1002/cbic.200600569. PMID: 17394189.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17394189/,,,,,,72566866,No,No,,,,
DBoRL607,6'-N-5-hexynoate Kanamycin A (2),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA internal loops IL 2,6'-N-5-hexynoate Kanamycin A (2) recognises & binds to various RNA Internal Loops with various affinity.,17394189,,,,,,"Disney MD, Childs-Disney JL. Using selection to identify and chemical microarray to study the RNA internal loops recognized by 6'-N-acylated kanamycin A. Chembiochem. 2007 Apr 16;8(6):649-56. doi: 10.1002/cbic.200600569. PMID: 17394189.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17394189/,,,,,,72566866,No,No,,,,
DBoRL608,6'-N-5-hexynoate Kanamycin A (2),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA internal loops IL 3,6'-N-5-hexynoate Kanamycin A (2) recognises & binds to various RNA Internal Loops with various affinity.,17394189,,,,,,"Disney MD, Childs-Disney JL. Using selection to identify and chemical microarray to study the RNA internal loops recognized by 6'-N-acylated kanamycin A. Chembiochem. 2007 Apr 16;8(6):649-56. doi: 10.1002/cbic.200600569. PMID: 17394189.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17394189/,,,,,,72566866,No,No,,,,
DBoRL609,6'-N-5-hexynoate Kanamycin A (2),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA internal loops IL 4,6'-N-5-hexynoate Kanamycin A (2) recognises & binds to various RNA Internal Loops with various affinity.,17394189,,,,,,"Disney MD, Childs-Disney JL. Using selection to identify and chemical microarray to study the RNA internal loops recognized by 6'-N-acylated kanamycin A. Chembiochem. 2007 Apr 16;8(6):649-56. doi: 10.1002/cbic.200600569. PMID: 17394189.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17394189/,,,,,,72566866,No,No,,,,
DBoRL610,6'-N-5-hexynoate Kanamycin A (2),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA internal loops IL 5,6'-N-5-hexynoate Kanamycin A (2) recognises & binds to various RNA Internal Loops with various affinity.,17394189,,,,,,"Disney MD, Childs-Disney JL. Using selection to identify and chemical microarray to study the RNA internal loops recognized by 6'-N-acylated kanamycin A. Chembiochem. 2007 Apr 16;8(6):649-56. doi: 10.1002/cbic.200600569. PMID: 17394189.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17394189/,,,,,,72566866,No,No,,,,
DBoRL611,6'-N-5-hexynoate Kanamycin A (2),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA internal loops IL 6,6'-N-5-hexynoate Kanamycin A (2) recognises & binds to various RNA Internal Loops with various affinity.,17394189,,,,,,"Disney MD, Childs-Disney JL. Using selection to identify and chemical microarray to study the RNA internal loops recognized by 6'-N-acylated kanamycin A. Chembiochem. 2007 Apr 16;8(6):649-56. doi: 10.1002/cbic.200600569. PMID: 17394189.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17394189/,,,,,,72566866,No,No,,,,
DBoRL612,6'-N-5-hexynoate Kanamycin A (2),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA internal loops IL 7,6'-N-5-hexynoate Kanamycin A (2) recognises & binds to various RNA Internal Loops with various affinity.,17394189,,,,,,"Disney MD, Childs-Disney JL. Using selection to identify and chemical microarray to study the RNA internal loops recognized by 6'-N-acylated kanamycin A. Chembiochem. 2007 Apr 16;8(6):649-56. doi: 10.1002/cbic.200600569. PMID: 17394189.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17394189/,,,,,,72566866,No,No,,,,
DBoRL613,6'-N-5-hexynoate Kanamycin A (2),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA internal loops IL 8,6'-N-5-hexynoate Kanamycin A (2) recognises & binds to various RNA Internal Loops with various affinity.,17394189,,,,,,"Disney MD, Childs-Disney JL. Using selection to identify and chemical microarray to study the RNA internal loops recognized by 6'-N-acylated kanamycin A. Chembiochem. 2007 Apr 16;8(6):649-56. doi: 10.1002/cbic.200600569. PMID: 17394189.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17394189/,,,,,,72566866,No,No,,,,
DBoRL614,6'-N-5-hexynoate Kanamycin A (2),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA internal loops IL 9,6'-N-5-hexynoate Kanamycin A (2) recognises & binds to various RNA Internal Loops with various affinity.,17394189,,,,,,"Disney MD, Childs-Disney JL. Using selection to identify and chemical microarray to study the RNA internal loops recognized by 6'-N-acylated kanamycin A. Chembiochem. 2007 Apr 16;8(6):649-56. doi: 10.1002/cbic.200600569. PMID: 17394189.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17394189/,,,,,,72566866,No,No,,,,
DBoRL615,6'-N-5-hexynoate Kanamycin A (2),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA internal loops IL 10,6'-N-5-hexynoate Kanamycin A (2) recognises & binds to various RNA Internal Loops with various affinity.,17394189,,,,,,"Disney MD, Childs-Disney JL. Using selection to identify and chemical microarray to study the RNA internal loops recognized by 6'-N-acylated kanamycin A. Chembiochem. 2007 Apr 16;8(6):649-56. doi: 10.1002/cbic.200600569. PMID: 17394189.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17394189/,,,,,,72566866,No,No,,,,
DBoRL616,6'-N-5-hexynoate Kanamycin A (2),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA internal loops IL 11,6'-N-5-hexynoate Kanamycin A (2) recognises & binds to various RNA Internal Loops with various affinity.,17394189,,,,,,"Disney MD, Childs-Disney JL. Using selection to identify and chemical microarray to study the RNA internal loops recognized by 6'-N-acylated kanamycin A. Chembiochem. 2007 Apr 16;8(6):649-56. doi: 10.1002/cbic.200600569. PMID: 17394189.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17394189/,,,,,,72566866,No,No,,,,
DBoRL617,6'-N-5-hexynoate Kanamycin A (2),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA internal loops IL 12,6'-N-5-hexynoate Kanamycin A (2) recognises & binds to various RNA Internal Loops with various affinity.,17394189,,,,,,"Disney MD, Childs-Disney JL. Using selection to identify and chemical microarray to study the RNA internal loops recognized by 6'-N-acylated kanamycin A. Chembiochem. 2007 Apr 16;8(6):649-56. doi: 10.1002/cbic.200600569. PMID: 17394189.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17394189/,,,,,,72566866,No,No,,,,
DBoRL618,6'-N-5-hexynoate Kanamycin A (2),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA internal loops IL 13,6'-N-5-hexynoate Kanamycin A (2) recognises & binds to various RNA Internal Loops with various affinity.,17394189,,,,,,"Disney MD, Childs-Disney JL. Using selection to identify and chemical microarray to study the RNA internal loops recognized by 6'-N-acylated kanamycin A. Chembiochem. 2007 Apr 16;8(6):649-56. doi: 10.1002/cbic.200600569. PMID: 17394189.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17394189/,,,,,,72566866,No,No,,,,
DBoRL619,6'-N-5-hexynoate Kanamycin A (2),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,R1,6'-N-5-hexynoate Kanamycin A (2) recognises & binds to various RNA Internal Loops with various affinity.,17394189,,,,,,"Disney MD, Childs-Disney JL. Using selection to identify and chemical microarray to study the RNA internal loops recognized by 6'-N-acylated kanamycin A. Chembiochem. 2007 Apr 16;8(6):649-56. doi: 10.1002/cbic.200600569. PMID: 17394189.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17394189/,,,,,,72566866,No,No,,,,
DBoRL620,6'-N-5-hexynoate Kanamycin A (2),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,R2,6'-N-5-hexynoate Kanamycin A (2) recognises & binds to various RNA Internal Loops with various affinity.,17394189,,,,,,"Disney MD, Childs-Disney JL. Using selection to identify and chemical microarray to study the RNA internal loops recognized by 6'-N-acylated kanamycin A. Chembiochem. 2007 Apr 16;8(6):649-56. doi: 10.1002/cbic.200600569. PMID: 17394189.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17394189/,,,,,,72566866,No,No,,,,
DBoRL621,6'-N-5-hexynoate Kanamycin A (2),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,R3,6'-N-5-hexynoate Kanamycin A (2) recognises & binds to various RNA Internal Loops with various affinity.,17394189,,,,,,"Disney MD, Childs-Disney JL. Using selection to identify and chemical microarray to study the RNA internal loops recognized by 6'-N-acylated kanamycin A. Chembiochem. 2007 Apr 16;8(6):649-56. doi: 10.1002/cbic.200600569. PMID: 17394189.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17394189/,,,,,,72566866,No,No,,,,
DBoRL622,6'-N-5-hexynoate Kanamycin A (2),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,R4,6'-N-5-hexynoate Kanamycin A (2) recognises & binds to various RNA Internal Loops with various affinity.,17394189,,,,,,"Disney MD, Childs-Disney JL. Using selection to identify and chemical microarray to study the RNA internal loops recognized by 6'-N-acylated kanamycin A. Chembiochem. 2007 Apr 16;8(6):649-56. doi: 10.1002/cbic.200600569. PMID: 17394189.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17394189/,,,,,,72566866,No,No,,,,
DBoRL623,6'-N-5-hexynoate Kanamycin A (2),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,Bulk tRNA from yeast.,6'-N-5-hexynoate Kanamycin A (2) recognises & binds to various RNA Internal Loops with various affinity.,17394189,,,,,,"Disney MD, Childs-Disney JL. Using selection to identify and chemical microarray to study the RNA internal loops recognized by 6'-N-acylated kanamycin A. Chembiochem. 2007 Apr 16;8(6):649-56. doi: 10.1002/cbic.200600569. PMID: 17394189.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17394189/,,,,,,72566866,No,No,,,,
DBoRL624,Negamycin,"2-(3,6-diamino-5-hydroxy-N'-methylhexanehydrazido)acetic acid",CN(CC(=O)O)NC(=O)CC(N)CC(O)CN,"InChI=1/C9H20N4O4/c1-13(5-9(16)17)12-8(15)3-6(11)2-7(14)4-10/h6-7,14H,2-5,10-11H2,1H3,(H,12,15)(H,16,17)",IKHFJPZQZVMLRH-UHFFFAOYNA-N,C9H20N4O4,Not Found,248.283,-6.229814117,5,7,8,0,Exit Tunnel of the 50S Ribosomal Subunit,"Negamycin, a small-molecule inhibitor of protein synthesis, binds the Haloarcula marismortui 50S ribosomal subunit at a single site formed by highly conserved RNA nucleotides near the cytosolic end of the nascent chain exit tunnel. The mechanism of antibiotic action and the function of this unexplored tunnel region remain mysterious.",17664317,,,,,,"Schroeder SJ, Blaha G, Moore PB. Negamycin binds to the wall of the nascent chain exit tunnel of the 50S ribosomal subunit. Antimicrob Agents Chemother. 2007 Dec;51(12):4462-5. doi: 10.1128/AAC.00455-07. Epub 2007 Jul 30. PMID: 17664317; PMCID: PMC2167971.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17664317/,,,,,,36458,No,No,,,,
DBoRL625,Paromamine Derivative NB30,"5-amino-6-[(4,6-diamino-2-{[5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy}-3-hydroxycyclohexyl)oxy]-2-(hydroxymethyl)oxane-3,4-diol",NCC1OC(OC2C(O)C(N)CC(N)C2OC2OC(CO)C(O)C(O)C2N)C(O)C1O,"InChI=1/C17H34N4O10/c18-2-6-10(24)13(27)17(28-6)31-15-9(23)4(19)1-5(20)14(15)30-16-8(21)12(26)11(25)7(3-22)29-16/h4-17,22-27H,1-3,18-21H2",FNBQIDOUCINBIA-UHFFFAOYNA-N,C17H34N4O10,Not Found,454.477,-6.430578507,10,14,6,3,Prokaryotic Ribosomal Decoding Site,"Paromamine derivative NB30, an aminoglycoside, selectivity binds with eukaryotic and prokaryotic decoding A sites and interferes with protein translation process.",17705310,,,,,,"Kondo J, Hainrichson M, Nudelman I, Shallom-Shezifi D, Barbieri CM, Pilch DS, Westhof E, Baasov T. Differential selectivity of natural and synthetic aminoglycosides towards the eukaryotic and prokaryotic decoding A sites. Chembiochem. 2007 Sep 24;8(14):1700-9. doi: 10.1002/cbic.200700271. PMID: 17705310.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17705310/,,,,,,73321363,No,No,,,,
DBoRL626,Paromamine derivative NB33,"3-amino-4-[({3-amino-2-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl}oxy)methoxy]-6-(hydroxymethyl)oxane-2,5-diol",NC1CC(N)C(OC2OC(CO)C(O)C(OCOC3C(N)C(O)OC(CO)C3O)C2N)C(O)C1O,"InChI=1/C19H38N4O12/c20-5-1-6(21)15(14(29)11(5)26)35-19-10(23)17(13(28)8(3-25)34-19)32-4-31-16-9(22)18(30)33-7(2-24)12(16)27/h5-19,24-30H,1-4,20-23H2",BKAACSMFIQVWGC-UHFFFAOYNA-N,C19H38N4O12,Not Found,514.529,-6.997788015,11,16,8,3,Cytoplasmic Ribosomal Decoding Site,"Paromamine derivative NB33, an aminoglycoside, selectivity binds with eukaryotic and prokaryotic decoding A sites and interferes with protein translation process.",17705310,,,,,,"Kondo J, Hainrichson M, Nudelman I, Shallom-Shezifi D, Barbieri CM, Pilch DS, Westhof E, Baasov T. Differential selectivity of natural and synthetic aminoglycosides towards the eukaryotic and prokaryotic decoding A sites. Chembiochem. 2007 Sep 24;8(14):1700-9. doi: 10.1002/cbic.200700271. PMID: 17705310.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17705310/,,,,,,Not Found,No,No,,,,
DBoRL627,paromamine derivative NB33,"(2S,3R,4R,5S,6R)-3-amino-4-({[(2S,3R,4R,5S,6R)-3-amino-2-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-6-hydroperoxy-5-hydroxyoxan-4-yl]oxy}methoxy)-6-(hydroxymethyl)oxane-2,5-diol",N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](OO)[C@@H](O)[C@H](OCO[C@@H]3[C@@H](N)[C@@H](O)O[C@H](CO)[C@H]3O)[C@H]2N)[C@H](O)[C@H]1O,"InChI=1S/C18H36N4O13/c19-4-1-5(20)13(11(26)9(4)24)33-17-8(22)15(12(27)18(34-17)35-29)31-3-30-14-7(21)16(28)32-6(2-23)10(14)25/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8-,9+,10-,11-,12+,13-,14-,15-,16+,17+,18-/m1/s1",RINDHJVNUHNNHC-BSQYAXEESA-N,C18H36N4O13,Not Found,516.501,-6.282341637,11,17,8,3,2O3V RNA: 5'-[r(UUGCGUCGCUCCGGAAAAGUCGC)]-3',This synthetic aminoglycosides molecule can strongly inhibits translation. Paromamine derivative  NB33 binds to RNA hairpin constructs that model the human and E. coli rRNA A sites. This molecule is more selective for eukaryotic ribosomal RNA (rRNA) A sites than prokaryotic rRNA a sites. Paromamine derivative NB33 has the affinity to human A site sequence. Paromamine derivative NB33 binds with RNA hairpins followed by complex formation with H. sapiens cytoplasmic A site RNA and as a result the translation inhibited. ,17705310,,,,,,"Kondo J, Hainrichson M, Nudelman I, Shallom-Shezifi D, Barbieri CM, Pilch DS, Westhof E, Baasov T. Differential selectivity of natural and synthetic aminoglycosides towards the eukaryotic and prokaryotic decoding A sites. Chembiochem. 2007 Sep 24;8(14):1700-9. doi: 10.1002/cbic.200700271. PMID: 17705310.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17705310/,,,,,,Not Found,No,No,,,,
DBoRL628,Paromamine Derivative NB30,"(2R,3S,4R,5R,6S)-5-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2-{[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy}-3-hydroxycyclohexyl]oxy}-2-(hydroxymethyl)oxane-3,4-diol",NC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](N)C[C@H](N)[C@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O)[C@@H]1O,"InChI=1S/C17H34N4O10/c18-2-6-10(24)13(27)17(28-6)31-15-9(23)4(19)1-5(20)14(15)30-16-8(21)12(26)11(25)7(3-22)29-16/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1",FNBQIDOUCINBIA-VVPCINPTSA-N,C17H34N4O10,Not Found,454.477,-6.430578507,10,14,6,3,2O3x RNA: 5'-[r(UUGCGUCGCUCCGGAAAAGUCGC)]-3',"This synthetic aminoglycosides molecule can strongly inhibits translation. Paromamine derivative NB30 binds to RNA hairpin constructs that model the human and E. coli rRNA A sites. Paromamine derivative NB30 binds to the bacterial A site sequence with greater affinity than the human A site sequence. By binding with bacterial rRNA A site, Paromamine derivative NB30 form a complex with it which results to translation inhibition.",17705310,,,,,,"Kondo J, Hainrichson M, Nudelman I, Shallom-Shezifi D, Barbieri CM, Pilch DS, Westhof E, Baasov T. Differential selectivity of natural and synthetic aminoglycosides towards the eukaryotic and prokaryotic decoding A sites. Chembiochem. 2007 Sep 24;8(14):1700-9. doi: 10.1002/cbic.200700271. PMID: 17705310.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17705310/,,,,,,16750529,No,No,,,,
DBoRL629,Delfinidin,"4-(3,5-dihydroxy-7-oxo-7H-chromen-2-yl)-2,6-dihydroxybenzen-1-olate",O=c1cc2oc(-c3cc(O)c([O-])c(O)c3)c(O)cc-2c(O)c1,"InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5,17-21H/p-1",GXJDGHPXUVXIBO-UHFFFAOYSA-M,C15H9O7,Not Found,301.231,0.561224286,4,7,1,3,tRNA,The compound work as intercalating agent to tRNA. Flavonoids bind tRNA via both external and intercalation modes.,17873337,,,,,,"Kanakis C, Tarantilis P, Polissiou M, Diamantoglou S, Tajmir-Riahi H. An overview of DNA and RNA-bindings to antioxidant flavonoids. Cell Biochem. Biophys. 49(1), 29?36 (2007).",,,,,,https://pubmed.ncbi.nlm.nih.gov/17873337/,,,,,,25203213,No,No,,,,
DBoRL630,Hypoxanthine,"6,7-dihydro-1H-purin-6-one",O=c1[nH]cnc2nc[nH]c12,"InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)",FDGQSTZJBFJUBT-UHFFFAOYSA-N,C5H4N4O,"68-94-0,146469-94-5,146469-95-6,146445-70-7,51953-04-9,95121-06-5,1246820-04-1",136.114,-0.879269576,2,3,0,2,"Guanine riboswitch A21U, U75A mutant ",Mode of action is not known.,17960911,,,,,,"Gilbert SD, Love CE, Edwards AL, Batey RT. Mutational analysis of the purine riboswitch aptamer domain. Biochemistry. 2007 Nov 20;46(46):13297-309. doi: 10.1021/bi700410g. Epub 2007 Oct 26. PMID: 17960911; PMCID: PMC2556308.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17960911/,,,,,,790,Yes,No,Experimental,DB04076,https://go.drugbank.com/drugs/DB04076,
DBoRL631,6'-N-5-hexynoate Kanamycin A  (1),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA loop IL1,Mode of action is not known.,17975888,,,,,,"Childs-Disney JL, Wu M, Pushechnikov A, Aminova O, Disney MD. A small molecule microarray platform to select RNA internal loop-ligand interactions. ACS Chem Biol. 2007 Nov 20;2(11):745-54. doi: 10.1021/cb700174r. Epub 2007 Nov 2. PMID: 17975888.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17975888/,,,,,,72566866,No,No,,,,
DBoRL632,7'-N-5-hexynoate Kanamycin A  (1),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA loop IL2,Mode of action is not known.,17975888,,,,,,"Childs-Disney JL, Wu M, Pushechnikov A, Aminova O, Disney MD. A small molecule microarray platform to select RNA internal loop-ligand interactions. ACS Chem Biol. 2007 Nov 20;2(11):745-54. doi: 10.1021/cb700174r. Epub 2007 Nov 2. PMID: 17975888.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17975888/,,,,,,72566866,No,No,,,,
DBoRL633,7'-N-5-hexynoate Kanamycin A  (1),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA loop IL3,Mode of action is not known.,17975888,,,,,,"Childs-Disney JL, Wu M, Pushechnikov A, Aminova O, Disney MD. A small molecule microarray platform to select RNA internal loop-ligand interactions. ACS Chem Biol. 2007 Nov 20;2(11):745-54. doi: 10.1021/cb700174r. Epub 2007 Nov 2. PMID: 17975888.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17975888/,,,,,,72566866,No,No,,,,
DBoRL634,7'-N-5-hexynoate Kanamycin A  (1),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA loop IL4,Mode of action is not known.,17975888,,,,,,"Childs-Disney JL, Wu M, Pushechnikov A, Aminova O, Disney MD. A small molecule microarray platform to select RNA internal loop-ligand interactions. ACS Chem Biol. 2007 Nov 20;2(11):745-54. doi: 10.1021/cb700174r. Epub 2007 Nov 2. PMID: 17975888.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17975888/,,,,,,72566866,No,No,,,,
DBoRL635,7'-N-5-hexynoate Kanamycin A  (1),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA loop IL5,Mode of action is not known.,17975888,,,,,,"Childs-Disney JL, Wu M, Pushechnikov A, Aminova O, Disney MD. A small molecule microarray platform to select RNA internal loop-ligand interactions. ACS Chem Biol. 2007 Nov 20;2(11):745-54. doi: 10.1021/cb700174r. Epub 2007 Nov 2. PMID: 17975888.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17975888/,,,,,,72566866,No,No,,,,
DBoRL636,7'-N-5-hexynoate Kanamycin A  (1),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA loop IL6,Mode of action is not known.,17975888,,,,,,"Childs-Disney JL, Wu M, Pushechnikov A, Aminova O, Disney MD. A small molecule microarray platform to select RNA internal loop-ligand interactions. ACS Chem Biol. 2007 Nov 20;2(11):745-54. doi: 10.1021/cb700174r. Epub 2007 Nov 2. PMID: 17975888.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17975888/,,,,,,72566866,No,No,,,,
DBoRL637,7'-N-5-hexynoate Kanamycin A  (1),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA loop IL7,Mode of action is not known.,17975888,,,,,,"Childs-Disney JL, Wu M, Pushechnikov A, Aminova O, Disney MD. A small molecule microarray platform to select RNA internal loop-ligand interactions. ACS Chem Biol. 2007 Nov 20;2(11):745-54. doi: 10.1021/cb700174r. Epub 2007 Nov 2. PMID: 17975888.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17975888/,,,,,,72566866,No,No,,,,
DBoRL638,7'-N-5-hexynoate Kanamycin A  (1),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA loop IL8,Mode of action is not known.,17975888,,,,,,"Childs-Disney JL, Wu M, Pushechnikov A, Aminova O, Disney MD. A small molecule microarray platform to select RNA internal loop-ligand interactions. ACS Chem Biol. 2007 Nov 20;2(11):745-54. doi: 10.1021/cb700174r. Epub 2007 Nov 2. PMID: 17975888.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17975888/,,,,,,72566866,No,No,,,,
DBoRL639,7'-N-5-hexynoate Kanamycin A  (1),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA loop IL9,Mode of action is not known.,17975888,,,,,,"Childs-Disney JL, Wu M, Pushechnikov A, Aminova O, Disney MD. A small molecule microarray platform to select RNA internal loop-ligand interactions. ACS Chem Biol. 2007 Nov 20;2(11):745-54. doi: 10.1021/cb700174r. Epub 2007 Nov 2. PMID: 17975888.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17975888/,,,,,,72566866,No,No,,,,
DBoRL640,7'-N-5-hexynoate Kanamycin A  (1),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA loop IL10,Mode of action is not known.,17975888,,,,,,"Childs-Disney JL, Wu M, Pushechnikov A, Aminova O, Disney MD. A small molecule microarray platform to select RNA internal loop-ligand interactions. ACS Chem Biol. 2007 Nov 20;2(11):745-54. doi: 10.1021/cb700174r. Epub 2007 Nov 2. PMID: 17975888.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17975888/,,,,,,72566866,No,No,,,,
DBoRL641,7'-N-5-hexynoate Kanamycin A  (1),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA loop IL11,Mode of action is not known.,17975888,,,,,,"Childs-Disney JL, Wu M, Pushechnikov A, Aminova O, Disney MD. A small molecule microarray platform to select RNA internal loop-ligand interactions. ACS Chem Biol. 2007 Nov 20;2(11):745-54. doi: 10.1021/cb700174r. Epub 2007 Nov 2. PMID: 17975888.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17975888/,,,,,,72566866,No,No,,,,
DBoRL642,7'-N-5-hexynoate Kanamycin A  (1),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA loop IL12,Mode of action is not known.,17975888,,,,,,"Childs-Disney JL, Wu M, Pushechnikov A, Aminova O, Disney MD. A small molecule microarray platform to select RNA internal loop-ligand interactions. ACS Chem Biol. 2007 Nov 20;2(11):745-54. doi: 10.1021/cb700174r. Epub 2007 Nov 2. PMID: 17975888.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17975888/,,,,,,72566866,No,No,,,,
DBoRL643,7'-N-5-hexynoate Kanamycin A  (1),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA loop IL13,Mode of action is not known.,17975888,,,,,,"Childs-Disney JL, Wu M, Pushechnikov A, Aminova O, Disney MD. A small molecule microarray platform to select RNA internal loop-ligand interactions. ACS Chem Biol. 2007 Nov 20;2(11):745-54. doi: 10.1021/cb700174r. Epub 2007 Nov 2. PMID: 17975888.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17975888/,,,,,,72566866,No,No,,,,
DBoRL644,7'-N-5-hexynoate Kanamycin A  (1),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA loop IL14,Mode of action is not known.,17975888,,,,,,"Childs-Disney JL, Wu M, Pushechnikov A, Aminova O, Disney MD. A small molecule microarray platform to select RNA internal loop-ligand interactions. ACS Chem Biol. 2007 Nov 20;2(11):745-54. doi: 10.1021/cb700174r. Epub 2007 Nov 2. PMID: 17975888.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17975888/,,,,,,72566866,No,No,,,,
DBoRL645,7'-N-5-hexynoate Kanamycin A  (1),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA loop IL15,Mode of action is not known.,17975888,,,,,,"Childs-Disney JL, Wu M, Pushechnikov A, Aminova O, Disney MD. A small molecule microarray platform to select RNA internal loop-ligand interactions. ACS Chem Biol. 2007 Nov 20;2(11):745-54. doi: 10.1021/cb700174r. Epub 2007 Nov 2. PMID: 17975888.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17975888/,,,,,,72566866,No,No,,,,
DBoRL646,7'-N-5-hexynoate Kanamycin A  (1),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA loop IL16,Mode of action is not known.,17975888,,,,,,"Childs-Disney JL, Wu M, Pushechnikov A, Aminova O, Disney MD. A small molecule microarray platform to select RNA internal loop-ligand interactions. ACS Chem Biol. 2007 Nov 20;2(11):745-54. doi: 10.1021/cb700174r. Epub 2007 Nov 2. PMID: 17975888.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17975888/,,,,,,72566866,No,No,,,,
DBoRL647,"D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-->6)-O-[6-deoxy-6-[(1-oxo-5-hexyn-1-yl)amino]-alpha-D-glucopyranosyl-(1-->4)]-2-deoxy-","N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",C#CCCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA loops,The compound interacts with various RNA loops. Please see the reference for details mode of action.,17975888,,,,,,"Childs-Disney JL, Wu M, Pushechnikov A, Aminova O, Disney MD. A small molecule microarray platform to select RNA internal loop-ligand interactions. ACS Chem Biol. 2007 Nov 20;2(11):745-54. doi: 10.1021/cb700174r. Epub 2007 Nov 2. PMID: 17975888.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17975888/,,,,,,72566866,No,No,,,,
DBoRL648,Glucosamine 6-phosphate,"[(5-amino-3,4,6-trihydroxyoxan-2-yl)methoxy]phosphonic acid",NC1C(O)OC(COP(=O)(O)O)C(O)C1O,"InChI=1/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)",XHMJOUIAFHJHBW-UHFFFAOYNA-N,C6H14NO8P,Not Found,259.151,-4.175682149,6,8,3,1,T. tengcongensis glmS ribozyme,Glucosamine 6-phosphate binds with T. tengcongensis glmS ribozyme and plays important role in glmS ribozyme catalysis.,17990888,,,,,,"Essential Role of an Active-Site Guanine in glmS Ribozyme Catalysis
Daniel J. Klein, Michael D. Been, and Adrian R. Ferr?-D'Amar?
Journal of the American Chemical Society 2007 129 (48), 14858-14859
DOI: 10.1021/ja0768441 ",,,,,,https://pubmed.ncbi.nlm.nih.gov/17990888/,,,,,,609,Yes,No,Experimental,DB02657,https://go.drugbank.com/drugs/DB02657,
DBoRL649,Doxorubicin,"10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione",COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1,"InChI=1/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3",AOJJSUZBOXZQNB-UHFFFAOYNA-N,C27H29NO11,Not Found,543.525,0.538907961,6,12,5,5,HIV-1 FRAMESHIFT STEM LOOP STRUCTURE,Doxorubicin binds with HIV-1 frameshift stem loop structure and may increases the melting temperature (Tm) of the frameshift-site RNA.,18058789,,,,,,"Staple DW, Venditti V, Niccolai N, Elson-Schwab L, Tor Y, Butcher SE. Guanidinoneomycin B recognition of an HIV-1 RNA helix. Chembiochem. 2008 Jan 4;9(1):93-102. doi: 10.1002/cbic.200700251. PMID: 18058789; PMCID: PMC2782590.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18058789/,,,,,,1691,Yes,Yes,Investigational,DB00997,https://go.drugbank.com/drugs/DB00997,
DBoRL650,guanidinoneomycin B (GNB),"N-[5-amino-6-({5-[(3,5-dicarbamimidamido-2-{[(3S,5R)-3-carbamimidamido-6-(carbamimidamidomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)-3,4-dihydroxyoxan-2-yl]guanidine",NC1C(O)C(O)C(NC(N)=N)OC1OC1C(CO)OC(OC2C(O)C(CC(NC(N)=N)C2OC2OC(CNC(N)=N)[C@H](O)C(O)[C@@H]2NC(N)=N)NC(N)=N)C1O,"InChI=1S/C27H54N16O13/c28-8-12(47)14(49)19(43-27(37)38)56-20(8)54-17-7(3-44)52-22(15(17)50)55-18-10(45)4(40-24(31)32)1-5(41-25(33)34)16(18)53-21-9(42-26(35)36)13(48)11(46)6(51-21)2-39-23(29)30/h4-22,44-50H,1-3,28H2,(H4,29,30,39)(H4,31,32,40)(H4,33,34,41)(H4,35,36,42)(H4,37,38,43)/t4?,5?,6?,7?,8?,9-,10?,11-,12?,13?,14?,15?,16?,17?,18?,19?,20?,21?,22?/m0/s1",KZYJCNPKWDHKDN-YRUYNXNLSA-N,C27H54N16O13,Not Found,810.828,-9.817920499,23,29,13,4,(2JUK) HIV-1 RNA helix: ,"Guanidinoneomycin B (GNB) is an aminoglycoside antibiotic (small-molecule drug) that bind RNA. GNB binds to an RNA helix from the HIV-1 frameshift site. Binding of GNB increases the melting temperature (Tm) of the frameshift-site RNA by at least 108?C, to a point at which a melting transition is not even observed in 2M urea. GNB binding to the surface of the RNA. GNB makes major-groove contacts to two sets of Watson?Crick bases and is in van der Waals contact with a highly structured ACAA tetraloop. Rings I and II of GNB fit into the major groove and form the binding interface with the RNA, whereas rings III and IV are exposed to the solvent and disordered. The binding of GNB causes a broadening of the major groove across the binding site",18058789,,,,,,"Staple DW, Venditti V, Niccolai N, Elson-Schwab L, Tor Y, Butcher SE. Guanidinoneomycin B recognition of an HIV-1 RNA helix. Chembiochem. 2008 Jan 4;9(1):93-102. doi: 10.1002/cbic.200700251. PMID: 18058789; PMCID: PMC2782590.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18058789/,,,,,,Not Found,No,No,,,,
DBoRL651,G0B,"N1,N3-bis(diaminomethylidene)-4-({3-[(diaminomethylidene)azaniumyl]-6-{[(diaminomethylidene)azaniumyl]methyl}-4,5-dihydroxyoxan-2-yl}oxy)-5-{[4-({3-[(diaminomethylidene)azaniumyl]-6-{[(diaminomethylidene)azaniumyl]methyl}-4,5-dihydroxyoxan-2-yl}oxy)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-6-hydroxycyclohexane-1,3-bis(aminium)",NC(N)=[NH+]CC1OC(OC2C(CO)OC(OC3C(O)C([NH+]=C(N)N)CC([NH+]=C(N)N)C3OC3OC(C[NH+]=C(N)N)C(O)C(O)C3[NH+]=C(N)N)C2O)C([NH+]=C(N)N)C(O)C1O,"InChI=1/C29H58N18O13/c30-24(31)42-2-7-13(50)15(52)10(46-28(38)39)21(55-7)58-18-6(45-27(36)37)1-5(44-26(34)35)12(49)20(18)60-23-17(54)19(9(4-48)57-23)59-22-11(47-29(40)41)16(53)14(51)8(56-22)3-43-25(32)33/h5-23,48-54H,1-4H2,(H4,30,31,42)(H4,32,33,43)(H4,34,35,44)(H4,36,37,45)(H4,38,39,46)(H4,40,41,47)/p+6",PKRWVRYPYSMBDP-UHFFFAOYNA-T,C29H64N18O13,Not Found,872.941,-11.25260721,25,25,15,4,HIV-1 RNA,"Guanidinoneomycin B, an aminoglycoside antibiotic, are small-molecule drugs that bind RNA. Binding of guanidinoneomycin B (GNB) to an RNA helix from the HIV-1 frameshift site. The binding of GNB increases the melting temperature (Tm) of the frameshift-site RNA. The binding of GNB causes a broadening of the major groove across the binding site.",18058789,,,,,,"Staple DW, Venditti V, Niccolai N, Elson-Schwab L, Tor Y, Butcher SE. Guanidinoneomycin B recognition of an HIV-1 RNA helix. Chembiochem. 2008 Jan 4;9(1):93-102. doi: 10.1002/cbic.200700251. PMID: 18058789; PMCID: PMC2782590.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18058789/,,,,,,73408628,No,No,,,,
DBoRL652,"DL-trans-2,6-Diamino-4-hexenoic acid","2,6-diazaniumylhex-4-enoate",[NH3+]CC=CCC([NH3+])C(=O)[O-],"InChI=1/C6H12N2O2/c7-4-2-1-3-5(8)6(9)10/h1-2,5H,3-4,7-8H2,(H,9,10)/p+1",XDEFUBWPXAOAME-UHFFFAOYNA-O,C6H13N2O2,Not Found,145.181,-3.547767458,2,2,4,0,B.subtilis lysine riboswitch,"DL-trans-2,6-Diamino-4-hexenoic acid, an amino acid antibiotic, targets translation in bacterial system. The compound binds to L box riboswitch & interfered with the translation process.",18154269,,,,,,"1) Ataide SF, Wilson SN, Dang S, Rogers TE, Roy B, Banerjee R, Henkin TM, Ibba M. Mechanisms of resistance to an amino acid antibiotic that targets translation. ACS Chem Biol. 2007 Dec 21;2(12):819-27. doi: 10.1021/cb7002253. Erratum in: ACS Chem Biol. 2008 Feb 15;3(2):130. PMID: 18154269; PMCID: PMC2386896.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18154269/,,,,,,Not Found,No,No,,,,
DBoRL653,AEC,2-azaniumyl-2-[(2-azaniumylethyl)sulfanyl]acetate,[NH3+]CCSC([NH3+])C(=O)[O-],"InChI=1/C4H10N2O2S/c5-1-2-9-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/p+1",ZNEIIWLZFSDCAR-UHFFFAOYNA-O,C4H11N2O2S,Not Found,151.2,-3.416378279,2,2,4,0,B.subtilis lysine riboswitch,"S-(2-aminoethyl)-L-cysteine (AEC), an amino acid antibiotic, targets translation in bacterial system. S-(2-aminoethyl)-L-cysteine (AEC) binds to L box riboswitch & interfered with the translation process. ",18154269,,,,,,"1) Ataide SF, Wilson SN, Dang S, Rogers TE, Roy B, Banerjee R, Henkin TM, Ibba M. Mechanisms of resistance to an amino acid antibiotic that targets translation. ACS Chem Biol. 2007 Dec 21;2(12):819-27. doi: 10.1021/cb7002253. Erratum in: ACS Chem Biol. 2008 Feb 15;3(2):130. PMID: 18154269; PMCID: PMC2386896.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18154269/,,,,,,Not Found,No,No,,,,
DBoRL654,Paromomycin,"(2R,3S,4R,5R,6S)-5-amino-6-{[(1R,3S,4R,6S)-4,6-diamino-2-{[(2S,3R,4S,5R)-4-{[(3R,4R,5S,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl]oxy}-2-(hydroxymethyl)oxane-3,4-diol",N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)C(O[C@@H]2O[C@H](CO)[C@@H](OC3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@H]2O)[C@H]1O,"InChI=1S/C23H44N4O15/c24-5-1-6(25)18(40-21-10(26)15(34)13(32)7(2-28)37-21)20(12(5)31)42-23-17(36)19(9(4-30)39-23)41-22-11(27)16(35)14(33)8(3-29)38-22/h5-23,28-36H,1-4,24-27H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20?,21-,22?,23+/m1/s1",VCHIDEKSPVNIGR-HLEUGBHXSA-N,C23H44N4O15,Not Found,616.618,-8.201414153,13,19,9,4,3BNQ A site of human mitochondrial ribosome,Mode of action is not known.,18346970,,,,,,"Kondo J, Westhof E. The bacterial and mitochondrial ribosomal A-site molecular switches possess different conformational substates. Nucleic Acids Res. 2008 May;36(8):2654-66. doi: 10.1093/nar/gkn112. Epub 2008 Mar 16. PMID: 18346970; PMCID: PMC2377432.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18346970/,,,,,,Not Found,Yes,Yes,Investigational,DB01421,https://go.drugbank.com/drugs/DB01421,This is the isomeric form of the drug approved by USFDA.
DBoRL655,Hoechst,"4-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenol",CN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc(O)cc6)[nH]c5c4)[nH]c3c2)CC1,"InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)",INAAIJLSXJJHOZ-UHFFFAOYSA-N,C25H24N6O,23491-44-3,424.508,4.122364677,3,5,3,6,Single Stranded Poly(A),Hoechst introduce self-structure in poly(A) and directly allow the sequence for cooperative binding of the molecules to poly(A).,18387354,,,,,,"Giri P, Kumar GS. Self-structure induction in single stranded poly(A) by small molecules: Studies on DNA intercalators, partial intercalators and groove binding molecules. Arch Biochem Biophys. 2008 Jun 1;474(1):183-92. doi: 10.1016/j.abb.2008.03.013. Epub 2008 Mar 21. PMID: 18387354.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18387354/,,,,,,2392,No,No,,,,
DBoRL656,Micrococcin,"2-[(2-{2-[26-ethylidene-12,29-bis(1-hydroxyethyl)-14,21,28,31-tetraoxo-19-(propan-2-yl)-10,17,24,34-tetrathia-6,13,20,27,30,35,36,37,38-nonaazahexacyclo[30.2.1.1?,??.1??,??.1??,??.0?,?]octatriaconta-1(35),2,4,6,8,11(38),15,18(37),22,25(36),32-undecaen-5-yl]-1,3-thiazol-4-yl}-1,3-thiazol-4-yl)formamido]-N-(2-hydroxypropyl)but-2-enamide",CC=C(NC(=O)c1csc(-c2csc(-c3ccc4c(n3)-c3csc(n3)C(C(C)O)NC(=O)c3csc(n3)C(C(C)C)NC(=O)c3csc(n3)C(=CC)NC(=O)C(C(C)O)NC(=O)c3csc-4n3)n2)n1)C(=O)NCC(C)O,"InChI=1/C48H49N13O9S6/c1-8-24(37(65)49-12-20(5)62)51-38(66)28-15-73-46(56-28)32-18-74-45(58-32)26-11-10-23-36(50-26)27-13-75-48(53-27)35(22(7)64)61-41(69)31-17-76-47(57-31)33(19(3)4)59-39(67)30-16-72-44(55-30)25(9-2)52-42(70)34(21(6)63)60-40(68)29-14-71-43(23)54-29/h8-11,13-22,33-35,62-64H,12H2,1-7H3,(H,49,65)(H,51,66)(H,52,70)(H,59,67)(H,60,68)(H,61,69)",MQGFYNRGFWXAKA-UHFFFAOYNA-N,C48H49N13O9S6,Not Found,1144.36,3.90507022,9,16,10,8,L11 binding domain 50S subunit,"Micrococcin is a thiopeptide class of antibiotic which targets the GTPase-associated center (GAC) of the ribosome to inhibit translation factor function. The binding site of micrococcin (Micro) is present on the Deinococcus radiodurans large ribosomal subunit. The thiopeptide, by binding within a cleft located between the ribosomal protein L11 and helices 43 and 44 of the 23S rRNA, overlap with the position of domain V of EF-G. This way Micro perturbs translation factor binding to the ribosome. The presence of Micro leads to additional density for the C-terminal domain (CTD) of L7, adjacent to and interacting with L11. As a result L11 acts as a molecular switch to control L7 binding and plays a pivotal role in positioning one L7-CTD monomer on the G0 subdomain of EF-G to regulate EF-G turnover during protein synthesis",18406324,,,,,,"Harms JM, Wilson DN, Schluenzen F, Connell SR, Stachelhaus T, Zaborowska Z, Spahn CM, Fucini P. Translational regulation via L11: molecular switches on the ribosome turned on and off by thiostrepton and micrococcin. Mol Cell. 2008 Apr 11;30(1):26-38. doi: 10.1016/j.sdfcel.2008.01.009. PMID: 18406324.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18406324/,,,,,,3051328,No,No,,,,
DBoRL657,Nosiheptide ,"2-({2-[21-ethylidene-9,30-dihydroxy-18-(1-hydroxyethyl)-40-methyl-16,19,26,31,42,46-hexaoxo-32-oxa-3,13,23,43,49-pentathia-7,17,20,27,45,51,52,53,54,55-decaazanonacyclo[26.16.6.1?,?.1??,??.1??,??.1??,??.1??,??.0?,??.0??,??]pentapentaconta-2(55),4,6(11),7,9,12(54),14,22(53),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-1,3-thiazol-4-yl}formamido)prop-2-enamide",C=C(NC(=O)c1csc(-c2nc3c(cc2O)-c2nc(cs2)C(=O)NC(C(C)O)C(=O)NC(=CC)c2nc(cs2)C(=O)NC2CC(O)C(=O)OCc4cccc5[nH]c(c(C)c45)C(=O)SCC(NC(=O)c4csc2n4)c2nc-3cs2)n1)C(N)=O,"InChI=1/C51H43N13O12S6/c1-5-23-46-60-28(14-79-46)41(70)56-25-10-33(67)50(74)76-11-21-7-6-8-24-34(21)18(2)35(54-24)51(75)82-17-31(57-42(71)29-15-80-47(25)61-29)48-58-26(12-78-48)37-22(45-59-30(13-77-45)43(72)64-36(20(4)65)44(73)55-23)9-32(66)38(63-37)49-62-27(16-81-49)40(69)53-19(3)39(52)68/h5-9,12-16,20,25,31,33,36,54,65-67H,3,10-11,17H2,1-2,4H3,(H2,52,68)(H,53,69)(H,55,73)(H,56,70)(H,57,71)(H,64,72)",OQAOHXRUMXWDLQ-UHFFFAOYNA-N,C51H43N13O12S6,Not Found,1222.34,3.013776387,10,17,5,10,"L11 binding domain, large subunit","Nosiheptide is a thiopeptide class of antibiotic which targets the GTPase-associated center (GAC) of the ribosome to inhibit translation factor function. The binding site of nosiheptide (Nosi) is present on the Deinococcus radiodurans large ribosomal subunit. The thiopeptide, by binding within a cleft located between the ribosomal protein L11 and helices 43 and 44 of the 23S rRNA, overlap with the position of domain V of EF-G. This way Nosi perturbs translation factor binding to the ribosome.",18406324,,,,,,"Harms JM, Wilson DN, Schluenzen F, Connell SR, Stachelhaus T, Zaborowska Z, Spahn CM, Fucini P. Translational regulation via L11: molecular switches on the ribosome turned on and off by thiostrepton and micrococcin. Mol Cell. 2008 Apr 11;30(1):26-38. doi: 10.1016/j.sdfcel.2008.01.009. PMID: 18406324.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18406324/,,,,,,16130051,No,No,,,,
DBoRL658,Thiostrepton,"2-({2-[37-(butan-2-yl)-18-(2,3-dihydroxybutan-2-yl)-11-ethylidene-59-hydroxy-8,60-bis(1-hydroxyethyl)-26,40,46-trimethyl-43-methylidene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,30,36,39,42,45,48,52,58,62,63,64-pentadecaazanonacyclo[23.23.9.2??,??.1?,?.1??,??.1??,??.1??,??.1??,??.0?,??]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazol-4-yl}formamido)-N-(1-carbamoyleth-1-en-1-yl)prop-2-enamide",C=C(NC(=O)C(=C)NC(=O)c1csc(C2=NC3c4csc(n4)C4NC(=O)c5csc(n5)C(C(C)(O)C(C)O)NC(=O)C5CSC(=N5)C(=CC)NC(=O)C(C(C)O)NC(=O)c5csc(n5)C3(CC2)NC(=O)C(C)NC(=O)C(=C)NC(=O)C(C)NC(=O)C(C(C)CC)NC2C=Cc3c(C(C)O)cc(nc3C2O)C(=O)OC4C)n1)C(N)=O,"InChI=1/C72H85N19O18S5/c1-14-26(3)47-63(105)78-30(7)57(99)75-28(5)56(98)76-31(8)58(100)91-72-19-18-40(66-85-43(22-111-66)59(101)77-29(6)55(97)74-27(4)54(73)96)81-52(72)42-21-112-67(83-42)49(34(11)109-69(107)41-20-37(32(9)92)36-16-17-39(79-47)51(95)50(36)80-41)89-60(102)44-24-113-68(86-44)53(71(13,108)35(12)94)90-62(104)45-23-110-65(84-45)38(15-2)82-64(106)48(33(10)93)88-61(103)46-25-114-70(72)87-46/h15-17,20-22,24-26,30-35,39,45,47-49,51-53,79,92-95,108H,4-6,14,18-19,23H2,1-3,7-13H3,(H2,73,96)(H,74,97)(H,75,99)(H,76,98)(H,77,101)(H,78,105)(H,82,106)(H,88,103)(H,89,102)(H,90,104)(H,91,100)",NSFFHOGKXHRQEW-UHFFFAOYNA-N,C72H85N19O18S5,Not Found,1664.89,-1.811458563,17,25,12,10,L11 BD RNA,"Thiostrepton (Thio) is a thiopeptide class of antibiotic which targets the GTPase-associated center (GAC) of the ribosome to inhibit translation factor function. The binding site of Thio is present on the Deinococcus radiodurans large ribosomal subunit. The thiopeptide, by binding within a cleft located between the ribosomal protein L11 and helices 43 and 44 of the 23S rRNA, overlap with the position of domain V of EF-G. This way Thio perturbs translation factor binding to the ribosome. ",18406324,,,,,,"Harms JM, Wilson DN, Schluenzen F, Connell SR, Stachelhaus T, Zaborowska Z, Spahn CM, Fucini P. Translational regulation via L11: molecular switches on the ribosome turned on and off by thiostrepton and micrococcin. Mol Cell. 2008 Apr 11;30(1):26-38. doi: 10.1016/j.sdfcel.2008.01.009. PMID: 18406324.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18406324/,,,,,,16129995,Yes,No,Vet_approved,DB11467,https://go.drugbank.com/drugs/DB11467,This is the isomeric form of the drug approved by USFDA.
DBoRL659,Ribostamycin,"(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2-{[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl]oxy}oxane-3,4-diol",NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2OC2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,"InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17?/m1/s1",NSKGQURZWSPSBC-IOEFKOJYSA-N,C17H34N4O10,Not Found,454.477,-6.430578507,10,14,6,3,3C3Z HIV-1 subtype F genomic RNA (extended duplex RNA ),"Dimerization of the genomic RNA is a key step in retroviral replication. In HIV-1, the dimerization initiation site (DIS) is a conserved stem-loop of viral RNA containing a six nucleotide self-complementary sequence in the loop that promotes viral genome dimerization by forming a kissing-loop complex. The complex stabilized into an extended duplex by the viral nucleocapsid NCp7 protein. Ribostamycin, an aminoglycoside antibiotic, binds with the duplex form of the HIV-1 genomic RNA dimerization initiation site, results viral genome dimerization become halt.",18435520,,,,,,"Freisz S, Lang K, Micura R, Dumas P, Ennifar E. Binding of aminoglycoside antibiotics to the duplex form of the HIV-1 genomic RNA dimerization initiation site. Angew Chem Int Ed Engl. 2008;47(22):4110-3. doi: 10.1002/anie.200800726. PMID: 18435520.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18435520/,,,,,,53486171,Yes,Yes,Experimental,DB03615,https://go.drugbank.com/drugs/DB03615,
DBoRL660,Paromomycin,"(2R,3S,4R,5R,6S)-5-amino-6-{[(1R,3S,4R,6S)-4,6-diamino-2-{[(2S,3R,4S,5R)-4-{[(3R,4R,5S,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl]oxy}-2-(hydroxymethyl)oxane-3,4-diol",N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)C(O[C@@H]2O[C@H](CO)[C@@H](OC3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@H]2O)[C@H]1O,"InChI=1S/C23H44N4O15/c24-5-1-6(25)18(40-21-10(26)15(34)13(32)7(2-28)37-21)20(12(5)31)42-23-17(36)19(9(4-30)39-23)41-22-11(27)16(35)14(33)8(3-29)38-22/h5-23,28-36H,1-4,24-27H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20?,21-,22?,23+/m1/s1",VCHIDEKSPVNIGR-HLEUGBHXSA-N,C23H44N4O15,Not Found,616.618,-8.201414153,13,19,9,4,3C44 HIV-1 subtype F genomic RNA (extended duplex RNA ),"Dimerization of the genomic RNA is a key step in retroviral replication. In HIV-1, the dimerization initiation site (DIS) is a conserved stem-loop of viral RNA containing a six nucleotide self-complementary sequence in the loop that promotes viral genome dimerization by forming a kissing-loop complex. The complex stabilized into an extended duplex by the viral nucleocapsid NCp7 protein. Paromomycin, an aminoglycoside antibiotic, binds with the duplex form of the HIV-1 genomic RNA dimerization initiation site, results viral genome dimerization become halt.",18435520,,,,,,"Freisz S, Lang K, Micura R, Dumas P, Ennifar E. Binding of aminoglycoside antibiotics to the duplex form of the HIV-1 genomic RNA dimerization initiation site. Angew Chem Int Ed Engl. 2008;47(22):4110-3. doi: 10.1002/anie.200800726. PMID: 18435520.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18435520/,,,,,,Not Found,Yes,Yes,Investigational,DB01421,https://go.drugbank.com/drugs/DB01421,This is the isomeric form of the drug approved by USFDA.
DBoRL661,Lividomycin,"(3S,4S,5S,6R)-2-{[(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,4R,5S)-5-{[(2R,3S,5R,6S)-3,5-diamino-2-{[(2R,5R,6S)-3-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl]oxy}-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}-4-hydroxyoxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol",NC[C@@H]1O[C@H](OC2[C@@H](CO)O[C@@H](OC3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@@H]3O[C@@H](CO)[C@H](O)CC3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,"InChI=1S/C29H55N5O18/c30-3-11-23(51-28-20(43)19(42)17(40)13(5-36)47-28)18(41)15(34)27(45-11)50-24-14(6-37)48-29(21(24)44)52-25-16(39)7(31)1-8(32)22(25)49-26-9(33)2-10(38)12(4-35)46-26/h7-29,35-44H,1-6,30-34H2/t7-,8+,9?,10-,11+,12+,13-,14-,15-,16+,17-,18-,19+,20+,21-,22-,23-,24?,25?,26+,27-,28?,29+/m1/s1",DBLVDAUGBTYDFR-RPDAFRIISA-N,C29H55N5O18,Not Found,761.776,-9.388836914,15,23,12,5,3C5D HIV-1 subtype F genomic RNA (extended duplex RNA ),"Dimerization of the genomic RNA is a key step in retroviral replication. In HIV-1, the dimerization initiation site (DIS) is a conserved stem-loop of viral RNA containing a six nucleotide self-complementary sequence in the loop that promotes viral genome dimerization by forming a kissing-loop complex. The complex stabilized into an extended duplex by the viral nucleocapsid NCp7 protein. Lividomycin, an aminoglycoside antibiotic, binds with the duplex form of the HIV-1 genomic RNA dimerization initiation site, results viral genome dimerization become halt.",18435520,,,,,,"Freisz S, Lang K, Micura R, Dumas P, Ennifar E. Binding of aminoglycoside antibiotics to the duplex form of the HIV-1 genomic RNA dimerization initiation site. Angew Chem Int Ed Engl. 2008;47(22):4110-3. doi: 10.1002/anie.200800726. PMID: 18435520.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18435520/,,,,,,Not Found,Yes,No,Experimental,DB04728,https://go.drugbank.com/drugs/DB04728,This is the isomeric form of the drug approved by USFDA.
DBoRL662,[{PtCl(tmen)}(2){HNC(13)H(7)(NHCH(2)CH(2))(2)}](+) (PRPt),,[H:20][N:17]([CH2:22][CH2:23][Pt:1]1([Cl:2])[N:28]([CH3:34])([CH3:35])[CH2:29][CH2:30][N:31]([CH3:32])[CH2:33][CH2:42][N:39]([CH3:43])[CH2:38][CH2:37][N:36]1([CH3:40])[CH3:41])[C:16]1=[CH:15][C:12]2=[N+:11]([H:19])[C:4]3=[CH:6][C:8](=[CH:7][CH:5]=[C:3]3[CH:9]=[C:10]2[CH:13]=[CH:14]1)[N:18]([H:21])[CH2:24][CH2:25][Pt:26]1([Cl:27])[NH:45][CH2:46][CH2:47][N:50]([CH3:52])[CH2:53][CH2:55][N:51]([CH3:54])[CH2:49][CH2:48][NH:44]1,"InChI=1S/C17H17N3.C12H30N4.C8H20N4.2ClH.2Pt/c1-3-18-14-7-5-12-9-13-6-8-15(19-4-2)11-17(13)20-16(12)10-14;1-13(2)7-9-15(5)11-12-16(6)10-8-14(3)4;1-11(5-3-9)7-8-12(2)6-4-10;;;;/h5-11,18-19H,1-4H2;7-12H2,1-6H3;9-10H,3-8H2,1-2H3;2*1H;;/q;;-2;;;+1;+3/p-1",ONNCKQHVDVHDCA-UHFFFAOYSA-M,C37H68Cl2N11Pt2,Not Found,1128.1,,0,0,8,5,poly(rA)? poly(rU),[{PtCl(tmen)}(2){HNC(13)H(7)(NHCH(2)CH(2))(2)}](+) (PRPt) binds to the third strand of RNA triplex (specifically Poly(rA)?poly(rU) region) and stabilize the structure thermodynamically. ,18491933,,,,,,"Garc?a B, Leal JM, Paiotta V, Ruiz R, Secco F, Venturini M. Role of the third strand in the binding of proflavine and pt-proflavine to poly(rA).2poly(rU): a thermodynamic and kinetic study. J Phys Chem B. 2008 Jun 12;112(23):7132-9. doi: 10.1021/jp800163n. Epub 2008 May 21. PMID: 18491933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18491933/,,,,,,Not Found,No,No,,,,
DBoRL663,Proflavine (PR),"acridine-3,6-diamine",NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1,"InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2",WDVSHHCDHLJJJR-UHFFFAOYSA-N,C13H11N3,"92-62-6,1811-28-5",209.252,1.848375646,2,3,0,3,poly(rA)? poly(rU),Proflavine (PR) binds to the third strand of RNA triplex (specifically Poly(rA)?poly(rU) region) and stabilize the structure thermodynamically. ,18491933,,,,,,"Garc?a B, Leal JM, Paiotta V, Ruiz R, Secco F, Venturini M. Role of the third strand in the binding of proflavine and pt-proflavine to poly(rA).2poly(rU): a thermodynamic and kinetic study. J Phys Chem B. 2008 Jun 12;112(23):7132-9. doi: 10.1021/jp800163n. Epub 2008 May 21. PMID: 18491933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18491933/,,,,,,7099,Yes,Yes,,DB01123,https://go.drugbank.com/drugs/DB01123,
DBoRL664,Proflavine (PR),"acridine-3,6-diamine",NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1,"InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2",WDVSHHCDHLJJJR-UHFFFAOYSA-N,C13H11N3,"92-62-6,1811-28-5",209.252,1.848375646,2,3,0,3,poly(rA)? 2poly(rU),Proflavine binds to the third strand of RNA triplex (specifically Poly(rA)? 2poly(rU) region) and stabilizes the structure thermodynamically. ,18491933,,,,,,"Garc?a B, Leal JM, Paiotta V, Ruiz R, Secco F, Venturini M. Role of the third strand in the binding of proflavine and pt-proflavine to poly(rA).2poly(rU): a thermodynamic and kinetic study. J Phys Chem B. 2008 Jun 12;112(23):7132-9. doi: 10.1021/jp800163n. Epub 2008 May 21. PMID: 18491933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18491933/,,,,,,7099,Yes,Yes,,DB01123,https://go.drugbank.com/drugs/DB01123,
DBoRL665,[{PtCl(tmen)}(2){HNC(13)H(7)(NHCH(2)CH(2))(2)}](+) (PRPt) ,,[H:20][N:17]([CH2:22][CH2:23][Pt:1]1([Cl:2])[N:28]([CH3:34])([CH3:35])[CH2:29][CH2:30][N:31]([CH3:32])[CH2:33][CH2:42][N:39]([CH3:43])[CH2:38][CH2:37][N:36]1([CH3:40])[CH3:41])[C:16]1=[CH:15][C:12]2=[N+:11]([H:19])[C:4]3=[CH:6][C:8](=[CH:7][CH:5]=[C:3]3[CH:9]=[C:10]2[CH:13]=[CH:14]1)[N:18]([H:21])[CH2:24][CH2:25][Pt:26]1([Cl:27])[NH:45][CH2:46][CH2:47][N:50]([CH3:52])[CH2:53][CH2:55][N:51]([CH3:54])[CH2:49][CH2:48][NH:44]1,"InChI=1S/C17H17N3.C12H30N4.C8H20N4.2ClH.2Pt/c1-3-18-14-7-5-12-9-13-6-8-15(19-4-2)11-17(13)20-16(12)10-14;1-13(2)7-9-15(5)11-12-16(6)10-8-14(3)4;1-11(5-3-9)7-8-12(2)6-4-10;;;;/h5-11,18-19H,1-4H2;7-12H2,1-6H3;9-10H,3-8H2,1-2H3;2*1H;;/q;;-2;;;+1;+3/p-1",ONNCKQHVDVHDCA-UHFFFAOYSA-M,C37H68Cl2N11Pt2,Not Found,1128.1,,0,0,8,5,poly(rA)? 2poly(rU),The compound binds to the third strand of RNA triplex (specifically Poly(rA)? 2poly(rU) region) and stabilizes the structure thermodynamically. ,18491933,,,,,,"Garc?a B, Leal JM, Paiotta V, Ruiz R, Secco F, Venturini M. Role of the third strand in the binding of proflavine and pt-proflavine to poly(rA).2poly(rU): a thermodynamic and kinetic study. J Phys Chem B. 2008 Jun 12;112(23):7132-9. doi: 10.1021/jp800163n. Epub 2008 May 21. PMID: 18491933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18491933/,,,,,,Not Found,No,No,,,,
DBoRL666,Linezolid,"N-({3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide",CC(=O)NCC1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1,"InChI=1/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)",TYZROVQLWOKYKF-UHFFFAOYNA-N,C16H20FN3O4,Not Found,337.351,0.636663652,1,5,4,3,Bacterial ribosome,"Linezolid, an oxazolidinone antibiotic, bound to the 50S Ribosomal Subunit. Linezolid binds to 50S A-site, near the catalytic center, which suggests that inhibition involves competition with incoming A-site substrates.",18494460,,,,,,"Ippolito JA, Kanyo ZF, Wang D, Franceschi FJ, Moore PB, Steitz TA, Duffy EM. Crystal structure of the oxazolidinone antibiotic linezolid bound to the 50S ribosomal subunit. J Med Chem. 2008 Jun 26;51(12):3353-6. doi: 10.1021/jm800379d. PMID: 18494460.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18494460/,,,,,,3929,Yes,Yes,Investigational,DB00601,https://go.drugbank.com/drugs/DB00601,
DBoRL667,Compound 1,"[(4R,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl 2-phenylacetate",O=C(CC1=CC=CC=C1)OC[C@H]1OC(=O)N[C@@H]1CC1=CC=CC=C1,"InChI=1S/C19H19NO4/c21-18(12-15-9-5-2-6-10-15)23-13-17-16(20-19(22)24-17)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,20,22)/t16-,17-/m1/s1",BRSHZFHRHVMZRB-IAGOWNOFSA-N,C19H19NO4,Not Found,325.364,3.359185611,1,2,7,3,T-box riboswitch antiterminator model RNA AM1A,"The compound is a 4,5-Disubstituted oxazolidinone which has high affinity molecular effectors of RNA function that modulate the transcription antitermination function of the T box riboswitch. T box transcription antitermination system is a riboswitch found primarily in Gram-positive bacteria which monitors the aminoacylation of the cognate tRNA and regulates a variety of amino acid-related genes. ",18502126,,,,,,"Anupam R, Nayek A, Green NJ, Grundy FJ, Henkin TM, Means JA, Bergmeier SC, Hines JV. 4,5-Disubstituted oxazolidinones: High affinity molecular effectors of RNA function. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3541-4. doi: 10.1016/j.bmcl.2008.05.015. Epub 2008 May 6. PMID: 18502126; PMCID: PMC2526248.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18502126/,,,,,,16007206,No,No,,,,
DBoRL668,Compound 2a,"[(4R,5S)-4-{[methyl(phenyl)amino]methyl}-2-oxo-1,3-oxazolidin-5-yl]methyl 2-phenylacetate",CN(C[C@H]1NC(=O)O[C@@H]1COC(=O)CC1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C20H22N2O4/c1-22(16-10-6-3-7-11-16)13-17-18(26-20(24)21-17)14-25-19(23)12-15-8-4-2-5-9-15/h2-11,17-18H,12-14H2,1H3,(H,21,24)/t17-,18-/m1/s1",XJPOGWCLZJYSGE-QZTJIDSGSA-N,C20H22N2O4,Not Found,354.406,3.25581602,1,3,8,3,T-box riboswitch antiterminator model RNA AM1A,"The compound is a 4,5-Disubstituted oxazolidinone which has high affinity molecular effectors of RNA function that modulate the transcription antitermination function of the T box riboswitch. T box transcription antitermination system is a riboswitch found primarily in Gram-positive bacteria which monitors the aminoacylation of the cognate tRNA and regulates a variety of amino acid-related genes. ",18502126,,,,,,"Anupam R, Nayek A, Green NJ, Grundy FJ, Henkin TM, Means JA, Bergmeier SC, Hines JV. 4,5-Disubstituted oxazolidinones: High affinity molecular effectors of RNA function. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3541-4. doi: 10.1016/j.bmcl.2008.05.015. Epub 2008 May 6. PMID: 18502126; PMCID: PMC2526248.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18502126/,,,,,,44449713,No,No,,,,
DBoRL669,Compound 2b,"[(4R,5S)-4-{[methyl(phenyl)amino]methyl}-2-oxo-1,3-oxazolidin-5-yl]methyl octanoate",CCCCCCCC(=O)OC[C@H]1OC(=O)N[C@@H]1CN(C)C1=CC=CC=C1,"InChI=1S/C20H30N2O4/c1-3-4-5-6-10-13-19(23)25-15-18-17(21-20(24)26-18)14-22(2)16-11-8-7-9-12-16/h7-9,11-12,17-18H,3-6,10,13-15H2,1-2H3,(H,21,24)/t17-,18-/m1/s1",FUIRLDAWKABSCX-QZTJIDSGSA-N,C20H30N2O4,Not Found,362.47,4.344855372,1,3,12,2,T-box riboswitch antiterminator model RNA AM1A,"The compound is a 4,5-Disubstituted oxazolidinone which has high affinity molecular effectors of RNA function that modulate the transcription antitermination function of the T box riboswitch. T box transcription antitermination system is a riboswitch found primarily in Gram-positive bacteria which monitors the aminoacylation of the cognate tRNA and regulates a variety of amino acid-related genes. ",18502126,,,,,,"Anupam R, Nayek A, Green NJ, Grundy FJ, Henkin TM, Means JA, Bergmeier SC, Hines JV. 4,5-Disubstituted oxazolidinones: High affinity molecular effectors of RNA function. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3541-4. doi: 10.1016/j.bmcl.2008.05.015. Epub 2008 May 6. PMID: 18502126; PMCID: PMC2526248.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18502126/,,,,,,44449643,No,No,,,,
DBoRL670,Compound 2c,"[(4R,5S)-2-oxo-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-5-yl]methyl 2-phenylacetate",O=C(CC1=CC=CC=C1)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(CC1)C1=CC=CC=C1,"InChI=1S/C23H27N3O4/c27-22(15-18-7-3-1-4-8-18)29-17-21-20(24-23(28)30-21)16-25-11-13-26(14-12-25)19-9-5-2-6-10-19/h1-10,20-21H,11-17H2,(H,24,28)/t20-,21-/m1/s1",PEYFDUDIYDGOOB-NHCUHLMSSA-N,C23H27N3O4,Not Found,409.486,3.102935599,1,4,8,4,T-box riboswitch antiterminator model RNA AM1A,"The compound is a 4,5-Disubstituted oxazolidinone which has high affinity molecular effectors of RNA function that modulate the transcription antitermination function of the T box riboswitch. T box transcription antitermination system is a riboswitch found primarily in Gram-positive bacteria which monitors the aminoacylation of the cognate tRNA and regulates a variety of amino acid-related genes. ",18502126,,,,,,"Anupam R, Nayek A, Green NJ, Grundy FJ, Henkin TM, Means JA, Bergmeier SC, Hines JV. 4,5-Disubstituted oxazolidinones: High affinity molecular effectors of RNA function. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3541-4. doi: 10.1016/j.bmcl.2008.05.015. Epub 2008 May 6. PMID: 18502126; PMCID: PMC2526248.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18502126/,,,,,,24821056,No,No,,,,
DBoRL671,Compound 2d,"[(4R,5S)-2-oxo-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-5-yl]methyl N-(4-acetylphenyl)carbamate",CC(=O)C1=CC=C(NC(=O)OC[C@H]2OC(=O)N[C@@H]2CN2CCN(CC2)C2=CC=CC=C2)C=C1,"InChI=1S/C24H28N4O5/c1-17(29)18-7-9-19(10-8-18)25-23(30)32-16-22-21(26-24(31)33-22)15-27-11-13-28(14-12-27)20-5-3-2-4-6-20/h2-10,21-22H,11-16H2,1H3,(H,25,30)(H,26,31)/t21-,22-/m1/s1",ADHPYHCSGCLCMN-FGZHOGPDSA-N,C24H28N4O5,Not Found,452.511,2.733942275,2,6,8,4,T-box riboswitch antiterminator model RNA AM1A,"The compound is a 4,5-Disubstituted oxazolidinone which has high affinity molecular effectors of RNA function that modulate the transcription antitermination function of the T box riboswitch. T box transcription antitermination system is a riboswitch found primarily in Gram-positive bacteria which monitors the aminoacylation of the cognate tRNA and regulates a variety of amino acid-related genes. ",18502126,,,,,,"Anupam R, Nayek A, Green NJ, Grundy FJ, Henkin TM, Means JA, Bergmeier SC, Hines JV. 4,5-Disubstituted oxazolidinones: High affinity molecular effectors of RNA function. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3541-4. doi: 10.1016/j.bmcl.2008.05.015. Epub 2008 May 6. PMID: 18502126; PMCID: PMC2526248.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18502126/,,,,,,24821057,No,No,,,,
DBoRL672,Compound 2e,"[(4R,5S)-4-{[methyl(2-phenylethyl)amino]methyl}-2-oxo-1,3-oxazolidin-5-yl]methyl 2-phenylacetate",CN(CCC1=CC=CC=C1)C[C@H]1NC(=O)O[C@@H]1COC(=O)CC1=CC=CC=C1,"InChI=1S/C22H26N2O4/c1-24(13-12-17-8-4-2-5-9-17)15-19-20(28-22(26)23-19)16-27-21(25)14-18-10-6-3-7-11-18/h2-11,19-20H,12-16H2,1H3,(H,23,26)/t19-,20-/m1/s1",HKIHRCWOVYXQSK-WOJBJXKFSA-N,C22H26N2O4,Not Found,382.46,3.377830133,1,3,10,3,T-box riboswitch antiterminator model RNA AM1A,"The compound is a 4,5-Disubstituted oxazolidinone which has high affinity molecular effectors of RNA function that modulate the transcription antitermination function of the T box riboswitch. T box transcription antitermination system is a riboswitch found primarily in Gram-positive bacteria which monitors the aminoacylation of the cognate tRNA and regulates a variety of amino acid-related genes. ",18502126,,,,,,"Anupam R, Nayek A, Green NJ, Grundy FJ, Henkin TM, Means JA, Bergmeier SC, Hines JV. 4,5-Disubstituted oxazolidinones: High affinity molecular effectors of RNA function. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3541-4. doi: 10.1016/j.bmcl.2008.05.015. Epub 2008 May 6. PMID: 18502126; PMCID: PMC2526248.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18502126/,,,,,,44449540,No,No,,,,
DBoRL673,Compound 2f,"1-{[(4R,5S)-2-oxo-5-{[(2-phenylacetyl)oxy]methyl}-1,3-oxazolidin-4-yl]methyl}morpholin-1-ium",O=C(CC1=CC=CC=C1)OC[C@H]1OC(=O)N[C@@H]1C[O+]1CCNCC1,"InChI=1S/C17H22N2O5/c20-16(10-13-4-2-1-3-5-13)22-11-15-14(19-17(21)23-15)12-24-8-6-18-7-9-24/h1-5,14-15,18H,6-12H2/p+1/t14-,15-/m1/s1",GZBXLWDXKMXLSG-HUUCEWRRSA-O,C17H23N2O5,Not Found,335.379,0.1575,2,4,7,3,T-box riboswitch antiterminator model RNA AM1A,"The compound is a 4,5-Disubstituted oxazolidinone which has high affinity molecular effectors of RNA function that modulate the transcription antitermination function of the T box riboswitch. T box transcription antitermination system is a riboswitch found primarily in Gram-positive bacteria which monitors the aminoacylation of the cognate tRNA and regulates a variety of amino acid-related genes. ",18502126,,,,,,"Anupam R, Nayek A, Green NJ, Grundy FJ, Henkin TM, Means JA, Bergmeier SC, Hines JV. 4,5-Disubstituted oxazolidinones: High affinity molecular effectors of RNA function. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3541-4. doi: 10.1016/j.bmcl.2008.05.015. Epub 2008 May 6. PMID: 18502126; PMCID: PMC2526248.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18502126/,,,,,,Not Found,No,No,,,,
DBoRL674,Compound 1,"[(4R,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl 2-phenylacetate",O=C(CC1=CC=CC=C1)OC[C@H]1OC(=O)N[C@@H]1CC1=CC=CC=C1,"InChI=1S/C19H19NO4/c21-18(12-15-9-5-2-6-10-15)23-13-17-16(20-19(22)24-17)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,20,22)/t16-,17-/m1/s1",BRSHZFHRHVMZRB-IAGOWNOFSA-N,C19H19NO4,Not Found,325.364,3.359185611,1,2,7,3,AM1A(C11U) RNA,"The compound is a 4,5-Disubstituted oxazolidinone which has high affinity molecular effectors of RNA function that modulate the transcription antitermination function of the T box riboswitch. T box transcription antitermination system is a riboswitch found primarily in Gram-positive bacteria which monitors the aminoacylation of the cognate tRNA and regulates a variety of amino acid-related genes. ",18502126,,,,,,"Anupam R, Nayek A, Green NJ, Grundy FJ, Henkin TM, Means JA, Bergmeier SC, Hines JV. 4,5-Disubstituted oxazolidinones: High affinity molecular effectors of RNA function. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3541-4. doi: 10.1016/j.bmcl.2008.05.015. Epub 2008 May 6. PMID: 18502126; PMCID: PMC2526248.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18502126/,,,,,,16007206,No,No,,,,
DBoRL675,Compound 2a,"[(4R,5S)-4-{[methyl(phenyl)amino]methyl}-2-oxo-1,3-oxazolidin-5-yl]methyl 2-phenylacetate",CN(C[C@H]1NC(=O)O[C@@H]1COC(=O)CC1=CC=CC=C1)C1=CC=CC=C1,"InChI=1S/C20H22N2O4/c1-22(16-10-6-3-7-11-16)13-17-18(26-20(24)21-17)14-25-19(23)12-15-8-4-2-5-9-15/h2-11,17-18H,12-14H2,1H3,(H,21,24)/t17-,18-/m1/s1",XJPOGWCLZJYSGE-QZTJIDSGSA-N,C20H22N2O4,Not Found,354.406,3.25581602,1,3,8,3,AM1A(C11U) RNA,"The compound is a 4,5-Disubstituted oxazolidinone which has high affinity molecular effectors of RNA function that modulate the transcription antitermination function of the T box riboswitch. T box transcription antitermination system is a riboswitch found primarily in Gram-positive bacteria which monitors the aminoacylation of the cognate tRNA and regulates a variety of amino acid-related genes. ",18502126,,,,,,"Anupam R, Nayek A, Green NJ, Grundy FJ, Henkin TM, Means JA, Bergmeier SC, Hines JV. 4,5-Disubstituted oxazolidinones: High affinity molecular effectors of RNA function. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3541-4. doi: 10.1016/j.bmcl.2008.05.015. Epub 2008 May 6. PMID: 18502126; PMCID: PMC2526248.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18502126/,,,,,,44449713,No,No,,,,
DBoRL676,Compound 2b,"[(4R,5S)-4-{[methyl(phenyl)amino]methyl}-2-oxo-1,3-oxazolidin-5-yl]methyl octanoate",CCCCCCCC(=O)OC[C@H]1OC(=O)N[C@@H]1CN(C)C1=CC=CC=C1,"InChI=1S/C20H30N2O4/c1-3-4-5-6-10-13-19(23)25-15-18-17(21-20(24)26-18)14-22(2)16-11-8-7-9-12-16/h7-9,11-12,17-18H,3-6,10,13-15H2,1-2H3,(H,21,24)/t17-,18-/m1/s1",FUIRLDAWKABSCX-QZTJIDSGSA-N,C20H30N2O4,Not Found,362.47,4.344855372,1,3,12,2,AM1A(C11U) RNA,"The compound is a 4,5-Disubstituted oxazolidinone which has high affinity molecular effectors of RNA function that modulate the transcription antitermination function of the T box riboswitch. T box transcription antitermination system is a riboswitch found primarily in Gram-positive bacteria which monitors the aminoacylation of the cognate tRNA and regulates a variety of amino acid-related genes. ",18502126,,,,,,"Anupam R, Nayek A, Green NJ, Grundy FJ, Henkin TM, Means JA, Bergmeier SC, Hines JV. 4,5-Disubstituted oxazolidinones: High affinity molecular effectors of RNA function. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3541-4. doi: 10.1016/j.bmcl.2008.05.015. Epub 2008 May 6. PMID: 18502126; PMCID: PMC2526248.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18502126/,,,,,,44449643,No,No,,,,
DBoRL677,Compound 2c,"[(4R,5S)-2-oxo-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-5-yl]methyl 2-phenylacetate",O=C(CC1=CC=CC=C1)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(CC1)C1=CC=CC=C1,"InChI=1S/C23H27N3O4/c27-22(15-18-7-3-1-4-8-18)29-17-21-20(24-23(28)30-21)16-25-11-13-26(14-12-25)19-9-5-2-6-10-19/h1-10,20-21H,11-17H2,(H,24,28)/t20-,21-/m1/s1",PEYFDUDIYDGOOB-NHCUHLMSSA-N,C23H27N3O4,Not Found,409.486,3.102935599,1,4,8,4,AM1A(C11U) RNA,"The compound is a 4,5-Disubstituted oxazolidinone which has high affinity molecular effectors of RNA function that modulate the transcription antitermination function of the T box riboswitch. T box transcription antitermination system is a riboswitch found primarily in Gram-positive bacteria which monitors the aminoacylation of the cognate tRNA and regulates a variety of amino acid-related genes. ",18502126,,,,,,"Anupam R, Nayek A, Green NJ, Grundy FJ, Henkin TM, Means JA, Bergmeier SC, Hines JV. 4,5-Disubstituted oxazolidinones: High affinity molecular effectors of RNA function. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3541-4. doi: 10.1016/j.bmcl.2008.05.015. Epub 2008 May 6. PMID: 18502126; PMCID: PMC2526248.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18502126/,,,,,,24821056,No,No,,,,
DBoRL678,"[(4R,5S)-4-Benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl 2-phenylacetate","(4-benzyl-2-oxo-1,3-oxazolidin-5-yl)methyl 2-phenylacetate",O=C(Cc1ccccc1)OCC1OC(=O)NC1Cc1ccccc1,"InChI=1/C19H19NO4/c21-18(12-15-9-5-2-6-10-15)23-13-17-16(20-19(22)24-17)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,20,22)",BRSHZFHRHVMZRB-UHFFFAOYNA-N,C19H19NO4,Not Found,325.364,3.359185611,1,2,7,3,T-box riboswitch antiterminator model RNA AM1A,"The compound/ligand is a 4,5-disubstituted oxazolidinone which is a high affinity RNA molecular effector that modulate the transcription antitermination function of the T box riboswitch.",18502126,,,,,,"Anupam R, Nayek A, Green NJ, Grundy FJ, Henkin TM, Means JA, Bergmeier SC, Hines JV. 4,5-Disubstituted oxazolidinones: High affinity molecular effectors of RNA function. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3541-4. doi: 10.1016/j.bmcl.2008.05.015. Epub 2008 May 6. PMID: 18502126; PMCID: PMC2526248.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18502126/,,,,,,Not Found,No,No,,,,
DBoRL679,"[(4R,5S)-4-[(N-Methylanilino)methyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-phenylacetate","(4-{[methyl(phenyl)amino]methyl}-2-oxo-1,3-oxazolidin-5-yl)methyl 2-phenylacetate",CN(CC1NC(=O)OC1COC(=O)Cc1ccccc1)c1ccccc1,"InChI=1/C20H22N2O4/c1-22(16-10-6-3-7-11-16)13-17-18(26-20(24)21-17)14-25-19(23)12-15-8-4-2-5-9-15/h2-11,17-18H,12-14H2,1H3,(H,21,24)",XJPOGWCLZJYSGE-UHFFFAOYNA-N,C20H22N2O4,Not Found,354.406,3.25581602,1,3,8,3,T-box riboswitch antiterminator model RNA AM1A,"The compound/ligand is a 4,5-disubstituted oxazolidinone which is a high affinity RNA molecular effector that modulate the transcription antitermination function of the T box riboswitch.",18502126,,,,,,"Anupam R, Nayek A, Green NJ, Grundy FJ, Henkin TM, Means JA, Bergmeier SC, Hines JV. 4,5-Disubstituted oxazolidinones: High affinity molecular effectors of RNA function. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3541-4. doi: 10.1016/j.bmcl.2008.05.015. Epub 2008 May 6. PMID: 18502126; PMCID: PMC2526248.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18502126/,,,,,,Not Found,No,No,,,,
DBoRL680,"[(4R,5S)-4-[(N-Methylanilino)methyl]-2-oxo-1,3-oxazolidin-5-yl]methyl octanoate","(4-{[methyl(phenyl)amino]methyl}-2-oxo-1,3-oxazolidin-5-yl)methyl octanoate",CCCCCCCC(=O)OCC1OC(=O)NC1CN(C)c1ccccc1,"InChI=1/C20H30N2O4/c1-3-4-5-6-10-13-19(23)25-15-18-17(21-20(24)26-18)14-22(2)16-11-8-7-9-12-16/h7-9,11-12,17-18H,3-6,10,13-15H2,1-2H3,(H,21,24)",FUIRLDAWKABSCX-UHFFFAOYNA-N,C20H30N2O4,Not Found,362.47,4.344855372,1,3,12,2,T-box riboswitch antiterminator model RNA AM1A,"The compound/ligand is a 4,5-disubstituted oxazolidinone which is a high affinity RNA molecular effector that modulate the transcription antitermination function of the T box riboswitch.",18502126,,,,,,"Anupam R, Nayek A, Green NJ, Grundy FJ, Henkin TM, Means JA, Bergmeier SC, Hines JV. 4,5-Disubstituted oxazolidinones: High affinity molecular effectors of RNA function. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3541-4. doi: 10.1016/j.bmcl.2008.05.015. Epub 2008 May 6. PMID: 18502126; PMCID: PMC2526248.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18502126/,,,,,,Not Found,No,No,,,,
DBoRL681,"[(4R,5S)-4-[[Methyl(2-phenylethyl)amino]methyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-phenylacetate","(4-{[methyl(2-phenylethyl)amino]methyl}-2-oxo-1,3-oxazolidin-5-yl)methyl 2-phenylacetate",CN(CCc1ccccc1)CC1NC(=O)OC1COC(=O)Cc1ccccc1,"InChI=1/C22H26N2O4/c1-24(13-12-17-8-4-2-5-9-17)15-19-20(28-22(26)23-19)16-27-21(25)14-18-10-6-3-7-11-18/h2-11,19-20H,12-16H2,1H3,(H,23,26)",HKIHRCWOVYXQSK-UHFFFAOYNA-N,C22H26N2O4,Not Found,382.46,3.377830133,1,3,10,3,T-box riboswitch antiterminator model RNA AM1A,"The compound/ligand is a 4,5-disubstituted oxazolidinone which is a high affinity RNA molecular effector that modulate the transcription antitermination function of the T box riboswitch.",18502126,,,,,,"Anupam R, Nayek A, Green NJ, Grundy FJ, Henkin TM, Means JA, Bergmeier SC, Hines JV. 4,5-Disubstituted oxazolidinones: High affinity molecular effectors of RNA function. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3541-4. doi: 10.1016/j.bmcl.2008.05.015. Epub 2008 May 6. PMID: 18502126; PMCID: PMC2526248.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18502126/,,,,,,Not Found,No,No,,,,
DBoRL682,Compound 34,"1-[(2-oxo-5-{[(2-phenylacetyl)oxy]methyl}-1,3-oxazolidin-4-yl)methyl]morpholin-1-ium",O=C(Cc1ccccc1)OCC1OC(=O)NC1C[O+]1CCNCC1,"InChI=1/C17H22N2O5/c20-16(10-13-4-2-1-3-5-13)22-11-15-14(19-17(21)23-15)12-24-8-6-18-7-9-24/h1-5,14-15,18H,6-12H2/p+1",GZBXLWDXKMXLSG-UHFFFAOYNA-O,C17H23N2O5,Not Found,335.379,0.1575,2,4,7,3,T-box riboswitch antiterminator model RNA AM1A,"The compound/ligand is a 4,5-disubstituted oxazolidinone which is a high affinity RNA molecular effector that modulate the transcription antitermination function of the T box riboswitch.",18502126,,,,,,"Anupam R, Nayek A, Green NJ, Grundy FJ, Henkin TM, Means JA, Bergmeier SC, Hines JV. 4,5-Disubstituted oxazolidinones: High affinity molecular effectors of RNA function. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3541-4. doi: 10.1016/j.bmcl.2008.05.015. Epub 2008 May 6. PMID: 18502126; PMCID: PMC2526248.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18502126/,,,,,,Not Found,No,No,,,,
DBoRL683,Oxythiamine(1+) pyrophosphate,"5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-3-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)methyl]-1,3-thiazol-3-ium",Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(=O)[nH]1,"InChI=1S/C12H17N3O8P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-15(8)6-10-5-13-9(2)14-12(10)16/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,16,17,18,19,20,21)/p+1",FBFAORFKQFQJGN-UHFFFAOYSA-O,C12H18N3O8P2S,Not Found,426.3,-5.029987432,4,7,8,2,thiamine pyrophosphate-specific riboswitch,Oxythiamine(1+) pyrophosphate binds with thiamine pyrophosphate-specific riboswitch & regulates genes that code for protein products involved in the biosynthesis and transport of thiamine.,18533652,,,,,,"Thore S, Frick C, Ban N. Structural basis of thiamine pyrophosphate analogues binding to the eukaryotic riboswitch. J Am Chem Soc. 2008 Jul 2;130(26):8116-7. doi: 10.1021/ja801708e. Epub 2008 Jun 6. PMID: 18533652.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18533652/,,,,,,24832040,No,No,,,,
DBoRL684,Pyrithiamine Pyrophosphate,1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-methylpyridin-1-ium,Cc1ncc(C[n+]2cccc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1,"InChI=1S/C14H20N4O7P2/c1-10-12(5-7-24-27(22,23)25-26(19,20)21)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8H,5,7,9H2,1-2H3,(H4-,15,16,17,19,20,21,22,23)/p+1",ZHKSTKOYQKNDSJ-UHFFFAOYSA-O,C14H21N4O7P2,Not Found,419.29,-6.838272826,4,8,8,2,TPP-specific riboswitch,Pyrithiamine pyrophosphate (PTPP) is a thiamine pyrophosphate analogue that bind to the eukaryotic riboswitch.,18533652,,,,,,"Thore S, Frick C, Ban N. Structural basis of thiamine pyrophosphate analogues binding to the eukaryotic riboswitch. J Am Chem Soc. 2008 Jul 2;130(26):8116-7. doi: 10.1021/ja801708e. Epub 2008 Jun 6. PMID: 18533652.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18533652/,,,,,,5327150,Yes,No,Experimental,DB04768,https://go.drugbank.com/drugs/DB04768,
DBoRL685,Kanamycin A derivative (5-FITC labeled),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCc1cn(CC2OC(OC3C(N)CC(N)C(OC4OC(CN)C(O)C(O)C4O)C3O)C(O)C(N)C2O)nn1,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA internal loops,Kanamycin A derivative (5-FITC labeled) preferably binds to RNA internal loops that has potential pyrimidine-pyrimidine pairs. Please see the reference for details mode of action.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL686,Neamine derivative (5-FITC labeled),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCc1cn(CCOC2C(O)C(N)CC(N)C2OC2OC(CN)C(O)C(O)C2N)nn1,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA internal loops,"Neamine binds to a variety of RNA internal loops, including internal loops with potential GA pairs.",18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL687,Tobramycin derivative (5-FITC labeled) ( 8),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA internal loops Kan A IL2,The compound binds to loops with potential GG pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL688,Tobramycin derivative (5-FITC labeled) ( 8),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA internal loops Kan A IL4,The compound binds to loops with potential GG pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL689,Tobramycin derivative (5-FITC labeled) ( 8),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA internal loops Kan A IL6,The compound binds to loops with potential GG pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL690,Tobramycin derivative (5-FITC labeled) ( 8),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA internal loops Kan A IL8,The compound binds to loops with potential GG pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL691,Tobramycin derivative (5-FITC labeled) ( 8),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA internal loops Tob IL1,The compound binds to loops with potential GG pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL692,Tobramycin derivative (5-FITC labeled) ( 8),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA internal loops Tob IL2,The compound binds to loops with potential GG pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL693,Tobramycin derivative (5-FITC labeled) ( 8),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA internal loops Tob IL3,The compound binds to loops with potential GG pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL694,Tobramycin derivative (5-FITC labeled) ( 8),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA internal loops Tob IL4,The compound binds to loops with potential GG pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL695,Tobramycin derivative (5-FITC labeled) ( 8),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA internal loops Tob IL5,The compound binds to loops with potential GG pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL696,Tobramycin derivative (5-FITC labeled) ( 8),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA internal loops Tob IL6,The compound binds to loops with potential GG pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL697,Tobramycin derivative (5-FITC labeled) ( 8),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA internal loops Tob IL7,The compound binds to loops with potential GG pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL698,Tobramycin derivative (5-FITC labeled) ( 8),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA internal loops Tob IL8,The compound binds to loops with potential GG pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL699,Tobramycin derivative (5-FITC labeled) ( 8),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA internal loops Nea IL2,The compound binds to loops with potential GG pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL700,Tobramycin derivative (5-FITC labeled) ( 8),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA internal loops Nea IL3,The compound binds to loops with potential GG pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL701,Tobramycin derivative (5-FITC labeled) ( 8),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA internal loops Nea IL6,The compound binds to loops with potential GG pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL702,Tobramycin derivative (5-FITC labeled) ( 8),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA internal loops Nea IL10,The compound binds to loops with potential GG pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL703,Tobramycin derivative (5-FITC labeled) ( 8),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA internal loops Neo IL6,The compound binds to loops with potential GG pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL704,Tobramycin derivative (5-FITC labeled) ( 8),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA internal loops Neo IL9,The compound binds to loops with potential GG pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL705,Tobramycin derivative (5-FITC labeled) ( 8),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA internal loops Neo IL13,The compound binds to loops with potential GG pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL706,Tobramycin derivative (5-FITC labeled) ( 8),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA internal loops Neo IL15,The compound binds to loops with potential GG pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL707,Neamine derivative  (5-FITC labeled) (9),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA internal loops Kan A IL2,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL708,Neamine derivative  (5-FITC labeled) (9),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA internal loops Kan A IL4,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL709,Neamine derivative  (5-FITC labeled) (9),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA internal loops Kan A IL6,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL710,Neamine derivative  (5-FITC labeled) (9),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA internal loops Kan A IL8,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL711,Neomycin B derivative  (5-FITC labeled) (10),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA internal loops Kan A IL2,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL712,Neomycin B derivative  (5-FITC labeled) (10),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA internal loops Kan A IL4,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL713,Neomycin B derivative  (5-FITC labeled) (10),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA internal loops Kan A IL6,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL714,Neomycin B derivative  (5-FITC labeled) (10),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA internal loops Kan A IL8,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL715,Neamine derivative  (5-FITC labeled) (9),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA internal loops Tob IL1,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL716,Neamine derivative  (5-FITC labeled) (9),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA internal loops Tob IL2,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL717,Neamine derivative  (5-FITC labeled) (9),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA internal loops Tob IL7,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL718,Neamine derivative  (5-FITC labeled) (9),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA internal loops Tob IL8,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL719,Neomycin B derivative  (5-FITC labeled) (10),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA internal loops Tob IL1,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL720,Neomycin B derivative  (5-FITC labeled) (10),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA internal loops Tob IL2,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL721,Neomycin B derivative  (5-FITC labeled) (10),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA internal loops Tob IL7,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL722,Neomycin B derivative  (5-FITC labeled) (10),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA internal loops Tob IL8,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL723,Neamine derivative  (5-FITC labeled) (9),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA internal loops Nea IL1,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL724,Neamine derivative  (5-FITC labeled) (9),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA internal loops Nea IL2,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL725,Neamine derivative  (5-FITC labeled) (9),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA internal loops Nea IL3,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL726,Neamine derivative  (5-FITC labeled) (9),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA internal loops Nea IL4,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL727,Neamine derivative  (5-FITC labeled) (9),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA internal loops Nea IL5,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL728,Neamine derivative  (5-FITC labeled) (9),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA internal loops Nea IL6,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL729,Neamine derivative  (5-FITC labeled) (9),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA internal loops Nea IL7,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL730,Neamine derivative  (5-FITC labeled) (9),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA internal loops Nea IL8,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL731,Neamine derivative  (5-FITC labeled) (9),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA internal loops Nea IL9,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL732,Neamine derivative  (5-FITC labeled) (9),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA internal loops Nea IL10,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL733,Neamine derivative  (5-FITC labeled) (9),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA internal loops Nea IL11,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL734,Neamine derivative  (5-FITC labeled) (9),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA internal loops Nea IL12,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL735,Neomycin B derivative  (5-FITC labeled) (10),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA internal loops Nea IL2,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL736,Neomycin B derivative  (5-FITC labeled) (10),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA internal loops Nea IL3,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL737,Neomycin B derivative  (5-FITC labeled) (10),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA internal loops Nea IL6,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL738,Neomycin B derivative  (5-FITC labeled) (10),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA internal loops Nea IL10,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL739,Neomycin B derivative  (5-FITC labeled) (10),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA internal loops Neo IL1,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL740,Neomycin B derivative  (5-FITC labeled) (10),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA internal loops Neo IL2,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL741,Neomycin B derivative  (5-FITC labeled) (10),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA internal loops Neo IL3,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL742,Neomycin B derivative  (5-FITC labeled) (10),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA internal loops Neo IL4,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL743,Neomycin B derivative  (5-FITC labeled) (10),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA internal loops Neo IL5,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL744,Neomycin B derivative  (5-FITC labeled) (10),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA internal loops Neo IL6,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL745,Neomycin B derivative  (5-FITC labeled) (10),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA internal loops Neo IL7,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL746,Neomycin B derivative  (5-FITC labeled) (10),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA internal loops Neo IL8,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL747,Neomycin B derivative  (5-FITC labeled) (10),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA internal loops Neo IL9,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL748,Neomycin B derivative  (5-FITC labeled) (10),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA internal loops Neo IL10,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL749,Neomycin B derivative  (5-FITC labeled) (10),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA internal loops Neo IL11,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL750,Neomycin B derivative  (5-FITC labeled) (10),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA internal loops Neo IL12,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL751,Neomycin B derivative  (5-FITC labeled) (10),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA internal loops Neo IL13,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL752,Neomycin B derivative  (5-FITC labeled) (10),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA internal loops Neo IL14,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL753,Neomycin B derivative  (5-FITC labeled) (10),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA internal loops Neo IL15,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL754,Neomycin B derivative  (5-FITC labeled) (10),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA internal loops Neo IL16,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL755,Neamine derivative  (5-FITC labeled) (9),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA internal loops Neo IL6,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL756,Neamine derivative  (5-FITC labeled) (9),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA internal loops Neo IL9,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL757,Neamine derivative  (5-FITC labeled) (9),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA internal loops Neo IL13,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL758,Neamine derivative  (5-FITC labeled) (9),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA internal loops Neo IL15,The compound binds to the RNA loops which has GA pairs.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL759,Kanamycin A derivative (5-FITC labeled) (7),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA internal loops Kan A IL1,The compound binds with various RNA loops which are pyrimidine rich.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL760,Kanamycin A derivative (5-FITC labeled) (7),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA internal loops Kan A IL2,The compound binds with various RNA loops which are pyrimidine rich.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL761,Kanamycin A derivative (5-FITC labeled) (7),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA internal loops Kan A IL3,The compound binds with various RNA loops which are pyrimidine rich.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL762,Kanamycin A derivative (5-FITC labeled) (7),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA internal loops Kan A IL4,The compound binds with various RNA loops which are pyrimidine rich.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL763,Kanamycin A derivative (5-FITC labeled) (7),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA internal loops Kan A IL5,The compound binds with various RNA loops which are pyrimidine rich.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL764,Kanamycin A derivative (5-FITC labeled) (7),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA internal loops Kan A IL6,The compound binds with various RNA loops which are pyrimidine rich.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL765,Kanamycin A derivative (5-FITC labeled) (7),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA internal loops Kan A IL7,The compound binds with various RNA loops which are pyrimidine rich.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL766,Kanamycin A derivative (5-FITC labeled) (7),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA internal loops Kan A IL8,The compound binds with various RNA loops which are pyrimidine rich.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL767,Kanamycin A derivative (5-FITC labeled) (7),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA internal loops Tob IL1,The compound binds with various RNA loops which are pyrimidine rich.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL768,Kanamycin A derivative (5-FITC labeled) (7),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA internal loops Tob IL2,The compound binds with various RNA loops which are pyrimidine rich.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL769,Kanamycin A derivative (5-FITC labeled) (7),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA internal loops Tob IL7,The compound binds with various RNA loops which are pyrimidine rich.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL770,Kanamycin A derivative (5-FITC labeled) (7),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA internal loops Tob IL8,The compound binds with various RNA loops which are pyrimidine rich.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL771,Kanamycin A derivative (5-FITC labeled) (7),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA internal loops Nea IL2,The compound binds with various RNA loops which are pyrimidine rich.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL772,Kanamycin A derivative (5-FITC labeled) (7),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA internal loops Nea IL3,The compound binds with various RNA loops which are pyrimidine rich.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL773,Kanamycin A derivative (5-FITC labeled) (7),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA internal loops Nea IL6,The compound binds with various RNA loops which are pyrimidine rich.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL774,Kanamycin A derivative (5-FITC labeled) (7),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA internal loops Nea IL10,The compound binds with various RNA loops which are pyrimidine rich.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL775,Kanamycin A derivative (5-FITC labeled) (7),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA internal loops Neo IL6,The compound binds with various RNA loops which are pyrimidine rich.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL776,Kanamycin A derivative (5-FITC labeled) (7),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA internal loops Neo IL9,The compound binds with various RNA loops which are pyrimidine rich.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL777,Kanamycin A derivative (5-FITC labeled) (7),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA internal loops Neo IL13,The compound binds with various RNA loops which are pyrimidine rich.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL778,Kanamycin A derivative (5-FITC labeled) (7),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA internal loops Neo IL15,The compound binds with various RNA loops which are pyrimidine rich.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL779,Tobramycin derivative (5-FITC labeled),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",NCc1cn(CC2OC(OC3C(N)CC(N)C(OC4OC(CN)C(O)CC4N)C3O)C(O)C(N)C2O)nn1,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA internal loops,Tobramycin derivative (5-FITC labeled) binds to RNA internal loops which has potential GG pairs. Please see the reference for details mode of action.,18652457,,,,,,"Disney MD, Labuda LP, Paul DJ, Poplawski SG, Pushechnikov A, Tran T, Velagapudi SP, Wu M, Childs-Disney JL. Two-dimensional combinatorial screening identifies specific aminoglycoside-RNA internal loop partners. J Am Chem Soc. 2008 Aug 20;130(33):11185-94. doi: 10.1021/ja803234t. Epub 2008 Jul 25. PMID: 18652457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18652457/,,,,,,Not Found,No,No,,,,
DBoRL780,Lysine,"2,6-diaminohexanoic acid",NCCCCC(N)C(=O)O,"InChI=1/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)",KDXKERNSBIXSRK-UHFFFAOYNA-N,C6H14N2O2,Not Found,146.19,-3.214534721,3,4,5,0,Lysine Riboswitch,"In bacteria, the intracellular concentration of several amino acids is controlled by riboswitches. One of the important regulatory circuits involves lysine-specific riboswitches, which direct the biosynthesis and transport of lysine and precursors common for lysine and other amino acids. The riboswitch features an unusual and intricate architecture, involving three-helical and two-helical bundles connected by a compact five-helical junction and stabilized by various long-range tertiary interactions. Lysine interacts with the junctional core of the riboswitch and is specifically recognized through shape complementarity within the elongated binding pocket and through several direct and K+-mediated hydrogen bonds to its charged ends.",18784651,,,,,,"Serganov A, Huang L, Patel DJ. Structural insights into amino acid binding and gene control by a lysine riboswitch. Nature. 2008 Oct 30;455(7217):1263-7. doi: 10.1038/nature07326. Epub 2008 Sep 10. PMID: 18784651; PMCID: PMC3726722.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18784651/,,,,,,866,Yes,Yes,Nutraceutical,DB00123,https://go.drugbank.com/drugs/DB00123,
DBoRL781,L-4-Oxalysine,2-amino-3-(2-aminoethoxy)propanoic acid,NCCOCC(N)C(=O)O,"InChI=1/C5H12N2O3/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)",SLTGLTLBIVDQKE-UHFFFAOYNA-N,C5H12N2O3,Not Found,148.162,-4.284308165,3,5,5,0,Lysine Riboswitch,"L-4-oxalysine5 contain sulphur and oxygen at position C4. Because the pocket has a small cavity between the C4 and N7 positions of bound lysine both C4-substited analogues can be placed within the pocket in a manner similar to bound lysine, suggesting the potential for incorporation of even larger C4- substituents. Despite similar placement within the pocket, primer extension assays suggest that there is weaker binding of AEC and L-4-oxalysine to the riboswitch, possibly due to an increased electronegativity of substituents at the C4 position.",18784651,,,,,,"Serganov A, Huang L, Patel DJ. Structural insights into amino acid binding and gene control by a lysine riboswitch. Nature. 2008 Oct 30;455(7217):1263-7. doi: 10.1038/nature07326. Epub 2008 Sep 10. PMID: 18784651; PMCID: PMC3726722.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18784651/,,,,,,27136,No,No,,,,
DBoRL782,L-Homoarginine,2-amino-6-[(diaminomethylidene)amino]hexanoic acid,NC(N)=NCCCCC(N)C(=O)O,"InChI=1/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)",QUOGESRFPZDMMT-UHFFFAOYNA-N,C7H16N4O2,Not Found,188.231,-2.813754308,4,6,6,0,Lysine Riboswitch,"L-homoarginine, a lysine analogue, where the ?-ammonium group of lysine is replaced by a guanidinium group and its methyl-substituted variant, respectively. In these structures the side chains of lysine analogues are slightly shifted to provide better stacking interactions with the G80 base. The nitrogen atoms of the guanidinium-like extensions replace water molecules W1 and W2, found in the lysine complex. The G163 sugar is slightly rotated, so that the hydrogen bond pattern of W1 is retained by both ligands, whereas L-homoarginine forms extra hydrogen bonds with G163. Although most RNA-ligand contacts are preserved, both analogues demonstrate weaker interactions than lysine in primer extension. The lysine-binding pocket has two openings, which could be exploited for the design of next generation lysine-like analogues. One of the openings could accommodate modifications or extensions of the carboxylate group, possibly by substituting the K+ cation. The other smaller opening could allow extensions from N9 of L-homoarginine and iminoethyl-Llysine. The analogue-bound structures indicate that the lysine binding pocket is rather rigid, and only accommodates compounds which can sterically fit the pocket. Therefore, lysines in a polypeptide chain and branched amino acids are not recognized by the riboswitch.",18784651,,,,,,"Serganov A, Huang L, Patel DJ. Structural insights into amino acid binding and gene control by a lysine riboswitch. Nature. 2008 Oct 30;455(7217):1263-7. doi: 10.1038/nature07326. Epub 2008 Sep 10. PMID: 18784651; PMCID: PMC3726722.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18784651/,,,,,,3626,No,No,,,,
DBoRL783,N(6)-Acetimidoyl-L-lysine,2-amino-6-[(1-aminoethylidene)amino]hexanoic acid,CC(N)=NCCCCC(N)C(=O)O,"InChI=1/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)",ONYFNWIHJBLQKE-UHFFFAOYNA-N,C8H17N3O2,Not Found,187.243,-2.531695144,3,5,6,0,Thermotoga maritima lysine riboswitch,N(6)-Acetimidoyl-L-lysine is bind with Thermotoga maritima lysine riboswitch & control the regulation of gene expression. ,18784651,,,,,,"Serganov A, Huang L, Patel DJ. Structural insights into amino acid binding and gene control by a lysine riboswitch. Nature. 2008 Oct 30;455(7217):1263-7. doi: 10.1038/nature07326. Epub 2008 Sep 10. PMID: 18784651; PMCID: PMC3726722.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18784651/,,,,,,3863,No,No,,,,
DBoRL784,S-(2-Aminoethyl)-L-cysteine,2-amino-3-[(2-aminoethyl)sulfanyl]propanoic acid,NCCSCC(N)C(=O)O,"InChI=1/C5H12N2O2S/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)",GHSJKUNUIHUPDF-UHFFFAOYNA-N,C5H12N2O2S,Not Found,164.22,-3.805807049,3,4,5,0,THERMOTOGA MARITIMA LYSINE RIBOSWITCH ,S-(2-Aminoethyl)-L-cysteine (an antibacterial compound) bind with Thermotoga maritima lysine riboswitch & control the regulation of gene expression. ,18784651,,,,,,"Serganov A, Huang L, Patel DJ. Structural insights into amino acid binding and gene control by a lysine riboswitch. Nature. 2008 Oct 30;455(7217):1263-7. doi: 10.1038/nature07326. Epub 2008 Sep 10. PMID: 18784651; PMCID: PMC3726722.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18784651/,,,,,,20049,No,No,,,,
DBoRL785,S-Adenosylmethionine,"2-amino-4-({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}(methyl)sulfaniumyl)butanoate",C[S+](CCC(N)C(=O)[O-])CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,"InChI=1/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)",MEFKEPWMEQBLKI-UHFFFAOYNA-N,C15H22N6O5S,Not Found,398.44,-5.322770594,4,10,7,3,SMK box (SAM-III) Riboswitch,"S-adenosyl-L-methionine (SAM)-responsive riboswitches is responsible for regulate bacterial gene expression at the levels of transcription attenuation or translation inhibition. S-Adenosylmethionine (SAM) bind with SAM-III/SMK riboswitch, which results the SAM-dependent translation inhibition. ",18806797,,,,,,"Lu C, Smith AM, Fuchs RT, Ding F, Rajashankar K, Henkin TM, Ke A. Crystal structures of the SAM-III/S(MK) riboswitch reveal the SAM-dependent translation inhibition mechanism. Nat Struct Mol Biol. 2008 Oct;15(10):1076-83. doi: 10.1038/nsmb.1494. Epub 2008 Sep 21. PMID: 18806797; PMCID: PMC3467307.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18806797/,,,,,,5136,Yes,Yes,Investigational Nutraceutical,DB00118,https://go.drugbank.com/drugs/DB00118,
DBoRL786,S-Adenosyl-L-homocysteine,"2-amino-4-({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}sulfanyl)butanoic acid",Nc1ncnc2c1ncn2C1OC(CSCCC(N)C(=O)O)C(O)C1O,"InChI=1/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)",ZJUKTBDSGOFHSH-UHFFFAOYNA-N,C14H20N6O5S,Not Found,384.41,-4.027550068,5,10,7,3,SMK box (SAM-III) Riboswitch,SMK box (SAM-III) translational riboswitch has the ability to interact with cognate ligand S-adenosyl-L-homocysteine (SAH) in which SAH adopt an alternative conformation and fails to make several key interactions. Please refer the paper for details mode of action.,18806797,,,,,,"Lu C, Smith AM, Fuchs RT, Ding F, Rajashankar K, Henkin TM, Ke A. Crystal structures of the SAM-III/S(MK) riboswitch reveal the SAM-dependent translation inhibition mechanism. Nat Struct Mol Biol. 2008 Oct;15(10):1076-83. doi: 10.1038/nsmb.1494. Epub 2008 Sep 21. PMID: 18806797; PMCID: PMC3467307.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18806797/,,,,,,193,Yes,No,Experimental,DB01752,https://go.drugbank.com/drugs/DB01752,
DBoRL787,"[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-methyl-selanium","(3-amino-3-carboxypropyl)({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl})methylselanium",C[Se+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,"InChI=1/C15H22N6O5Se/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1",GGJFWMOVUFBSIN-UHFFFAOYNA-O,C15H23N6O5Se,Not Found,446.356,-5.068368134,5,11,7,3,SMK box (SAM-III) Riboswitch,"The compound bind with SAM-III/SMK riboswitch, which results the translation inhibition. ",18806797,,,,,,"Lu C, Smith AM, Fuchs RT, Ding F, Rajashankar K, Henkin TM, Ke A. Crystal structures of the SAM-III/S(MK) riboswitch reveal the SAM-dependent translation inhibition mechanism. Nat Struct Mol Biol. 2008 Oct;15(10):1076-83. doi: 10.1038/nsmb.1494. Epub 2008 Sep 21. PMID: 18806797; PMCID: PMC3467307.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18806797/,,,,,,168991,No,No,,,,
DBoRL788,Phen-DC3,"1-methyl-3-{9-[(1-methylquinolin-1-ium-3-yl)carbamoyl]-1,10-phenanthroline-2-amido}quinolin-1-ium",C[N+]1=C2C=CC=CC2=CC(NC(=O)C2=CC=C3C=CC4=CC=C(N=C4C3=N2)C(=O)NC2=C[N+](C)=C3C=CC=CC3=C2)=C1,"InChI=1S/C34H24N6O2/c1-39-19-25(17-23-7-3-5-9-29(23)39)35-33(41)27-15-13-21-11-12-22-14-16-28(38-32(22)31(21)37-27)34(42)36-26-18-24-8-4-6-10-30(24)40(2)20-26/h3-20H,1-2H3/p+2",CTOLNXAGCUTHBW-UHFFFAOYSA-P,C34H26N6O2,942936-75-6,550.621,-3.040300424,2,4,4,7,shRNA 5 (stem loop): 5'-[r( GGGUGGGUUCCUGGAACUAUUGUUUUUUCAGGGUGGGUGUAAAAGCAAUUGUUCCAGGAACCAG)]-3',Phen-DC3 is an RNA quadruplex-binding compound that binds with the Guanosine-Rich target sequence of shRNAs and inhibits the dicing process.,18924215,,,,,,"Henn A, Joachimi A, Gon?alves DP, Monchaud D, Teulade-Fichou MP, Sanders JK, Hartig JS. Inhibition of dicing of guanosine-rich shRNAs by quadruplex-binding compounds. Chembiochem. 2008 Nov 3;9(16):2722-9. doi: 10.1002/cbic.200800271. PMID: 18924215.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18924215/,,,,,,44449504,No,No,,,,
DBoRL789,Phen-DC6,"1-methyl-6-{9-[(1-methylquinolin-1-ium-6-yl)carbamoyl]-1,10-phenanthroline-2-amido}quinolin-1-ium",C[N+]1=CC=CC2=CC(NC(=O)C3=CC=C4C=CC5=CC=C(N=C5C4=N3)C(=O)NC3=CC=C4C(C=CC=[N+]4C)=C3)=CC=C12,"InChI=1S/C34H24N6O2/c1-39-17-3-5-23-19-25(11-15-29(23)39)35-33(41)27-13-9-21-7-8-22-10-14-28(38-32(22)31(21)37-27)34(42)36-26-12-16-30-24(20-26)6-4-18-40(30)2/h3-20H,1-2H3/p+2",CPGLBMNDOCLYCG-UHFFFAOYSA-P,C34H26N6O2,Not Found,550.621,-3.040300424,2,4,4,7,shRNA 5 (stem loop): 5'-[r( GGGUGGGUUCCUGGAACUAUUGUUUUUUCAGGGUGGGUGUAAAAGCAAUUGUUCCAGGAACCAG)]-3',Phen-DC6 is an RNA quadruplex-binding compound that binds with the Guanosine-Rich target sequence of shRNAs and inhibits the dicing process.,18924215,,,,,,"Henn A, Joachimi A, Gon?alves DP, Monchaud D, Teulade-Fichou MP, Sanders JK, Hartig JS. Inhibition of dicing of guanosine-rich shRNAs by quadruplex-binding compounds. Chembiochem. 2008 Nov 3;9(16):2722-9. doi: 10.1002/cbic.200800271. PMID: 18924215.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18924215/,,,,,,124201739,No,No,,,,
DBoRL790,Phen-DC6,"1-methyl-6-{9-[(1-methylquinolin-1-ium-6-yl)carbamoyl]-1,10-phenanthroline-2-amido}quinolin-1-ium",C[N+]1=CC=CC2=CC(NC(=O)C3=CC=C4C=CC5=CC=C(N=C5C4=N3)C(=O)NC3=CC=C4C(C=CC=[N+]4C)=C3)=CC=C12,"InChI=1S/C34H24N6O2/c1-39-17-3-5-23-19-25(11-15-29(23)39)35-33(41)27-13-9-21-7-8-22-10-14-28(38-32(22)31(21)37-27)34(42)36-26-12-16-30-24(20-26)6-4-18-40(30)2/h3-20H,1-2H3/p+2",CPGLBMNDOCLYCG-UHFFFAOYSA-P,C34H26N6O2,Not Found,550.621,-3.040300424,2,4,4,7,shRNA 2 (stem loop): 5'-[r( GGGUUCCUGGAACUAUUGUUUUUUCAUUUUUGUAAAAGCAAUUGUUCCAGGAACCAG)]-3',Phen-DC6 is an RNA quadruplex-binding compound that binds with the Guanosine-Rich target sequence of shRNAs and inhibits the dicing process.,18924215,,,,,,"Henn A, Joachimi A, Gon?alves DP, Monchaud D, Teulade-Fichou MP, Sanders JK, Hartig JS. Inhibition of dicing of guanosine-rich shRNAs by quadruplex-binding compounds. Chembiochem. 2008 Nov 3;9(16):2722-9. doi: 10.1002/cbic.200800271. PMID: 18924215.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18924215/,,,,,,124201739,No,No,,,,
DBoRL791,SCHEMBL2616612,"6,15,24,33-tetramethyl-2,6,11,15,20,24,29,33,37,38,39,40-dodecaazanonacyclo[28.6.1.1?,??.1??,??.1??,??.0?,?.0??,??.0??,??.0??,??]tetraconta-1(36),2,4(9),5,7,10(40),11,13(18),14,16,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6,15,24,33-tetraium",C[n+]1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1cc[n+](C)cc41)-c1cc[n+](C)cc1-3)c1cc[n+](C)cc21,"InChI=1S/C32H25N12/c1-41-9-5-17-21(13-41)29-33-25(17)38-30-23-15-43(3)11-7-19(23)27(35-30)40-32-24-16-44(4)12-8-20(24)28(36-32)39-31-22-14-42(2)10-6-18(22)26(34-31)37-29/h5-16H,1-4H3,(H,33,34,35,36,37,38,39,40)/q+3/p+1",OUGPSUQVOLNRJO-UHFFFAOYSA-O,C32H26N12,Not Found,578.642,-14.15500017,2,6,0,9,shRNA 5 (stem loop),"SCHEMBL2616612, a quadruplex-binding compound, binds with guanosine-rich shRNAs 5? (stem loop) and inhibits dicing process.",18924215,,,,,,"Henn A, Joachimi A, Gon?alves DP, Monchaud D, Teulade-Fichou MP, Sanders JK, Hartig JS. Inhibition of dicing of guanosine-rich shRNAs by quadruplex-binding compounds. Chembiochem. 2008 Nov 3;9(16):2722-9. doi: 10.1002/cbic.200800271. PMID: 18924215.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18924215/,,,,,,Not Found,No,No,,,,
DBoRL792,"Zinc;6,15,24,33-tetramethyl-2,11,20,29,37,39-hexaza-6,15,24,33-tetrazonia-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene","zinc(2+) 6,15,24,33-tetramethyl-2,6,11,15,20,24,29,33,37,38,39,40-dodecaazanonacyclo[28.6.1.1?,??.1??,??.1??,??.0?,?.0??,??.0??,??.0??,??]tetraconta-1(36),2,4(9),5,7,10(40),11,13(18),14,16,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6,15,24,33-tetraium-37,39-diide",C[n+]1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1cc[n+](C)cc41)-c1cc[n+](C)cc1-3)c1cc[n+](C)cc21.[Zn+2],"InChI=1S/C32H24N12.Zn/c1-41-9-5-17-21(13-41)29-33-25(17)38-30-23-15-43(3)11-7-19(23)27(35-30)40-32-24-16-44(4)12-8-20(24)28(36-32)39-31-22-14-42(2)10-6-18(22)26(34-31)37-29;/h5-16H,1-4H3;/q2*+2",FUBBDXZLFOMVBW-UHFFFAOYSA-N,C32H24N12Zn,Not Found,642.01,-14.15500017,0,8,0,9,shRNA 5 (stem loop),The compound binds with guanosine-rich shRNAs 5? (stem loop) and inhibits dicing process.,18924215,,,,,,"Henn A, Joachimi A, Gon?alves DP, Monchaud D, Teulade-Fichou MP, Sanders JK, Hartig JS. Inhibition of dicing of guanosine-rich shRNAs by quadruplex-binding compounds. Chembiochem. 2008 Nov 3;9(16):2722-9. doi: 10.1002/cbic.200800271. PMID: 18924215.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18924215/,,,,,,Not Found,No,No,,,,
DBoRL793,TMPy PzZn,,[CH3:43][N+:7]1=[CH:6][C:1]2=[C:3]([CH:8]=[CH:9]1)[C:5]1=[N:10][C:33]3=[N:31]4[C:32](=[N:30][C:25]5=[C:24]6[CH:28]=[N+:29]([CH3:41])[CH:27]=[CH:26][C:22]6=[C:21]6[N:20]=[C:14]7[C:12]8=[C:11]([CH:16]=[CH:17][N+:19]([CH3:44])=[CH:18]8)[C:13]8=[N:15]7[Zn++:45]4([N:4]1[C:2]2=[N:40]8)[N:23]56)[C:34]1=[C:35]3[CH:38]=[N+:39]([CH3:42])[CH:37]=[CH:36]1,"InChI=1S/C32H24N12.Zn/c1-41-9-5-17-21(13-41)29-33-25(17)38-30-23-15-43(3)11-7-19(23)27(35-30)40-32-24-16-44(4)12-8-20(24)28(36-32)39-31-22-14-42(2)10-6-18(22)26(34-31)37-29;/h5-16H,1-4H3;/q+2;+4",OLPTULQCMJGQGI-UHFFFAOYSA-N,C32H24N12Zn,Not Found,642,,0,0,0,12,shRNA 5 (stem loop): 5'-[r( GGGUGGGUUCCUGGAACUAUUGUUUUUUCAGGGUGGGUGUAAAAGCAAUUGUUCCAGGAACCAG)]-3',TMPy PzZn is an RNA quadruplex-binding compound that binds with the Guanosine-Rich target sequence of shRNAs and inhibits the dicing process.,18924215,,,,,,"Henn A, Joachimi A, Gon?alves DP, Monchaud D, Teulade-Fichou MP, Sanders JK, Hartig JS. Inhibition of dicing of guanosine-rich shRNAs by quadruplex-binding compounds. Chembiochem. 2008 Nov 3;9(16):2722-9. doi: 10.1002/cbic.200800271. PMID: 18924215.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18924215/,,,,,,Not Found,No,No,,,,
DBoRL794,TMPy PzZn,,[CH3:43][N+:7]1=[CH:6][C:1]2=[C:3]([CH:8]=[CH:9]1)[C:5]1=[N:10][C:33]3=[N:31]4[C:32](=[N:30][C:25]5=[C:24]6[CH:28]=[N+:29]([CH3:41])[CH:27]=[CH:26][C:22]6=[C:21]6[N:20]=[C:14]7[C:12]8=[C:11]([CH:16]=[CH:17][N+:19]([CH3:44])=[CH:18]8)[C:13]8=[N:15]7[Zn++:45]4([N:4]1[C:2]2=[N:40]8)[N:23]56)[C:34]1=[C:35]3[CH:38]=[N+:39]([CH3:42])[CH:37]=[CH:36]1,"InChI=1S/C32H24N12.Zn/c1-41-9-5-17-21(13-41)29-33-25(17)38-30-23-15-43(3)11-7-19(23)27(35-30)40-32-24-16-44(4)12-8-20(24)28(36-32)39-31-22-14-42(2)10-6-18(22)26(34-31)37-29;/h5-16H,1-4H3;/q+2;+4",OLPTULQCMJGQGI-UHFFFAOYSA-N,C32H24N12Zn,Not Found,642,,0,0,0,12,shRNA 2 (stem loop): 5'-[r( GGGUUCCUGGAACUAUUGUUUUUUCAUUUUUGUAAAAGCAAUUGUUCCAGGAACCAG)]-3',TMPy PzZn is an RNA quadruplex-binding compound that binds with the Guanosine-Rich target sequence of shRNAs and inhibits the dicing process.,18924215,,,,,,"Henn A, Joachimi A, Gon?alves DP, Monchaud D, Teulade-Fichou MP, Sanders JK, Hartig JS. Inhibition of dicing of guanosine-rich shRNAs by quadruplex-binding compounds. Chembiochem. 2008 Nov 3;9(16):2722-9. doi: 10.1002/cbic.200800271. PMID: 18924215.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18924215/,,,,,,Not Found,No,No,,,,
DBoRL795,TMPyPz,"6,15,24,33-tetramethyl-2,6,11,15,20,24,29,33,37,38,39,40-dodecaazanonacyclo[28.6.1.1?,??.1??,??.1??,??.0?,?.0??,??.0??,??.0??,??]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene-6,15,24,33-tetraium",C[N+]1=CC2=C(C=C1)/C1=N/C3=N/C(=N\C4=C5C=[N+](C)C=CC5=C(N4)/N=C4\N=C(\N=C\2/N\1)C1=C4C=[N+](C)C=C1)/C1=C3C=[N+](C)C=C1,"InChI=1S/C32H25N12/c1-41-9-5-17-21(13-41)29-33-25(17)38-30-23-15-43(3)11-7-19(23)27(35-30)40-32-24-16-44(4)12-8-20(24)28(36-32)39-31-22-14-42(2)10-6-18(22)26(34-31)37-29/h5-16H,1-4H3,(H,33,34,35,36,37,38,39,40)/q+3/p+1",OUGPSUQVOLNRJO-UHFFFAOYSA-O,C32H26N12,Not Found,578.642,-14.15500017,2,6,0,9,shRNA 2 (stem loop): 5'-[r( GGGUUCCUGGAACUAUUGUUUUUUCAUUUUUGUAAAAGCAAUUGUUCCAGGAACCAG)]-3',TMPyPz is an RNA quadruplex-binding compound that binds with the Guanosine-Rich target sequence of shRNAs and inhibits the dicing process.,18924215,,,,,,"Henn A, Joachimi A, Gon?alves DP, Monchaud D, Teulade-Fichou MP, Sanders JK, Hartig JS. Inhibition of dicing of guanosine-rich shRNAs by quadruplex-binding compounds. Chembiochem. 2008 Nov 3;9(16):2722-9. doi: 10.1002/cbic.200800271. PMID: 18924215.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18924215/,,,,,,135886408,No,No,,,,
DBoRL796,TMPyPz,"6,15,24,33-tetramethyl-2,6,11,15,20,24,29,33,37,38,39,40-dodecaazanonacyclo[28.6.1.1?,??.1??,??.1??,??.0?,?.0??,??.0??,??.0??,??]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene-6,15,24,33-tetraium",C[N+]1=CC2=C(C=C1)/C1=N/C3=N/C(=N\C4=C5C=[N+](C)C=CC5=C(N4)/N=C4\N=C(\N=C\2/N\1)C1=C4C=[N+](C)C=C1)/C1=C3C=[N+](C)C=C1,"InChI=1S/C32H25N12/c1-41-9-5-17-21(13-41)29-33-25(17)38-30-23-15-43(3)11-7-19(23)27(35-30)40-32-24-16-44(4)12-8-20(24)28(36-32)39-31-22-14-42(2)10-6-18(22)26(34-31)37-29/h5-16H,1-4H3,(H,33,34,35,36,37,38,39,40)/q+3/p+1",OUGPSUQVOLNRJO-UHFFFAOYSA-O,C32H26N12,Not Found,578.642,-14.15500017,2,6,0,9,shRNA 5 (stem loop): 5'-[r( GGGUGGGUUCCUGGAACUAUUGUUUUUUCAGGGUGGGUGUAAAAGCAAUUGUUCCAGGAACCAG)]-3',TMsPyPz is an RNA quadruplex-binding compound that binds with the Guanosine-Rich target sequence of shRNAs and inhibits the dicing process.,18924215,,,,,,"Henn A, Joachimi A, Gon?alves DP, Monchaud D, Teulade-Fichou MP, Sanders JK, Hartig JS. Inhibition of dicing of guanosine-rich shRNAs by quadruplex-binding compounds. Chembiochem. 2008 Nov 3;9(16):2722-9. doi: 10.1002/cbic.200800271. PMID: 18924215.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18924215/,,,,,,135886408,No,No,,,,
DBoRL797,6'acylated derivatives of the aminoglycosides TAMRA-Labeled Kanamycin A,"9-{4-[({5-amino-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-3,4-dihydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)c1ccc2c(-c3ccc(C(=O)NCC4OC(OC5C(N)CC(N)C(O)C5O)C(N)C(O)C4O)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1,"InChI=1/C37H46N6O10/c1-42(2)17-6-9-20-25(12-17)51-26-13-18(43(3)4)7-10-21(26)28(20)19-8-5-16(11-22(19)36(49)50)35(48)41-15-27-31(45)32(46)29(40)37(52-27)53-34-24(39)14-23(38)30(44)33(34)47/h5-13,23-24,27,29-34,37,44-47H,14-15,38-40H2,1-4H3,(H-,41,48,49,50)/p+1",LLDHWNWDKUOXGR-UHFFFAOYNA-O,C37H47N6O10,Not Found,735.814,-5.156968303,9,14,7,6,RNA hairpin (5'-[ACACCUCGGU]-3'),6'acylated derivatives of the aminoglycosides TAMRA-Labeled Kanamycin A has the ability to binds and interacts with RNA hairpin (5'-[ACGAUCACGU]-3'). ,18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL798,6'acylated derivatives of the aminoglycosides TAMRA-Labeled neamine,"9-{2-carboxy-4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]phenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)c1ccc2c(-c3ccc(C(=O)NCC4OC(OC5C(N)CC(N)C(OC6OC(CO)C(O)C(N)C6O)C5O)C(O)C(O)C4O)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1,"InChI=1/C43H56N6O15/c1-48(2)18-6-9-21-26(12-18)60-27-13-19(49(3)4)7-10-22(27)30(21)20-8-5-17(11-23(20)41(58)59)40(57)47-15-28-33(52)35(54)36(55)43(61-28)64-39-25(45)14-24(44)38(37(39)56)63-42-34(53)31(46)32(51)29(16-50)62-42/h5-13,24-25,28-29,31-39,42-43,50-56H,14-16,44-46H2,1-4H3,(H-,47,57,58,59)/p+1",JADXSLIHZVWNHW-UHFFFAOYNA-O,C43H57N6O15,Not Found,897.955,-7.040568421,12,19,10,7,RNA hairpin (5'-[ACGAUCACGU]-3'),6'acylated derivatives of the aminoglycosides TAMRA-Labeled neamine has the ability to binds and interacts with RNA hairpin (5'-[ACGAUCACGU]-3'). ,18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL799,6'acylated derivatives of the aminoglycosides  TAMRA-Labeled Kanamycin A (3),"9-{2-carboxy-4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]phenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C43H56N6O15/c1-48(2)18-6-9-21-26(12-18)60-27-13-19(49(3)4)7-10-22(27)30(21)20-8-5-17(11-23(20)41(58)59)40(57)47-15-28-33(52)35(54)36(55)43(61-28)64-39-25(45)14-24(44)38(37(39)56)63-42-34(53)31(46)32(51)29(16-50)62-42/h5-13,24-25,28-29,31-39,42-43,50-56H,14-16,44-46H2,1-4H3,(H-,47,57,58,59)/p+1",JADXSLIHZVWNHW-UHFFFAOYNA-O,C43H57N6O15,Not Found,897.955,-7.040568421,12,19,10,7,RNA hairpin Kan 6' Ac HP1: 5'-[ACAGUUCGGU]-3',"The compound interacts with the specific sequence of RNA hairpin Kan. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL800,6'acylated derivatives of the aminoglycosides  TAMRA-Labeled Kanamycin A (3),"9-{2-carboxy-4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]phenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C43H56N6O15/c1-48(2)18-6-9-21-26(12-18)60-27-13-19(49(3)4)7-10-22(27)30(21)20-8-5-17(11-23(20)41(58)59)40(57)47-15-28-33(52)35(54)36(55)43(61-28)64-39-25(45)14-24(44)38(37(39)56)63-42-34(53)31(46)32(51)29(16-50)62-42/h5-13,24-25,28-29,31-39,42-43,50-56H,14-16,44-46H2,1-4H3,(H-,47,57,58,59)/p+1",JADXSLIHZVWNHW-UHFFFAOYNA-O,C43H57N6O15,Not Found,897.955,-7.040568421,12,19,10,7,RNA hairpin Kan 6' Ac HP2: 5'-[ACACCUCGGU]-3',"The compound interacts with the specific sequence of RNA hairpin Kan. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL801,6'acylated derivatives of the aminoglycosides  TAMRA-Labeled Kanamycin A (3),"9-{2-carboxy-4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]phenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C43H56N6O15/c1-48(2)18-6-9-21-26(12-18)60-27-13-19(49(3)4)7-10-22(27)30(21)20-8-5-17(11-23(20)41(58)59)40(57)47-15-28-33(52)35(54)36(55)43(61-28)64-39-25(45)14-24(44)38(37(39)56)63-42-34(53)31(46)32(51)29(16-50)62-42/h5-13,24-25,28-29,31-39,42-43,50-56H,14-16,44-46H2,1-4H3,(H-,47,57,58,59)/p+1",JADXSLIHZVWNHW-UHFFFAOYNA-O,C43H57N6O15,Not Found,897.955,-7.040568421,12,19,10,7,RNA hairpin Kan 6' Ac HP3: 5'-[ACAGGCCAGU]-3',"The compound interacts with the specific sequence of RNA hairpin Kan. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL802,6'acylated derivatives of the aminoglycosides  TAMRA-Labeled Kanamycin A (3),"9-{2-carboxy-4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]phenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C43H56N6O15/c1-48(2)18-6-9-21-26(12-18)60-27-13-19(49(3)4)7-10-22(27)30(21)20-8-5-17(11-23(20)41(58)59)40(57)47-15-28-33(52)35(54)36(55)43(61-28)64-39-25(45)14-24(44)38(37(39)56)63-42-34(53)31(46)32(51)29(16-50)62-42/h5-13,24-25,28-29,31-39,42-43,50-56H,14-16,44-46H2,1-4H3,(H-,47,57,58,59)/p+1",JADXSLIHZVWNHW-UHFFFAOYNA-O,C43H57N6O15,Not Found,897.955,-7.040568421,12,19,10,7,RNA hairpin Kan 6' Ac HP4: 5'-[ACGGGUCGGU]-3',"The compound interacts with the specific sequence of RNA hairpin Kan. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL803,6'acylated derivatives of the aminoglycosides  TAMRA-Labeled Kanamycin A (3),"9-{2-carboxy-4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]phenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C43H56N6O15/c1-48(2)18-6-9-21-26(12-18)60-27-13-19(49(3)4)7-10-22(27)30(21)20-8-5-17(11-23(20)41(58)59)40(57)47-15-28-33(52)35(54)36(55)43(61-28)64-39-25(45)14-24(44)38(37(39)56)63-42-34(53)31(46)32(51)29(16-50)62-42/h5-13,24-25,28-29,31-39,42-43,50-56H,14-16,44-46H2,1-4H3,(H-,47,57,58,59)/p+1",JADXSLIHZVWNHW-UHFFFAOYNA-O,C43H57N6O15,Not Found,897.955,-7.040568421,12,19,10,7,RNA hairpin Kan 6' Ac HP5: 5'-[ ACACGCCCGU]-3',"The compound interacts with the specific sequence of RNA hairpin Kan. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL804,6'acylated derivatives of the aminoglycosides  TAMRA-Labeled Kanamycin A (3),"9-{2-carboxy-4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]phenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C43H56N6O15/c1-48(2)18-6-9-21-26(12-18)60-27-13-19(49(3)4)7-10-22(27)30(21)20-8-5-17(11-23(20)41(58)59)40(57)47-15-28-33(52)35(54)36(55)43(61-28)64-39-25(45)14-24(44)38(37(39)56)63-42-34(53)31(46)32(51)29(16-50)62-42/h5-13,24-25,28-29,31-39,42-43,50-56H,14-16,44-46H2,1-4H3,(H-,47,57,58,59)/p+1",JADXSLIHZVWNHW-UHFFFAOYNA-O,C43H57N6O15,Not Found,897.955,-7.040568421,12,19,10,7,RNA hairpin Kan 6' Ac HP6: 5'-[ ACAACACGGU]-3',"The compound interacts with the specific sequence of RNA hairpin Kan. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL805,6'acylated derivatives of the aminoglycosides  TAMRA-Labeled Kanamycin A (3),"9-{2-carboxy-4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]phenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C43H56N6O15/c1-48(2)18-6-9-21-26(12-18)60-27-13-19(49(3)4)7-10-22(27)30(21)20-8-5-17(11-23(20)41(58)59)40(57)47-15-28-33(52)35(54)36(55)43(61-28)64-39-25(45)14-24(44)38(37(39)56)63-42-34(53)31(46)32(51)29(16-50)62-42/h5-13,24-25,28-29,31-39,42-43,50-56H,14-16,44-46H2,1-4H3,(H-,47,57,58,59)/p+1",JADXSLIHZVWNHW-UHFFFAOYNA-O,C43H57N6O15,Not Found,897.955,-7.040568421,12,19,10,7,RNA hairpin Kan 6' Ac HP7: 5'-[ACCGGCACGU]-3',"The compound interacts with the specific sequence of RNA hairpin Kan. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL806,6'acylated derivatives of the aminoglycosides  TAMRA-Labeled Kanamycin A (3),"9-{2-carboxy-4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]phenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C43H56N6O15/c1-48(2)18-6-9-21-26(12-18)60-27-13-19(49(3)4)7-10-22(27)30(21)20-8-5-17(11-23(20)41(58)59)40(57)47-15-28-33(52)35(54)36(55)43(61-28)64-39-25(45)14-24(44)38(37(39)56)63-42-34(53)31(46)32(51)29(16-50)62-42/h5-13,24-25,28-29,31-39,42-43,50-56H,14-16,44-46H2,1-4H3,(H-,47,57,58,59)/p+1",JADXSLIHZVWNHW-UHFFFAOYNA-O,C43H57N6O15,Not Found,897.955,-7.040568421,12,19,10,7,RNA hairpin Kan 6' Ac HP8: 5'-[ACGGGUCGU]-3',"The compound interacts with the specific sequence of RNA hairpin Kan. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL807,6'acylated derivatives of the aminoglycosides  TAMRA-Labeled Kanamycin A (3),"9-{2-carboxy-4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]phenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C43H56N6O15/c1-48(2)18-6-9-21-26(12-18)60-27-13-19(49(3)4)7-10-22(27)30(21)20-8-5-17(11-23(20)41(58)59)40(57)47-15-28-33(52)35(54)36(55)43(61-28)64-39-25(45)14-24(44)38(37(39)56)63-42-34(53)31(46)32(51)29(16-50)62-42/h5-13,24-25,28-29,31-39,42-43,50-56H,14-16,44-46H2,1-4H3,(H-,47,57,58,59)/p+1",JADXSLIHZVWNHW-UHFFFAOYNA-O,C43H57N6O15,Not Found,897.955,-7.040568421,12,19,10,7,RNA hairpin Kan 6' Ac HP9: 5'-[ACACCCGCGU]-3',"The compound interacts with the specific sequence of RNA hairpin Kan. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL808,6'acylated derivatives of the aminoglycosides  TAMRA-Labeled Kanamycin A (3),"9-{2-carboxy-4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]phenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C43H56N6O15/c1-48(2)18-6-9-21-26(12-18)60-27-13-19(49(3)4)7-10-22(27)30(21)20-8-5-17(11-23(20)41(58)59)40(57)47-15-28-33(52)35(54)36(55)43(61-28)64-39-25(45)14-24(44)38(37(39)56)63-42-34(53)31(46)32(51)29(16-50)62-42/h5-13,24-25,28-29,31-39,42-43,50-56H,14-16,44-46H2,1-4H3,(H-,47,57,58,59)/p+1",JADXSLIHZVWNHW-UHFFFAOYNA-O,C43H57N6O15,Not Found,897.955,-7.040568421,12,19,10,7,RNA hairpin Kan 6' Ac HP10: 5'-[ACACACACGU]-3',"The compound interacts with the specific sequence of RNA hairpin Kan. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL809,6'acylated derivatives of the aminoglycosides  TAMRA-Labeled Kanamycin A (3),"9-{2-carboxy-4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]phenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C43H56N6O15/c1-48(2)18-6-9-21-26(12-18)60-27-13-19(49(3)4)7-10-22(27)30(21)20-8-5-17(11-23(20)41(58)59)40(57)47-15-28-33(52)35(54)36(55)43(61-28)64-39-25(45)14-24(44)38(37(39)56)63-42-34(53)31(46)32(51)29(16-50)62-42/h5-13,24-25,28-29,31-39,42-43,50-56H,14-16,44-46H2,1-4H3,(H-,47,57,58,59)/p+1",JADXSLIHZVWNHW-UHFFFAOYNA-O,C43H57N6O15,Not Found,897.955,-7.040568421,12,19,10,7,RNA hairpin Kan 6' Ac HP11: 5'-[ACUCAAGGGU]-3',"The compound interacts with the specific sequence of RNA hairpin Kan. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL810,6'acylated derivatives of the aminoglycosides  TAMRA-Labeled Kanamycin A (3),"9-{2-carboxy-4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]phenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C43H56N6O15/c1-48(2)18-6-9-21-26(12-18)60-27-13-19(49(3)4)7-10-22(27)30(21)20-8-5-17(11-23(20)41(58)59)40(57)47-15-28-33(52)35(54)36(55)43(61-28)64-39-25(45)14-24(44)38(37(39)56)63-42-34(53)31(46)32(51)29(16-50)62-42/h5-13,24-25,28-29,31-39,42-43,50-56H,14-16,44-46H2,1-4H3,(H-,47,57,58,59)/p+1",JADXSLIHZVWNHW-UHFFFAOYNA-O,C43H57N6O15,Not Found,897.955,-7.040568421,12,19,10,7,RNA hairpin Kan 6' Ac HP12: 5'-[ACAUCGCGGU]-3',"The compound interacts with the specific sequence of RNA hairpin Kan. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL811,6'acylated derivatives of the aminoglycosides  TAMRA-Labeled Kanamycin A (3),"9-{2-carboxy-4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]phenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C43H56N6O15/c1-48(2)18-6-9-21-26(12-18)60-27-13-19(49(3)4)7-10-22(27)30(21)20-8-5-17(11-23(20)41(58)59)40(57)47-15-28-33(52)35(54)36(55)43(61-28)64-39-25(45)14-24(44)38(37(39)56)63-42-34(53)31(46)32(51)29(16-50)62-42/h5-13,24-25,28-29,31-39,42-43,50-56H,14-16,44-46H2,1-4H3,(H-,47,57,58,59)/p+1",JADXSLIHZVWNHW-UHFFFAOYNA-O,C43H57N6O15,Not Found,897.955,-7.040568421,12,19,10,7,RNA hairpin Kan 6' Ac HP13: 5'-[ACACGUCGGU]-3',"The compound interacts with the specific sequence of RNA hairpin Kan. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL812,6'acylated derivatives of the aminoglycosides  TAMRA-Labeled Kanamycin A (3),"9-{2-carboxy-4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]phenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C43H56N6O15/c1-48(2)18-6-9-21-26(12-18)60-27-13-19(49(3)4)7-10-22(27)30(21)20-8-5-17(11-23(20)41(58)59)40(57)47-15-28-33(52)35(54)36(55)43(61-28)64-39-25(45)14-24(44)38(37(39)56)63-42-34(53)31(46)32(51)29(16-50)62-42/h5-13,24-25,28-29,31-39,42-43,50-56H,14-16,44-46H2,1-4H3,(H-,47,57,58,59)/p+1",JADXSLIHZVWNHW-UHFFFAOYNA-O,C43H57N6O15,Not Found,897.955,-7.040568421,12,19,10,7,RNA hairpin Kan 6' Ac HP14: 5'-[ ACACUGGCGU]-3',"The compound interacts with the specific sequence of RNA hairpin Kan. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL813,6'acylated derivatives of the aminoglycosides  TAMRA-Labeled Kanamycin A (3),"9-{2-carboxy-4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]phenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C43H56N6O15/c1-48(2)18-6-9-21-26(12-18)60-27-13-19(49(3)4)7-10-22(27)30(21)20-8-5-17(11-23(20)41(58)59)40(57)47-15-28-33(52)35(54)36(55)43(61-28)64-39-25(45)14-24(44)38(37(39)56)63-42-34(53)31(46)32(51)29(16-50)62-42/h5-13,24-25,28-29,31-39,42-43,50-56H,14-16,44-46H2,1-4H3,(H-,47,57,58,59)/p+1",JADXSLIHZVWNHW-UHFFFAOYNA-O,C43H57N6O15,Not Found,897.955,-7.040568421,12,19,10,7,RNA hairpin Kan 6' Ac HP15: 5'-[ACAGCCGCGU]-3',"The compound interacts with the specific sequence of RNA hairpin Kan. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL814,6'acylated derivatives of the aminoglycosides  TAMRA-Labeled Kanamycin A (3),"9-{2-carboxy-4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]phenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C43H56N6O15/c1-48(2)18-6-9-21-26(12-18)60-27-13-19(49(3)4)7-10-22(27)30(21)20-8-5-17(11-23(20)41(58)59)40(57)47-15-28-33(52)35(54)36(55)43(61-28)64-39-25(45)14-24(44)38(37(39)56)63-42-34(53)31(46)32(51)29(16-50)62-42/h5-13,24-25,28-29,31-39,42-43,50-56H,14-16,44-46H2,1-4H3,(H-,47,57,58,59)/p+1",JADXSLIHZVWNHW-UHFFFAOYNA-O,C43H57N6O15,Not Found,897.955,-7.040568421,12,19,10,7,RNA hairpin Kan 6' Ac HP16: 5'-[ACACCCCGGU]-3',"The compound interacts with the specific sequence of RNA hairpin Kan. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL815,6'acylated derivatives of the aminoglycosides  TAMRA-Labeled Kanamycin A (3),"9-{2-carboxy-4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]phenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C43H56N6O15/c1-48(2)18-6-9-21-26(12-18)60-27-13-19(49(3)4)7-10-22(27)30(21)20-8-5-17(11-23(20)41(58)59)40(57)47-15-28-33(52)35(54)36(55)43(61-28)64-39-25(45)14-24(44)38(37(39)56)63-42-34(53)31(46)32(51)29(16-50)62-42/h5-13,24-25,28-29,31-39,42-43,50-56H,14-16,44-46H2,1-4H3,(H-,47,57,58,59)/p+1",JADXSLIHZVWNHW-UHFFFAOYNA-O,C43H57N6O15,Not Found,897.955,-7.040568421,12,19,10,7,RNA hairpin Kan 6' Ac HP17: 5'-[ACUUAGCGGU]-3',"The compound interacts with the specific sequence of RNA hairpin Kan. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL816,6'acylated derivatives of the aminoglycosides  TAMRA-Labeled Kanamycin A (3),"9-{2-carboxy-4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]phenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C43H56N6O15/c1-48(2)18-6-9-21-26(12-18)60-27-13-19(49(3)4)7-10-22(27)30(21)20-8-5-17(11-23(20)41(58)59)40(57)47-15-28-33(52)35(54)36(55)43(61-28)64-39-25(45)14-24(44)38(37(39)56)63-42-34(53)31(46)32(51)29(16-50)62-42/h5-13,24-25,28-29,31-39,42-43,50-56H,14-16,44-46H2,1-4H3,(H-,47,57,58,59)/p+1",JADXSLIHZVWNHW-UHFFFAOYNA-O,C43H57N6O15,Not Found,897.955,-7.040568421,12,19,10,7,RNA hairpin Kan 6' Ac HP18: 5'-[ACAAGUGCGU]-3',"The compound interacts with the specific sequence of RNA hairpin Kan. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL817,6'acylated derivatives of the aminoglycosides  TAMRA-Labeled Kanamycin A (3),"9-{2-carboxy-4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]phenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C43H56N6O15/c1-48(2)18-6-9-21-26(12-18)60-27-13-19(49(3)4)7-10-22(27)30(21)20-8-5-17(11-23(20)41(58)59)40(57)47-15-28-33(52)35(54)36(55)43(61-28)64-39-25(45)14-24(44)38(37(39)56)63-42-34(53)31(46)32(51)29(16-50)62-42/h5-13,24-25,28-29,31-39,42-43,50-56H,14-16,44-46H2,1-4H3,(H-,47,57,58,59)/p+1",JADXSLIHZVWNHW-UHFFFAOYNA-O,C43H57N6O15,Not Found,897.955,-7.040568421,12,19,10,7,RNA hairpin Kan 6' Ac HP19: 5'-[ACAGGCUAGU]-3',"The compound interacts with the specific sequence of RNA hairpin Kan. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL818,6'acylated derivatives of the aminoglycosides  TAMRA-Labeled Kanamycin A (3),"9-{2-carboxy-4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]phenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C43H56N6O15/c1-48(2)18-6-9-21-26(12-18)60-27-13-19(49(3)4)7-10-22(27)30(21)20-8-5-17(11-23(20)41(58)59)40(57)47-15-28-33(52)35(54)36(55)43(61-28)64-39-25(45)14-24(44)38(37(39)56)63-42-34(53)31(46)32(51)29(16-50)62-42/h5-13,24-25,28-29,31-39,42-43,50-56H,14-16,44-46H2,1-4H3,(H-,47,57,58,59)/p+1",JADXSLIHZVWNHW-UHFFFAOYNA-O,C43H57N6O15,Not Found,897.955,-7.040568421,12,19,10,7,RNA hairpin Kan 6' Ac HP20: 5'-[ACAGCCCGGU]-3',"The compound interacts with the specific sequence of RNA hairpin Kan. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL819,6'acylated derivatives of the aminoglycosides TAMRA-Labeled neamine  (4),"9-{4-[({5-amino-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-3,4-dihydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(O)C3O)C(N)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C37H46N6O10/c1-42(2)17-6-9-20-25(12-17)51-26-13-18(43(3)4)7-10-21(26)28(20)19-8-5-16(11-22(19)36(49)50)35(48)41-15-27-31(45)32(46)29(40)37(52-27)53-34-24(39)14-23(38)30(44)33(34)47/h5-13,23-24,27,29-34,37,44-47H,14-15,38-40H2,1-4H3,(H-,41,48,49,50)/p+1",LLDHWNWDKUOXGR-UHFFFAOYNA-O,C37H47N6O10,Not Found,735.814,-5.156968303,9,14,7,6,RNA hairpin Nea 5' Ac HP1: 5'-[ACGCCGGCGU]-3',"The compound interacts with the specific sequence of RNA hairpin Nea. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL820,6'acylated derivatives of the aminoglycosides TAMRA-Labeled neamine  (4),"9-{4-[({5-amino-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-3,4-dihydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(O)C3O)C(N)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C37H46N6O10/c1-42(2)17-6-9-20-25(12-17)51-26-13-18(43(3)4)7-10-21(26)28(20)19-8-5-16(11-22(19)36(49)50)35(48)41-15-27-31(45)32(46)29(40)37(52-27)53-34-24(39)14-23(38)30(44)33(34)47/h5-13,23-24,27,29-34,37,44-47H,14-15,38-40H2,1-4H3,(H-,41,48,49,50)/p+1",LLDHWNWDKUOXGR-UHFFFAOYNA-O,C37H47N6O10,Not Found,735.814,-5.156968303,9,14,7,6,RNA hairpin Nea 5' Ac HP2: 5'-[ACCGGCGUGU]-3',"The compound interacts with the specific sequence of RNA hairpin Nea. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL821,6'acylated derivatives of the aminoglycosides TAMRA-Labeled neamine  (4),"9-{4-[({5-amino-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-3,4-dihydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(O)C3O)C(N)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C37H46N6O10/c1-42(2)17-6-9-20-25(12-17)51-26-13-18(43(3)4)7-10-21(26)28(20)19-8-5-16(11-22(19)36(49)50)35(48)41-15-27-31(45)32(46)29(40)37(52-27)53-34-24(39)14-23(38)30(44)33(34)47/h5-13,23-24,27,29-34,37,44-47H,14-15,38-40H2,1-4H3,(H-,41,48,49,50)/p+1",LLDHWNWDKUOXGR-UHFFFAOYNA-O,C37H47N6O10,Not Found,735.814,-5.156968303,9,14,7,6,RNA hairpin Nea 5' Ac HP3: 5'-[ACUUCGGCGU]-3',"The compound interacts with the specific sequence of RNA hairpin Nea. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL822,6'acylated derivatives of the aminoglycosides TAMRA-Labeled neamine  (4),"9-{4-[({5-amino-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-3,4-dihydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(O)C3O)C(N)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C37H46N6O10/c1-42(2)17-6-9-20-25(12-17)51-26-13-18(43(3)4)7-10-21(26)28(20)19-8-5-16(11-22(19)36(49)50)35(48)41-15-27-31(45)32(46)29(40)37(52-27)53-34-24(39)14-23(38)30(44)33(34)47/h5-13,23-24,27,29-34,37,44-47H,14-15,38-40H2,1-4H3,(H-,41,48,49,50)/p+1",LLDHWNWDKUOXGR-UHFFFAOYNA-O,C37H47N6O10,Not Found,735.814,-5.156968303,9,14,7,6,RNA hairpin Nea 5' Ac HP4: 5'-[ACGCCCUGGU]-3',"The compound interacts with the specific sequence of RNA hairpin Nea. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL823,6'acylated derivatives of the aminoglycosides TAMRA-Labeled neamine  (4),"9-{4-[({5-amino-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-3,4-dihydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(O)C3O)C(N)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C37H46N6O10/c1-42(2)17-6-9-20-25(12-17)51-26-13-18(43(3)4)7-10-21(26)28(20)19-8-5-16(11-22(19)36(49)50)35(48)41-15-27-31(45)32(46)29(40)37(52-27)53-34-24(39)14-23(38)30(44)33(34)47/h5-13,23-24,27,29-34,37,44-47H,14-15,38-40H2,1-4H3,(H-,41,48,49,50)/p+1",LLDHWNWDKUOXGR-UHFFFAOYNA-O,C37H47N6O10,Not Found,735.814,-5.156968303,9,14,7,6,RNA hairpin Nea 5' Ac HP5: 5'-[ACCACCGGGU]-3',"The compound interacts with the specific sequence of RNA hairpin Nea. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL824,6'acylated derivatives of the aminoglycosides TAMRA-Labeled neamine  (4),"9-{4-[({5-amino-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-3,4-dihydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(O)C3O)C(N)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C37H46N6O10/c1-42(2)17-6-9-20-25(12-17)51-26-13-18(43(3)4)7-10-21(26)28(20)19-8-5-16(11-22(19)36(49)50)35(48)41-15-27-31(45)32(46)29(40)37(52-27)53-34-24(39)14-23(38)30(44)33(34)47/h5-13,23-24,27,29-34,37,44-47H,14-15,38-40H2,1-4H3,(H-,41,48,49,50)/p+1",LLDHWNWDKUOXGR-UHFFFAOYNA-O,C37H47N6O10,Not Found,735.814,-5.156968303,9,14,7,6,RNA hairpin Nea 5' Ac HP6: 5'-[ACACGCUGGU]-3',"The compound interacts with the specific sequence of RNA hairpin Nea. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL825,6'acylated derivatives of the aminoglycosides TAMRA-Labeled neamine  (4),"9-{4-[({5-amino-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-3,4-dihydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(O)C3O)C(N)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C37H46N6O10/c1-42(2)17-6-9-20-25(12-17)51-26-13-18(43(3)4)7-10-21(26)28(20)19-8-5-16(11-22(19)36(49)50)35(48)41-15-27-31(45)32(46)29(40)37(52-27)53-34-24(39)14-23(38)30(44)33(34)47/h5-13,23-24,27,29-34,37,44-47H,14-15,38-40H2,1-4H3,(H-,41,48,49,50)/p+1",LLDHWNWDKUOXGR-UHFFFAOYNA-O,C37H47N6O10,Not Found,735.814,-5.156968303,9,14,7,6,RNA hairpin Nea 5' Ac HP7: 5'-[ACCACGCUGU]-3',"The compound interacts with the specific sequence of RNA hairpin Nea. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL826,6'acylated derivatives of the aminoglycosides TAMRA-Labeled neamine  (4),"9-{4-[({5-amino-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-3,4-dihydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(O)C3O)C(N)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C37H46N6O10/c1-42(2)17-6-9-20-25(12-17)51-26-13-18(43(3)4)7-10-21(26)28(20)19-8-5-16(11-22(19)36(49)50)35(48)41-15-27-31(45)32(46)29(40)37(52-27)53-34-24(39)14-23(38)30(44)33(34)47/h5-13,23-24,27,29-34,37,44-47H,14-15,38-40H2,1-4H3,(H-,41,48,49,50)/p+1",LLDHWNWDKUOXGR-UHFFFAOYNA-O,C37H47N6O10,Not Found,735.814,-5.156968303,9,14,7,6,RNA hairpin Nea 5' Ac HP8: 5'-[ ACCGUGUAGU]-3',"The compound interacts with the specific sequence of RNA hairpin Nea. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL827,6'acylated derivatives of the aminoglycosides TAMRA-Labeled neamine  (4),"9-{4-[({5-amino-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-3,4-dihydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(O)C3O)C(N)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C37H46N6O10/c1-42(2)17-6-9-20-25(12-17)51-26-13-18(43(3)4)7-10-21(26)28(20)19-8-5-16(11-22(19)36(49)50)35(48)41-15-27-31(45)32(46)29(40)37(52-27)53-34-24(39)14-23(38)30(44)33(34)47/h5-13,23-24,27,29-34,37,44-47H,14-15,38-40H2,1-4H3,(H-,41,48,49,50)/p+1",LLDHWNWDKUOXGR-UHFFFAOYNA-O,C37H47N6O10,Not Found,735.814,-5.156968303,9,14,7,6,RNA hairpin Nea 5' Ac HP9: 5'-[ACAUGCGCGU]-3',"The compound interacts with the specific sequence of RNA hairpin Nea. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL828,6'acylated derivatives of the aminoglycosides TAMRA-Labeled neamine  (4),"9-{4-[({5-amino-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-3,4-dihydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(O)C3O)C(N)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C37H46N6O10/c1-42(2)17-6-9-20-25(12-17)51-26-13-18(43(3)4)7-10-21(26)28(20)19-8-5-16(11-22(19)36(49)50)35(48)41-15-27-31(45)32(46)29(40)37(52-27)53-34-24(39)14-23(38)30(44)33(34)47/h5-13,23-24,27,29-34,37,44-47H,14-15,38-40H2,1-4H3,(H-,41,48,49,50)/p+1",LLDHWNWDKUOXGR-UHFFFAOYNA-O,C37H47N6O10,Not Found,735.814,-5.156968303,9,14,7,6,RNA hairpin Nea 5' Ac HP10: 5'-[ACGGGCUCGU]-3',"The compound interacts with the specific sequence of RNA hairpin Nea. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL829,6'acylated derivatives of the aminoglycosides TAMRA-Labeled neamine  (4),"9-{4-[({5-amino-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-3,4-dihydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(O)C3O)C(N)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C37H46N6O10/c1-42(2)17-6-9-20-25(12-17)51-26-13-18(43(3)4)7-10-21(26)28(20)19-8-5-16(11-22(19)36(49)50)35(48)41-15-27-31(45)32(46)29(40)37(52-27)53-34-24(39)14-23(38)30(44)33(34)47/h5-13,23-24,27,29-34,37,44-47H,14-15,38-40H2,1-4H3,(H-,41,48,49,50)/p+1",LLDHWNWDKUOXGR-UHFFFAOYNA-O,C37H47N6O10,Not Found,735.814,-5.156968303,9,14,7,6,RNA hairpin Nea 5' Ac HP11: 5'-[ACCGUCCCGU]-3',"The compound interacts with the specific sequence of RNA hairpin Nea. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL830,6'acylated derivatives of the aminoglycosides TAMRA-Labeled neamine  (4),"9-{4-[({5-amino-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-3,4-dihydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(O)C3O)C(N)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C37H46N6O10/c1-42(2)17-6-9-20-25(12-17)51-26-13-18(43(3)4)7-10-21(26)28(20)19-8-5-16(11-22(19)36(49)50)35(48)41-15-27-31(45)32(46)29(40)37(52-27)53-34-24(39)14-23(38)30(44)33(34)47/h5-13,23-24,27,29-34,37,44-47H,14-15,38-40H2,1-4H3,(H-,41,48,49,50)/p+1",LLDHWNWDKUOXGR-UHFFFAOYNA-O,C37H47N6O10,Not Found,735.814,-5.156968303,9,14,7,6,RNA hairpin Nea 5' Ac HP12: 5'-[ACGGAACGGU]-3',"The compound interacts with the specific sequence of RNA hairpin Nea. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL831,6'acylated derivatives of the aminoglycosides TAMRA-Labeled neamine  (4),"9-{4-[({5-amino-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-3,4-dihydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(O)C3O)C(N)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C37H46N6O10/c1-42(2)17-6-9-20-25(12-17)51-26-13-18(43(3)4)7-10-21(26)28(20)19-8-5-16(11-22(19)36(49)50)35(48)41-15-27-31(45)32(46)29(40)37(52-27)53-34-24(39)14-23(38)30(44)33(34)47/h5-13,23-24,27,29-34,37,44-47H,14-15,38-40H2,1-4H3,(H-,41,48,49,50)/p+1",LLDHWNWDKUOXGR-UHFFFAOYNA-O,C37H47N6O10,Not Found,735.814,-5.156968303,9,14,7,6,RNA hairpin Nea 5' Ac HP13: 5'-[ACAGCAUAGU]-3',"The compound interacts with the specific sequence of RNA hairpin Nea. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL832,6'acylated derivatives of the aminoglycosides TAMRA-Labeled neamine  (4),"9-{4-[({5-amino-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-3,4-dihydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(O)C3O)C(N)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C37H46N6O10/c1-42(2)17-6-9-20-25(12-17)51-26-13-18(43(3)4)7-10-21(26)28(20)19-8-5-16(11-22(19)36(49)50)35(48)41-15-27-31(45)32(46)29(40)37(52-27)53-34-24(39)14-23(38)30(44)33(34)47/h5-13,23-24,27,29-34,37,44-47H,14-15,38-40H2,1-4H3,(H-,41,48,49,50)/p+1",LLDHWNWDKUOXGR-UHFFFAOYNA-O,C37H47N6O10,Not Found,735.814,-5.156968303,9,14,7,6,RNA hairpin Nea 5' Ac HP14: 5'-[ACUGGGCCGU]-3',"The compound interacts with the specific sequence of RNA hairpin Nea. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL833,6'acylated derivatives of the aminoglycosides TAMRA-Labeled neamine  (4),"9-{4-[({5-amino-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-3,4-dihydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(O)C3O)C(N)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C37H46N6O10/c1-42(2)17-6-9-20-25(12-17)51-26-13-18(43(3)4)7-10-21(26)28(20)19-8-5-16(11-22(19)36(49)50)35(48)41-15-27-31(45)32(46)29(40)37(52-27)53-34-24(39)14-23(38)30(44)33(34)47/h5-13,23-24,27,29-34,37,44-47H,14-15,38-40H2,1-4H3,(H-,41,48,49,50)/p+1",LLDHWNWDKUOXGR-UHFFFAOYNA-O,C37H47N6O10,Not Found,735.814,-5.156968303,9,14,7,6,RNA hairpin Nea 5' Ac HP15: 5'-[ ACGCGAAGGU]-3',"The compound interacts with the specific sequence of RNA hairpin Nea. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL834,6'acylated derivatives of the aminoglycosides TAMRA-Labeled neamine  (4),"9-{4-[({5-amino-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-3,4-dihydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(O)C3O)C(N)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C37H46N6O10/c1-42(2)17-6-9-20-25(12-17)51-26-13-18(43(3)4)7-10-21(26)28(20)19-8-5-16(11-22(19)36(49)50)35(48)41-15-27-31(45)32(46)29(40)37(52-27)53-34-24(39)14-23(38)30(44)33(34)47/h5-13,23-24,27,29-34,37,44-47H,14-15,38-40H2,1-4H3,(H-,41,48,49,50)/p+1",LLDHWNWDKUOXGR-UHFFFAOYNA-O,C37H47N6O10,Not Found,735.814,-5.156968303,9,14,7,6,RNA hairpin Nea 5' Ac HP16: 5'-[ACCACCUGGU]-3',"The compound interacts with the specific sequence of RNA hairpin Nea. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL835,6'acylated derivatives of the aminoglycosides TAMRA-Labeled neamine  (4),"9-{4-[({5-amino-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-3,4-dihydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(O)C3O)C(N)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C37H46N6O10/c1-42(2)17-6-9-20-25(12-17)51-26-13-18(43(3)4)7-10-21(26)28(20)19-8-5-16(11-22(19)36(49)50)35(48)41-15-27-31(45)32(46)29(40)37(52-27)53-34-24(39)14-23(38)30(44)33(34)47/h5-13,23-24,27,29-34,37,44-47H,14-15,38-40H2,1-4H3,(H-,41,48,49,50)/p+1",LLDHWNWDKUOXGR-UHFFFAOYNA-O,C37H47N6O10,Not Found,735.814,-5.156968303,9,14,7,6,RNA hairpin Nea 5' Ac HP17: 5'-[ACGAUCACGU]-3',"The compound interacts with the specific sequence of RNA hairpin Nea. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL836,6'acylated derivatives of the aminoglycosides TAMRA-Labeled neamine  (4),"9-{4-[({5-amino-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-3,4-dihydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(O)C3O)C(N)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C37H46N6O10/c1-42(2)17-6-9-20-25(12-17)51-26-13-18(43(3)4)7-10-21(26)28(20)19-8-5-16(11-22(19)36(49)50)35(48)41-15-27-31(45)32(46)29(40)37(52-27)53-34-24(39)14-23(38)30(44)33(34)47/h5-13,23-24,27,29-34,37,44-47H,14-15,38-40H2,1-4H3,(H-,41,48,49,50)/p+1",LLDHWNWDKUOXGR-UHFFFAOYNA-O,C37H47N6O10,Not Found,735.814,-5.156968303,9,14,7,6,RNA hairpin Nea 5' Ac HP18: 5'-[ACGACGACGU]-3',"The compound interacts with the specific sequence of RNA hairpin Nea. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL837,6'acylated derivatives of the aminoglycosides TAMRA-Labeled neamine  (4),"9-{4-[({5-amino-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-3,4-dihydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(O)C3O)C(N)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C37H46N6O10/c1-42(2)17-6-9-20-25(12-17)51-26-13-18(43(3)4)7-10-21(26)28(20)19-8-5-16(11-22(19)36(49)50)35(48)41-15-27-31(45)32(46)29(40)37(52-27)53-34-24(39)14-23(38)30(44)33(34)47/h5-13,23-24,27,29-34,37,44-47H,14-15,38-40H2,1-4H3,(H-,41,48,49,50)/p+1",LLDHWNWDKUOXGR-UHFFFAOYNA-O,C37H47N6O10,Not Found,735.814,-5.156968303,9,14,7,6,RNA hairpin Nea 5' Ac HP19: 5'-[ACCGUUGAGU]-3',"The compound interacts with the specific sequence of RNA hairpin Nea. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL838,6'acylated derivatives of the aminoglycosides TAMRA-Labeled neamine  (4),"9-{2-carboxy-4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]phenyl}-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)=[N+](C)C)=C1,"InChI=1/C43H56N6O15/c1-48(2)18-6-9-21-26(12-18)60-27-13-19(49(3)4)7-10-22(27)30(21)20-8-5-17(11-23(20)41(58)59)40(57)47-15-28-33(52)35(54)36(55)43(61-28)64-39-25(45)14-24(44)38(37(39)56)63-42-34(53)31(46)32(51)29(16-50)62-42/h5-13,24-25,28-29,31-39,42-43,50-56H,14-16,44-46H2,1-4H3,(H-,47,57,58,59)/p+1",JADXSLIHZVWNHW-UHFFFAOYNA-O,C43H57N6O15,Not Found,897.955,-7.040568421,12,19,10,7,RNA hairpin Nea 5' Ac HP20: 5'-[ACCAGUCCGU]-3',"The compound interacts with the specific sequence of RNA hairpin Nea. Please, see the reference for details mode of action.",18991404,,,,,,"Aminova O, Paul DJ, Childs-Disney JL, Disney MD. Two-dimensional combinatorial screening identifies specific 6'-acylated kanamycin A- and 6'-acylated neamine-RNA hairpin interactions. Biochemistry. 2008 Dec 2;47(48):12670-9. doi: 10.1021/bi8012615. PMID: 18991404; PMCID: PMC2681321.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18991404/,,,,,,Not Found,No,No,,,,
DBoRL839,Compound 3-3 dimer,"(2R)-6-amino-2-[(2S)-3-{[(2R)-2-{[(1R)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2R)-1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]formamido}ethyl]disulfanyl}-2-{[(2R)-1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]formamido}propanamido]-N-(3-aminopropyl)hexanamide",NCCCC[C@@H](NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H]1CCCN1C(=O)C1=CC=C2OCOC2=C1)C(=O)N[C@H](CCCCN)C(=O)NCCCN)NC(=O)[C@H]1CCCN1C(=O)C1=CC=C2OCOC2=C1)C(=O)NCCCN,"InChI=1S/C50H74N12O12S2/c51-17-3-1-9-33(43(63)55-21-7-19-53)57-45(65)35(59-47(67)37-11-5-23-61(37)49(69)31-13-15-39-41(25-31)73-29-71-39)27-75-76-28-36(46(66)58-34(10-2-4-18-52)44(64)56-22-8-20-54)60-48(68)38-12-6-24-62(38)50(70)32-14-16-40-42(26-32)74-30-72-40/h13-16,25-26,33-38H,1-12,17-24,27-30,51-54H2,(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t33-,34-,35-,36+,37-,38-/m1/s1",JFJDLGPVBGMMHL-STYBVHGBSA-N,C50H74N12O12S2,Not Found,1099.33,-3.615239034,10,16,31,6,RNA (seq A): 5'-[FAM-CCG(CUG)10CGG]-3',This molecule is capable of Inhibiting the (CUG) Repeat of RNA which interacts with MBNL1 in vitro. This compound may use for targeting Myotonic Dystrophy (DM1).,18998634,,,,,,"Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18998634/,,,,,,Not Found,No,No,,,,
DBoRL840,Compound 3-3 dimer,"(2R)-6-amino-2-[(2S)-3-{[(2R)-2-{[(1R)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2R)-1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]formamido}ethyl]disulfanyl}-2-{[(2R)-1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]formamido}propanamido]-N-(3-aminopropyl)hexanamide",NCCCC[C@@H](NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H]1CCCN1C(=O)C1=CC=C2OCOC2=C1)C(=O)N[C@H](CCCCN)C(=O)NCCCN)NC(=O)[C@H]1CCCN1C(=O)C1=CC=C2OCOC2=C1)C(=O)NCCCN,"InChI=1S/C50H74N12O12S2/c51-17-3-1-9-33(43(63)55-21-7-19-53)57-45(65)35(59-47(67)37-11-5-23-61(37)49(69)31-13-15-39-41(25-31)73-29-71-39)27-75-76-28-36(46(66)58-34(10-2-4-18-52)44(64)56-22-8-20-54)60-48(68)38-12-6-24-62(38)50(70)32-14-16-40-42(26-32)74-30-72-40/h13-16,25-26,33-38H,1-12,17-24,27-30,51-54H2,(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t33-,34-,35-,36+,37-,38-/m1/s1",JFJDLGPVBGMMHL-STYBVHGBSA-N,C50H74N12O12S2,Not Found,1099.33,-3.615239034,10,16,31,6,RNA Sequence B: 5'-[GGG(CUG)109GGG]-3',This molecule is capable of Inhibiting the (CUG) Repeat of RNA which interacts with MBNL1 in vitro. This compound may use for targeting Myotonic Dystrophy (DM1).,18998634,,,,,,"Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18998634/,,,,,,Not Found,No,No,,,,
DBoRL841,Compound 3-3 dimer,"(2R)-6-amino-2-[(2S)-3-{[(2R)-2-{[(1R)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2R)-1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]formamido}ethyl]disulfanyl}-2-{[(2R)-1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]formamido}propanamido]-N-(3-aminopropyl)hexanamide",NCCCC[C@@H](NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H]1CCCN1C(=O)C1=CC=C2OCOC2=C1)C(=O)N[C@H](CCCCN)C(=O)NCCCN)NC(=O)[C@H]1CCCN1C(=O)C1=CC=C2OCOC2=C1)C(=O)NCCCN,"InChI=1S/C50H74N12O12S2/c51-17-3-1-9-33(43(63)55-21-7-19-53)57-45(65)35(59-47(67)37-11-5-23-61(37)49(69)31-13-15-39-41(25-31)73-29-71-39)27-75-76-28-36(46(66)58-34(10-2-4-18-52)44(64)56-22-8-20-54)60-48(68)38-12-6-24-62(38)50(70)32-14-16-40-42(26-32)74-30-72-40/h13-16,25-26,33-38H,1-12,17-24,27-30,51-54H2,(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t33-,34-,35-,36+,37-,38-/m1/s1",JFJDLGPVBGMMHL-STYBVHGBSA-N,C50H74N12O12S2,Not Found,1099.33,-3.615239034,10,16,31,6,Stem loop ( Seq. C): 5'-[FAM-CCG(CUG)3GGCAAC(CUG)3CGG]-3',This molecule is capable of Inhibiting the (CUG) Repeat of RNA which interacts with MBNL1 in vitro. This compound may use for targeting Myotonic Dystrophy (DM1).,18998634,,,,,,"Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18998634/,,,,,,Not Found,No,No,,,,
DBoRL842,Compound 3-3 dimer,"(2R)-6-amino-2-[(2S)-3-{[(2R)-2-{[(1R)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2R)-1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]formamido}ethyl]disulfanyl}-2-{[(2R)-1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]formamido}propanamido]-N-(3-aminopropyl)hexanamide",NCCCC[C@@H](NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H]1CCCN1C(=O)C1=CC=C2OCOC2=C1)C(=O)N[C@H](CCCCN)C(=O)NCCCN)NC(=O)[C@H]1CCCN1C(=O)C1=CC=C2OCOC2=C1)C(=O)NCCCN,"InChI=1S/C50H74N12O12S2/c51-17-3-1-9-33(43(63)55-21-7-19-53)57-45(65)35(59-47(67)37-11-5-23-61(37)49(69)31-13-15-39-41(25-31)73-29-71-39)27-75-76-28-36(46(66)58-34(10-2-4-18-52)44(64)56-22-8-20-54)60-48(68)38-12-6-24-62(38)50(70)32-14-16-40-42(26-32)74-30-72-40/h13-16,25-26,33-38H,1-12,17-24,27-30,51-54H2,(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t33-,34-,35-,36+,37-,38-/m1/s1",JFJDLGPVBGMMHL-STYBVHGBSA-N,C50H74N12O12S2,Not Found,1099.33,-3.615239034,10,16,31,6,(CUG) loop RNA (Seq. D): 5'-[FAM-CGCGCUGCUGCGCG]-3',This molecule is capable of Inhibiting the (CUG) Repeat of RNA which interacts with MBNL1 in vitro. This compound may use for targeting Myotonic Dystrophy (DM1).,18998634,,,,,,"Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18998634/,,,,,,Not Found,No,No,,,,
DBoRL843,Compound 3-3 dimer,"(2R)-6-amino-2-[(2S)-3-{[(2R)-2-{[(1R)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2R)-1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]formamido}ethyl]disulfanyl}-2-{[(2R)-1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]formamido}propanamido]-N-(3-aminopropyl)hexanamide",NCCCC[C@@H](NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H]1CCCN1C(=O)C1=CC=C2OCOC2=C1)C(=O)N[C@H](CCCCN)C(=O)NCCCN)NC(=O)[C@H]1CCCN1C(=O)C1=CC=C2OCOC2=C1)C(=O)NCCCN,"InChI=1S/C50H74N12O12S2/c51-17-3-1-9-33(43(63)55-21-7-19-53)57-45(65)35(59-47(67)37-11-5-23-61(37)49(69)31-13-15-39-41(25-31)73-29-71-39)27-75-76-28-36(46(66)58-34(10-2-4-18-52)44(64)56-22-8-20-54)60-48(68)38-12-6-24-62(38)50(70)32-14-16-40-42(26-32)74-30-72-40/h13-16,25-26,33-38H,1-12,17-24,27-30,51-54H2,(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t33-,34-,35-,36+,37-,38-/m1/s1",JFJDLGPVBGMMHL-STYBVHGBSA-N,C50H74N12O12S2,Not Found,1099.33,-3.615239034,10,16,31,6,RNA hairpin (Seq. E): 5'-[FAM-CCAGCUGGCAACAGCUGG]-3',This molecule is capable of Inhibiting the (CUG) Repeat of RNA which interacts with MBNL1 in vitro. This compound may use for targeting Myotonic Dystrophy (DM1).,18998634,,,,,,"Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18998634/,,,,,,Not Found,No,No,,,,
DBoRL844,Compound 3-3 dimer,"(2R)-6-amino-2-[(2S)-3-{[(2R)-2-{[(1R)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2R)-1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]formamido}ethyl]disulfanyl}-2-{[(2R)-1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]formamido}propanamido]-N-(3-aminopropyl)hexanamide",NCCCC[C@@H](NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H]1CCCN1C(=O)C1=CC=C2OCOC2=C1)C(=O)N[C@H](CCCCN)C(=O)NCCCN)NC(=O)[C@H]1CCCN1C(=O)C1=CC=C2OCOC2=C1)C(=O)NCCCN,"InChI=1S/C50H74N12O12S2/c51-17-3-1-9-33(43(63)55-21-7-19-53)57-45(65)35(59-47(67)37-11-5-23-61(37)49(69)31-13-15-39-41(25-31)73-29-71-39)27-75-76-28-36(46(66)58-34(10-2-4-18-52)44(64)56-22-8-20-54)60-48(68)38-12-6-24-62(38)50(70)32-14-16-40-42(26-32)74-30-72-40/h13-16,25-26,33-38H,1-12,17-24,27-30,51-54H2,(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t33-,34-,35-,36+,37-,38-/m1/s1",JFJDLGPVBGMMHL-STYBVHGBSA-N,C50H74N12O12S2,Not Found,1099.33,-3.615239034,10,16,31,6,RNA hairpin( Seq. F): 5'-[FAM-GGCCUUCCCACAAGGGAAGGCC]-3',This molecule is capable of Inhibiting the (CUG) Repeat of RNA which interacts with MBNL1 in vitro. This compound may use for targeting Myotonic Dystrophy (DM1).,18998634,,,,,,"Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18998634/,,,,,,Not Found,No,No,,,,
DBoRL845,Compound 4-4 dimer,(2R)-6-amino-2-[(2S)-3-{[(2R)-2-{[(1R)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2R)-1-(2-ethylquinoline-3-carbonyl)pyrrolidin-2-yl]formamido}ethyl]disulfanyl}-2-{[(2R)-1-(2-ethylquinoline-3-carbonyl)pyrrolidin-2-yl]formamido}propanamido]-N-(3-aminopropyl)hexanamide,CCC1=NC2=C(C=CC=C2)C=C1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H]1CCCN1C(=O)C1=C(CC)N=C2C=CC=CC2=C1)C(=O)N[C@H](CCCCN)C(=O)NCCCN)C(=O)N[C@H](CCCCN)C(=O)NCCCN,"InChI=1S/C58H84N14O8S2/c1-3-41-39(33-37-17-5-7-19-43(37)65-41)57(79)71-31-13-23-49(71)55(77)69-47(53(75)67-45(21-9-11-25-59)51(73)63-29-15-27-61)35-81-82-36-48(54(76)68-46(22-10-12-26-60)52(74)64-30-16-28-62)70-56(78)50-24-14-32-72(50)58(80)40-34-38-18-6-8-20-44(38)66-42(40)4-2/h5-8,17-20,33-34,45-50H,3-4,9-16,21-32,35-36,59-62H2,1-2H3,(H,63,73)(H,64,74)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t45-,46-,47-,48+,49-,50-/m1/s1",QNBIPVRCBPCZHB-CRCNGTOHSA-N,C58H84N14O8S2,Not Found,1169.52,-0.788313131,10,14,33,6,RNA (seq A): 5'-[FAM-CCG(CUG)10CGG]-3',This molecule is capable of Inhibiting the (CUG) Repeat of RNA which interacts with MBNL1 in vitro. This compound may use for targeting Myotonic Dystrophy (DM1).,18998634,,,,,,"Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18998634/,,,,,,Not Found,No,No,,,,
DBoRL846,Compound 4-4 dimer,(2R)-6-amino-2-[(2S)-3-{[(2R)-2-{[(1R)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2R)-1-(2-ethylquinoline-3-carbonyl)pyrrolidin-2-yl]formamido}ethyl]disulfanyl}-2-{[(2R)-1-(2-ethylquinoline-3-carbonyl)pyrrolidin-2-yl]formamido}propanamido]-N-(3-aminopropyl)hexanamide,CCC1=NC2=C(C=CC=C2)C=C1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H]1CCCN1C(=O)C1=C(CC)N=C2C=CC=CC2=C1)C(=O)N[C@H](CCCCN)C(=O)NCCCN)C(=O)N[C@H](CCCCN)C(=O)NCCCN,"InChI=1S/C58H84N14O8S2/c1-3-41-39(33-37-17-5-7-19-43(37)65-41)57(79)71-31-13-23-49(71)55(77)69-47(53(75)67-45(21-9-11-25-59)51(73)63-29-15-27-61)35-81-82-36-48(54(76)68-46(22-10-12-26-60)52(74)64-30-16-28-62)70-56(78)50-24-14-32-72(50)58(80)40-34-38-18-6-8-20-44(38)66-42(40)4-2/h5-8,17-20,33-34,45-50H,3-4,9-16,21-32,35-36,59-62H2,1-2H3,(H,63,73)(H,64,74)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t45-,46-,47-,48+,49-,50-/m1/s1",QNBIPVRCBPCZHB-CRCNGTOHSA-N,C58H84N14O8S2,Not Found,1169.52,-0.788313131,10,14,33,6,RNA Sequence B: 5'-[GGG(CUG)109GGG]-3',This molecule is capable of Inhibiting the (CUG) Repeat of RNA which interacts with MBNL1 in vitro. This compound may use for targeting Myotonic Dystrophy (DM1).,18998634,,,,,,"Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18998634/,,,,,,Not Found,No,No,,,,
DBoRL847,Compound 4-4 dimer,(2R)-6-amino-2-[(2S)-3-{[(2R)-2-{[(1R)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2R)-1-(2-ethylquinoline-3-carbonyl)pyrrolidin-2-yl]formamido}ethyl]disulfanyl}-2-{[(2R)-1-(2-ethylquinoline-3-carbonyl)pyrrolidin-2-yl]formamido}propanamido]-N-(3-aminopropyl)hexanamide,CCC1=NC2=C(C=CC=C2)C=C1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H]1CCCN1C(=O)C1=C(CC)N=C2C=CC=CC2=C1)C(=O)N[C@H](CCCCN)C(=O)NCCCN)C(=O)N[C@H](CCCCN)C(=O)NCCCN,"InChI=1S/C58H84N14O8S2/c1-3-41-39(33-37-17-5-7-19-43(37)65-41)57(79)71-31-13-23-49(71)55(77)69-47(53(75)67-45(21-9-11-25-59)51(73)63-29-15-27-61)35-81-82-36-48(54(76)68-46(22-10-12-26-60)52(74)64-30-16-28-62)70-56(78)50-24-14-32-72(50)58(80)40-34-38-18-6-8-20-44(38)66-42(40)4-2/h5-8,17-20,33-34,45-50H,3-4,9-16,21-32,35-36,59-62H2,1-2H3,(H,63,73)(H,64,74)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t45-,46-,47-,48+,49-,50-/m1/s1",QNBIPVRCBPCZHB-CRCNGTOHSA-N,C58H84N14O8S2,Not Found,1169.52,-0.788313131,10,14,33,6,Stem loop ( Seq. C): 5'-[FAM-CCG(CUG)3GGCAAC(CUG)3CGG]-3',This molecule is capable of Inhibiting the (CUG) Repeat of RNA which interacts with MBNL1 in vitro. This compound may use for targeting Myotonic Dystrophy (DM1).,18998634,,,,,,"Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18998634/,,,,,,Not Found,No,No,,,,
DBoRL848,Compound 4-4 dimer,(2R)-6-amino-2-[(2S)-3-{[(2R)-2-{[(1R)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2R)-1-(2-ethylquinoline-3-carbonyl)pyrrolidin-2-yl]formamido}ethyl]disulfanyl}-2-{[(2R)-1-(2-ethylquinoline-3-carbonyl)pyrrolidin-2-yl]formamido}propanamido]-N-(3-aminopropyl)hexanamide,CCC1=NC2=C(C=CC=C2)C=C1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H]1CCCN1C(=O)C1=C(CC)N=C2C=CC=CC2=C1)C(=O)N[C@H](CCCCN)C(=O)NCCCN)C(=O)N[C@H](CCCCN)C(=O)NCCCN,"InChI=1S/C58H84N14O8S2/c1-3-41-39(33-37-17-5-7-19-43(37)65-41)57(79)71-31-13-23-49(71)55(77)69-47(53(75)67-45(21-9-11-25-59)51(73)63-29-15-27-61)35-81-82-36-48(54(76)68-46(22-10-12-26-60)52(74)64-30-16-28-62)70-56(78)50-24-14-32-72(50)58(80)40-34-38-18-6-8-20-44(38)66-42(40)4-2/h5-8,17-20,33-34,45-50H,3-4,9-16,21-32,35-36,59-62H2,1-2H3,(H,63,73)(H,64,74)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t45-,46-,47-,48+,49-,50-/m1/s1",QNBIPVRCBPCZHB-CRCNGTOHSA-N,C58H84N14O8S2,Not Found,1169.52,-0.788313131,10,14,33,6,(CUG) loop RNA (Seq. D): 5'-[FAM-CGCGCUGCUGCGCG]-3',This molecule is capable of Inhibiting the (CUG) Repeat of RNA which interacts with MBNL1 in vitro. This compound may use for targeting Myotonic Dystrophy (DM1).,18998634,,,,,,"Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18998634/,,,,,,Not Found,No,No,,,,
DBoRL849,Compound 4-4 dimer,(2R)-6-amino-2-[(2S)-3-{[(2R)-2-{[(1R)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2R)-1-(2-ethylquinoline-3-carbonyl)pyrrolidin-2-yl]formamido}ethyl]disulfanyl}-2-{[(2R)-1-(2-ethylquinoline-3-carbonyl)pyrrolidin-2-yl]formamido}propanamido]-N-(3-aminopropyl)hexanamide,CCC1=NC2=C(C=CC=C2)C=C1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H]1CCCN1C(=O)C1=C(CC)N=C2C=CC=CC2=C1)C(=O)N[C@H](CCCCN)C(=O)NCCCN)C(=O)N[C@H](CCCCN)C(=O)NCCCN,"InChI=1S/C58H84N14O8S2/c1-3-41-39(33-37-17-5-7-19-43(37)65-41)57(79)71-31-13-23-49(71)55(77)69-47(53(75)67-45(21-9-11-25-59)51(73)63-29-15-27-61)35-81-82-36-48(54(76)68-46(22-10-12-26-60)52(74)64-30-16-28-62)70-56(78)50-24-14-32-72(50)58(80)40-34-38-18-6-8-20-44(38)66-42(40)4-2/h5-8,17-20,33-34,45-50H,3-4,9-16,21-32,35-36,59-62H2,1-2H3,(H,63,73)(H,64,74)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t45-,46-,47-,48+,49-,50-/m1/s1",QNBIPVRCBPCZHB-CRCNGTOHSA-N,C58H84N14O8S2,Not Found,1169.52,-0.788313131,10,14,33,6,RNA hairpin (Seq. E): 5'-[FAM-CCAGCUGGCAACAGCUGG]-3',This molecule is capable of Inhibiting the (CUG) Repeat of RNA which interacts with MBNL1 in vitro. This compound may use for targeting Myotonic Dystrophy (DM1).,18998634,,,,,,"Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18998634/,,,,,,Not Found,No,No,,,,
DBoRL850,Compound 4-4 dimer,(2R)-6-amino-2-[(2S)-3-{[(2R)-2-{[(1R)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2R)-1-(2-ethylquinoline-3-carbonyl)pyrrolidin-2-yl]formamido}ethyl]disulfanyl}-2-{[(2R)-1-(2-ethylquinoline-3-carbonyl)pyrrolidin-2-yl]formamido}propanamido]-N-(3-aminopropyl)hexanamide,CCC1=NC2=C(C=CC=C2)C=C1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H]1CCCN1C(=O)C1=C(CC)N=C2C=CC=CC2=C1)C(=O)N[C@H](CCCCN)C(=O)NCCCN)C(=O)N[C@H](CCCCN)C(=O)NCCCN,"InChI=1S/C58H84N14O8S2/c1-3-41-39(33-37-17-5-7-19-43(37)65-41)57(79)71-31-13-23-49(71)55(77)69-47(53(75)67-45(21-9-11-25-59)51(73)63-29-15-27-61)35-81-82-36-48(54(76)68-46(22-10-12-26-60)52(74)64-30-16-28-62)70-56(78)50-24-14-32-72(50)58(80)40-34-38-18-6-8-20-44(38)66-42(40)4-2/h5-8,17-20,33-34,45-50H,3-4,9-16,21-32,35-36,59-62H2,1-2H3,(H,63,73)(H,64,74)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t45-,46-,47-,48+,49-,50-/m1/s1",QNBIPVRCBPCZHB-CRCNGTOHSA-N,C58H84N14O8S2,Not Found,1169.52,-0.788313131,10,14,33,6,RNA hairpin( Seq. F): 5'-[FAM-GGCCUUCCCACAAGGGAAGGCC]-3',This molecule is capable of Inhibiting the (CUG) Repeat of RNA which interacts with MBNL1 in vitro. This compound may use for targeting Myotonic Dystrophy (DM1).,18998634,,,,,,"Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18998634/,,,,,,Not Found,No,No,,,,
DBoRL851,Compound 2-4 dimer,(2S)-N-[(1R)-1-{[(1S)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2S)-2-{[(1R)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2R)-1-(2-ethylquinoline-3-carbonyl)pyrrolidin-2-yl]formamido}ethyl]disulfanyl}ethyl]-2-[(2-ethylquinolin-3-yl)formamido]butanediamide,CCC1=NC2=C(C=CC=C2)C=C1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)C1=C(CC)N=C2C=CC=CC2=C1)C(=O)N[C@@H](CCCCN)C(=O)NCCCN)C(=O)N[C@H](CCCCN)C(=O)NCCCN,"InChI=1S/C57H83N15O9S2/c1-3-39-37(30-35-16-5-7-18-41(35)65-39)50(74)69-45(32-49(62)73)53(77)70-46(54(78)67-43(20-9-11-23-58)51(75)63-27-14-25-60)33-82-83-34-47(55(79)68-44(21-10-12-24-59)52(76)64-28-15-26-61)71-56(80)48-22-13-29-72(48)57(81)38-31-36-17-6-8-19-42(36)66-40(38)4-2/h5-8,16-19,30-31,43-48H,3-4,9-15,20-29,32-34,58-61H2,1-2H3,(H2,62,73)(H,63,75)(H,64,76)(H,67,78)(H,68,79)(H,69,74)(H,70,77)(H,71,80)/t43-,44+,45-,46-,47+,48+/m0/s1",QNDLACCYPDRYFK-ICLCXNTRSA-N,C57H83N15O9S2,Not Found,1186.51,-2.51339037,12,15,36,5,RNA (seq A): 5'-[FAM-CCG(CUG)10CGG]-3',This molecule is capable of Inhibiting the (CUG) Repeat of RNA which interacts with MBNL1 in vitro. This compound may use for targeting Myotonic Dystrophy (DM1).,18998634,,,,,,"Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18998634/,,,,,,Not Found,No,No,,,,
DBoRL852,Compound 2-4 dimer,(2S)-N-[(1R)-1-{[(1S)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2S)-2-{[(1R)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2R)-1-(2-ethylquinoline-3-carbonyl)pyrrolidin-2-yl]formamido}ethyl]disulfanyl}ethyl]-2-[(2-ethylquinolin-3-yl)formamido]butanediamide,CCC1=NC2=C(C=CC=C2)C=C1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)C1=C(CC)N=C2C=CC=CC2=C1)C(=O)N[C@@H](CCCCN)C(=O)NCCCN)C(=O)N[C@H](CCCCN)C(=O)NCCCN,"InChI=1S/C57H83N15O9S2/c1-3-39-37(30-35-16-5-7-18-41(35)65-39)50(74)69-45(32-49(62)73)53(77)70-46(54(78)67-43(20-9-11-23-58)51(75)63-27-14-25-60)33-82-83-34-47(55(79)68-44(21-10-12-24-59)52(76)64-28-15-26-61)71-56(80)48-22-13-29-72(48)57(81)38-31-36-17-6-8-19-42(36)66-40(38)4-2/h5-8,16-19,30-31,43-48H,3-4,9-15,20-29,32-34,58-61H2,1-2H3,(H2,62,73)(H,63,75)(H,64,76)(H,67,78)(H,68,79)(H,69,74)(H,70,77)(H,71,80)/t43-,44+,45-,46-,47+,48+/m0/s1",QNDLACCYPDRYFK-ICLCXNTRSA-N,C57H83N15O9S2,Not Found,1186.51,-2.51339037,12,15,36,5,RNA Sequence B: 5'-[GGG(CUG)109GGG]-3',This molecule is capable of Inhibiting the (CUG) Repeat of RNA which interacts with MBNL1 in vitro. This compound may use for targeting Myotonic Dystrophy (DM1).,18998634,,,,,,"Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18998634/,,,,,,Not Found,No,No,,,,
DBoRL853,Compound 2-4 dimer,(2S)-N-[(1R)-1-{[(1S)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2S)-2-{[(1R)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2R)-1-(2-ethylquinoline-3-carbonyl)pyrrolidin-2-yl]formamido}ethyl]disulfanyl}ethyl]-2-[(2-ethylquinolin-3-yl)formamido]butanediamide,CCC1=NC2=C(C=CC=C2)C=C1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)C1=C(CC)N=C2C=CC=CC2=C1)C(=O)N[C@@H](CCCCN)C(=O)NCCCN)C(=O)N[C@H](CCCCN)C(=O)NCCCN,"InChI=1S/C57H83N15O9S2/c1-3-39-37(30-35-16-5-7-18-41(35)65-39)50(74)69-45(32-49(62)73)53(77)70-46(54(78)67-43(20-9-11-23-58)51(75)63-27-14-25-60)33-82-83-34-47(55(79)68-44(21-10-12-24-59)52(76)64-28-15-26-61)71-56(80)48-22-13-29-72(48)57(81)38-31-36-17-6-8-19-42(36)66-40(38)4-2/h5-8,16-19,30-31,43-48H,3-4,9-15,20-29,32-34,58-61H2,1-2H3,(H2,62,73)(H,63,75)(H,64,76)(H,67,78)(H,68,79)(H,69,74)(H,70,77)(H,71,80)/t43-,44+,45-,46-,47+,48+/m0/s1",QNDLACCYPDRYFK-ICLCXNTRSA-N,C57H83N15O9S2,Not Found,1186.51,-2.51339037,12,15,36,5,Stem loop ( Seq. C): 5'-[FAM-CCG(CUG)3GGCAAC(CUG)3CGG]-3',This molecule is capable of Inhibiting the (CUG) Repeat of RNA which interacts with MBNL1 in vitro. This compound may use for targeting Myotonic Dystrophy (DM1).,18998634,,,,,,"Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18998634/,,,,,,Not Found,No,No,,,,
DBoRL854,Compound 2-4 dimer,(2S)-N-[(1R)-1-{[(1S)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2S)-2-{[(1R)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2R)-1-(2-ethylquinoline-3-carbonyl)pyrrolidin-2-yl]formamido}ethyl]disulfanyl}ethyl]-2-[(2-ethylquinolin-3-yl)formamido]butanediamide,CCC1=NC2=C(C=CC=C2)C=C1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)C1=C(CC)N=C2C=CC=CC2=C1)C(=O)N[C@@H](CCCCN)C(=O)NCCCN)C(=O)N[C@H](CCCCN)C(=O)NCCCN,"InChI=1S/C57H83N15O9S2/c1-3-39-37(30-35-16-5-7-18-41(35)65-39)50(74)69-45(32-49(62)73)53(77)70-46(54(78)67-43(20-9-11-23-58)51(75)63-27-14-25-60)33-82-83-34-47(55(79)68-44(21-10-12-24-59)52(76)64-28-15-26-61)71-56(80)48-22-13-29-72(48)57(81)38-31-36-17-6-8-19-42(36)66-40(38)4-2/h5-8,16-19,30-31,43-48H,3-4,9-15,20-29,32-34,58-61H2,1-2H3,(H2,62,73)(H,63,75)(H,64,76)(H,67,78)(H,68,79)(H,69,74)(H,70,77)(H,71,80)/t43-,44+,45-,46-,47+,48+/m0/s1",QNDLACCYPDRYFK-ICLCXNTRSA-N,C57H83N15O9S2,Not Found,1186.51,-2.51339037,12,15,36,5,(CUG) loop RNA (Seq. D): 5'-[FAM-CGCGCUGCUGCGCG]-3',This molecule is capable of Inhibiting the (CUG) Repeat of RNA which interacts with MBNL1 in vitro. This compound may use for targeting Myotonic Dystrophy (DM1).,18998634,,,,,,"Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18998634/,,,,,,Not Found,No,No,,,,
DBoRL855,Compound 2-4 dimer,(2S)-N-[(1R)-1-{[(1S)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2S)-2-{[(1R)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2R)-1-(2-ethylquinoline-3-carbonyl)pyrrolidin-2-yl]formamido}ethyl]disulfanyl}ethyl]-2-[(2-ethylquinolin-3-yl)formamido]butanediamide,CCC1=NC2=C(C=CC=C2)C=C1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)C1=C(CC)N=C2C=CC=CC2=C1)C(=O)N[C@@H](CCCCN)C(=O)NCCCN)C(=O)N[C@H](CCCCN)C(=O)NCCCN,"InChI=1S/C57H83N15O9S2/c1-3-39-37(30-35-16-5-7-18-41(35)65-39)50(74)69-45(32-49(62)73)53(77)70-46(54(78)67-43(20-9-11-23-58)51(75)63-27-14-25-60)33-82-83-34-47(55(79)68-44(21-10-12-24-59)52(76)64-28-15-26-61)71-56(80)48-22-13-29-72(48)57(81)38-31-36-17-6-8-19-42(36)66-40(38)4-2/h5-8,16-19,30-31,43-48H,3-4,9-15,20-29,32-34,58-61H2,1-2H3,(H2,62,73)(H,63,75)(H,64,76)(H,67,78)(H,68,79)(H,69,74)(H,70,77)(H,71,80)/t43-,44+,45-,46-,47+,48+/m0/s1",QNDLACCYPDRYFK-ICLCXNTRSA-N,C57H83N15O9S2,Not Found,1186.51,-2.51339037,12,15,36,5,RNA hairpin (Seq. E): 5'-[FAM-CCAGCUGGCAACAGCUGG]-3',This molecule is capable of Inhibiting the (CUG) Repeat of RNA which interacts with MBNL1 in vitro. This compound may use for targeting Myotonic Dystrophy (DM1).,18998634,,,,,,"Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18998634/,,,,,,Not Found,No,No,,,,
DBoRL856,Compound 2-4 dimer,(2S)-N-[(1R)-1-{[(1S)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2S)-2-{[(1R)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2R)-1-(2-ethylquinoline-3-carbonyl)pyrrolidin-2-yl]formamido}ethyl]disulfanyl}ethyl]-2-[(2-ethylquinolin-3-yl)formamido]butanediamide,CCC1=NC2=C(C=CC=C2)C=C1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)C1=C(CC)N=C2C=CC=CC2=C1)C(=O)N[C@@H](CCCCN)C(=O)NCCCN)C(=O)N[C@H](CCCCN)C(=O)NCCCN,"InChI=1S/C57H83N15O9S2/c1-3-39-37(30-35-16-5-7-18-41(35)65-39)50(74)69-45(32-49(62)73)53(77)70-46(54(78)67-43(20-9-11-23-58)51(75)63-27-14-25-60)33-82-83-34-47(55(79)68-44(21-10-12-24-59)52(76)64-28-15-26-61)71-56(80)48-22-13-29-72(48)57(81)38-31-36-17-6-8-19-42(36)66-40(38)4-2/h5-8,16-19,30-31,43-48H,3-4,9-15,20-29,32-34,58-61H2,1-2H3,(H2,62,73)(H,63,75)(H,64,76)(H,67,78)(H,68,79)(H,69,74)(H,70,77)(H,71,80)/t43-,44+,45-,46-,47+,48+/m0/s1",QNDLACCYPDRYFK-ICLCXNTRSA-N,C57H83N15O9S2,Not Found,1186.51,-2.51339037,12,15,36,5,RNA hairpin( Seq. F): 5'-[FAM-GGCCUUCCCACAAGGGAAGGCC]-3',This molecule is capable of Inhibiting the (CUG) Repeat of RNA which interacts with MBNL1 in vitro. This compound may use for targeting Myotonic Dystrophy (DM1).,18998634,,,,,,"Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18998634/,,,,,,Not Found,No,No,,,,
DBoRL857,Compound 3-4 dimer,"(2R)-6-amino-2-[(2R)-3-{[(2S)-2-{[(1R)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2R)-1-(2-ethylquinoline-3-carbonyl)pyrrolidin-2-yl]formamido}ethyl]disulfanyl}-2-{[(2R)-1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]formamido}propanamido]-N-(3-aminopropyl)hexanamide",CCC1=NC2=C(C=CC=C2)C=C1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H]1CCCN1C(=O)C1=CC=C2OCOC2=C1)C(=O)N[C@H](CCCCN)C(=O)NCCCN)C(=O)N[C@H](CCCCN)C(=O)NCCCN,"InChI=1S/C54H79N13O10S2/c1-2-37-36(29-34-13-3-4-14-38(34)61-37)54(75)67-28-10-18-44(67)52(73)65-42(50(71)63-40(16-6-8-22-56)48(69)60-26-12-24-58)32-79-78-31-41(49(70)62-39(15-5-7-21-55)47(68)59-25-11-23-57)64-51(72)43-17-9-27-66(43)53(74)35-19-20-45-46(30-35)77-33-76-45/h3-4,13-14,19-20,29-30,39-44H,2,5-12,15-18,21-28,31-33,55-58H2,1H3,(H,59,68)(H,60,69)(H,62,70)(H,63,71)(H,64,72)(H,65,73)/t39-,40-,41+,42-,43-,44-/m1/s1",KXYZLDKDRCDEEC-SQIOVUNISA-N,C54H79N13O10S2,Not Found,1134.43,-2.201404333,10,15,32,6,RNA (seq A): 5'-[FAM-CCG(CUG)10CGG]-3',This molecule is capable of Inhibiting the (CUG) Repeat of RNA which interacts with MBNL1 in vitro. This compound may use for targeting Myotonic Dystrophy (DM1).,18998634,,,,,,"Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18998634/,,,,,,Not Found,No,No,,,,
DBoRL858,Compound 3-4 dimer,"(2R)-6-amino-2-[(2R)-3-{[(2S)-2-{[(1R)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2R)-1-(2-ethylquinoline-3-carbonyl)pyrrolidin-2-yl]formamido}ethyl]disulfanyl}-2-{[(2R)-1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]formamido}propanamido]-N-(3-aminopropyl)hexanamide",CCC1=NC2=C(C=CC=C2)C=C1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H]1CCCN1C(=O)C1=CC=C2OCOC2=C1)C(=O)N[C@H](CCCCN)C(=O)NCCCN)C(=O)N[C@H](CCCCN)C(=O)NCCCN,"InChI=1S/C54H79N13O10S2/c1-2-37-36(29-34-13-3-4-14-38(34)61-37)54(75)67-28-10-18-44(67)52(73)65-42(50(71)63-40(16-6-8-22-56)48(69)60-26-12-24-58)32-79-78-31-41(49(70)62-39(15-5-7-21-55)47(68)59-25-11-23-57)64-51(72)43-17-9-27-66(43)53(74)35-19-20-45-46(30-35)77-33-76-45/h3-4,13-14,19-20,29-30,39-44H,2,5-12,15-18,21-28,31-33,55-58H2,1H3,(H,59,68)(H,60,69)(H,62,70)(H,63,71)(H,64,72)(H,65,73)/t39-,40-,41+,42-,43-,44-/m1/s1",KXYZLDKDRCDEEC-SQIOVUNISA-N,C54H79N13O10S2,Not Found,1134.43,-2.201404333,10,15,32,6,RNA Sequence B: 5'-[GGG(CUG)109GGG]-3',This molecule is capable of Inhibiting the (CUG) Repeat of RNA which interacts with MBNL1 in vitro. This compound may use for targeting Myotonic Dystrophy (DM1).,18998634,,,,,,"Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18998634/,,,,,,Not Found,No,No,,,,
DBoRL859,Compound 3-4 dimer,"(2R)-6-amino-2-[(2R)-3-{[(2S)-2-{[(1R)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2R)-1-(2-ethylquinoline-3-carbonyl)pyrrolidin-2-yl]formamido}ethyl]disulfanyl}-2-{[(2R)-1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]formamido}propanamido]-N-(3-aminopropyl)hexanamide",CCC1=NC2=C(C=CC=C2)C=C1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H]1CCCN1C(=O)C1=CC=C2OCOC2=C1)C(=O)N[C@H](CCCCN)C(=O)NCCCN)C(=O)N[C@H](CCCCN)C(=O)NCCCN,"InChI=1S/C54H79N13O10S2/c1-2-37-36(29-34-13-3-4-14-38(34)61-37)54(75)67-28-10-18-44(67)52(73)65-42(50(71)63-40(16-6-8-22-56)48(69)60-26-12-24-58)32-79-78-31-41(49(70)62-39(15-5-7-21-55)47(68)59-25-11-23-57)64-51(72)43-17-9-27-66(43)53(74)35-19-20-45-46(30-35)77-33-76-45/h3-4,13-14,19-20,29-30,39-44H,2,5-12,15-18,21-28,31-33,55-58H2,1H3,(H,59,68)(H,60,69)(H,62,70)(H,63,71)(H,64,72)(H,65,73)/t39-,40-,41+,42-,43-,44-/m1/s1",KXYZLDKDRCDEEC-SQIOVUNISA-N,C54H79N13O10S2,Not Found,1134.43,-2.201404333,10,15,32,6,Stem loop ( Seq. C): 5'-[FAM-CCG(CUG)3GGCAAC(CUG)3CGG]-3',This molecule is capable of Inhibiting the (CUG) Repeat of RNA which interacts with MBNL1 in vitro. This compound may use for targeting Myotonic Dystrophy (DM1).,18998634,,,,,,"Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18998634/,,,,,,Not Found,No,No,,,,
DBoRL860,Compound 3-4 dimer,"(2R)-6-amino-2-[(2R)-3-{[(2S)-2-{[(1R)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2R)-1-(2-ethylquinoline-3-carbonyl)pyrrolidin-2-yl]formamido}ethyl]disulfanyl}-2-{[(2R)-1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]formamido}propanamido]-N-(3-aminopropyl)hexanamide",CCC1=NC2=C(C=CC=C2)C=C1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H]1CCCN1C(=O)C1=CC=C2OCOC2=C1)C(=O)N[C@H](CCCCN)C(=O)NCCCN)C(=O)N[C@H](CCCCN)C(=O)NCCCN,"InChI=1S/C54H79N13O10S2/c1-2-37-36(29-34-13-3-4-14-38(34)61-37)54(75)67-28-10-18-44(67)52(73)65-42(50(71)63-40(16-6-8-22-56)48(69)60-26-12-24-58)32-79-78-31-41(49(70)62-39(15-5-7-21-55)47(68)59-25-11-23-57)64-51(72)43-17-9-27-66(43)53(74)35-19-20-45-46(30-35)77-33-76-45/h3-4,13-14,19-20,29-30,39-44H,2,5-12,15-18,21-28,31-33,55-58H2,1H3,(H,59,68)(H,60,69)(H,62,70)(H,63,71)(H,64,72)(H,65,73)/t39-,40-,41+,42-,43-,44-/m1/s1",KXYZLDKDRCDEEC-SQIOVUNISA-N,C54H79N13O10S2,Not Found,1134.43,-2.201404333,10,15,32,6,(CUG) loop RNA (Seq. D): 5'-[FAM-CGCGCUGCUGCGCG]-3',This molecule is capable of Inhibiting the (CUG) Repeat of RNA which interacts with MBNL1 in vitro. This compound may use for targeting Myotonic Dystrophy (DM1).,18998634,,,,,,"Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18998634/,,,,,,Not Found,No,No,,,,
DBoRL861,Compound 3-4 dimer,"(2R)-6-amino-2-[(2R)-3-{[(2S)-2-{[(1R)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2R)-1-(2-ethylquinoline-3-carbonyl)pyrrolidin-2-yl]formamido}ethyl]disulfanyl}-2-{[(2R)-1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]formamido}propanamido]-N-(3-aminopropyl)hexanamide",CCC1=NC2=C(C=CC=C2)C=C1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H]1CCCN1C(=O)C1=CC=C2OCOC2=C1)C(=O)N[C@H](CCCCN)C(=O)NCCCN)C(=O)N[C@H](CCCCN)C(=O)NCCCN,"InChI=1S/C54H79N13O10S2/c1-2-37-36(29-34-13-3-4-14-38(34)61-37)54(75)67-28-10-18-44(67)52(73)65-42(50(71)63-40(16-6-8-22-56)48(69)60-26-12-24-58)32-79-78-31-41(49(70)62-39(15-5-7-21-55)47(68)59-25-11-23-57)64-51(72)43-17-9-27-66(43)53(74)35-19-20-45-46(30-35)77-33-76-45/h3-4,13-14,19-20,29-30,39-44H,2,5-12,15-18,21-28,31-33,55-58H2,1H3,(H,59,68)(H,60,69)(H,62,70)(H,63,71)(H,64,72)(H,65,73)/t39-,40-,41+,42-,43-,44-/m1/s1",KXYZLDKDRCDEEC-SQIOVUNISA-N,C54H79N13O10S2,Not Found,1134.43,-2.201404333,10,15,32,6,RNA hairpin (Seq. E): 5'-[FAM-CCAGCUGGCAACAGCUGG]-3',This molecule is capable of Inhibiting the (CUG) Repeat of RNA which interacts with MBNL1 in vitro. This compound may use for targeting Myotonic Dystrophy (DM1).,18998634,,,,,,"Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18998634/,,,,,,Not Found,No,No,,,,
DBoRL862,Compound 3-4 dimer,"(2R)-6-amino-2-[(2R)-3-{[(2S)-2-{[(1R)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]carbamoyl}-2-{[(2R)-1-(2-ethylquinoline-3-carbonyl)pyrrolidin-2-yl]formamido}ethyl]disulfanyl}-2-{[(2R)-1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]formamido}propanamido]-N-(3-aminopropyl)hexanamide",CCC1=NC2=C(C=CC=C2)C=C1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H]1CCCN1C(=O)C1=CC=C2OCOC2=C1)C(=O)N[C@H](CCCCN)C(=O)NCCCN)C(=O)N[C@H](CCCCN)C(=O)NCCCN,"InChI=1S/C54H79N13O10S2/c1-2-37-36(29-34-13-3-4-14-38(34)61-37)54(75)67-28-10-18-44(67)52(73)65-42(50(71)63-40(16-6-8-22-56)48(69)60-26-12-24-58)32-79-78-31-41(49(70)62-39(15-5-7-21-55)47(68)59-25-11-23-57)64-51(72)43-17-9-27-66(43)53(74)35-19-20-45-46(30-35)77-33-76-45/h3-4,13-14,19-20,29-30,39-44H,2,5-12,15-18,21-28,31-33,55-58H2,1H3,(H,59,68)(H,60,69)(H,62,70)(H,63,71)(H,64,72)(H,65,73)/t39-,40-,41+,42-,43-,44-/m1/s1",KXYZLDKDRCDEEC-SQIOVUNISA-N,C54H79N13O10S2,Not Found,1134.43,-2.201404333,10,15,32,6,RNA hairpin( Seq. F): 5'-[FAM-GGCCUUCCCACAAGGGAAGGCC]-3',This molecule is capable of Inhibiting the (CUG) Repeat of RNA which interacts with MBNL1 in vitro. This compound may use for targeting Myotonic Dystrophy (DM1).,18998634,,,,,,"Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18998634/,,,,,,Not Found,No,No,,,,
DBoRL863,Compound 5-5 dimer,N-[(2R)-1-[(2S)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-{[(2R)-3-[(2S)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-2-[(2-ethylquinolin-3-yl)formamido]-3-oxopropyl]disulfanyl}-1-oxopropan-2-yl]-2-ethylquinoline-3-carboxamide,CCC1=NC2=C(C=CC=C2)C=C1C(=O)N[C@@H](CSSC[C@H](NC(=O)C1=CC2=C(C=CC=C2)N=C1CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCN,"InChI=1S/C64H78N12O8S2/c1-3-47-45(37-43-23-11-13-25-49(43)69-47)57(77)73-53(63(83)75-33-15-27-55(75)61(81)71-51(59(79)67-31-17-29-65)35-41-19-7-5-8-20-41)39-85-86-40-54(74-58(78)46-38-44-24-12-14-26-50(44)70-48(46)4-2)64(84)76-34-16-28-56(76)62(82)72-52(60(80)68-32-18-30-66)36-42-21-9-6-10-22-42/h5-14,19-26,37-38,51-56H,3-4,15-18,27-36,39-40,65-66H2,1-2H3,(H,67,79)(H,68,80)(H,71,81)(H,72,82)(H,73,77)(H,74,78)/t51-,52-,53-,54-,55-,56-/m0/s1",WYWYJHHXTNPIOT-FMBXVYBVSA-N,C64H78N12O8S2,Not Found,1207.52,3.023605931,8,12,29,8,RNA (seq A): 5'-[FAM-CCG(CUG)10CGG]-3',This molecule is capable of Inhibiting the (CUG) Repeat of RNA which interacts with MBNL1 in vitro. This compound may use for targeting Myotonic Dystrophy (DM1).,18998634,,,,,,"Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18998634/,,,,,,49864030,No,No,,,,
DBoRL864,Compound 5-5 dimer,N-[(2R)-1-[(2S)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-{[(2R)-3-[(2S)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-2-[(2-ethylquinolin-3-yl)formamido]-3-oxopropyl]disulfanyl}-1-oxopropan-2-yl]-2-ethylquinoline-3-carboxamide,CCC1=NC2=C(C=CC=C2)C=C1C(=O)N[C@@H](CSSC[C@H](NC(=O)C1=CC2=C(C=CC=C2)N=C1CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCN,"InChI=1S/C64H78N12O8S2/c1-3-47-45(37-43-23-11-13-25-49(43)69-47)57(77)73-53(63(83)75-33-15-27-55(75)61(81)71-51(59(79)67-31-17-29-65)35-41-19-7-5-8-20-41)39-85-86-40-54(74-58(78)46-38-44-24-12-14-26-50(44)70-48(46)4-2)64(84)76-34-16-28-56(76)62(82)72-52(60(80)68-32-18-30-66)36-42-21-9-6-10-22-42/h5-14,19-26,37-38,51-56H,3-4,15-18,27-36,39-40,65-66H2,1-2H3,(H,67,79)(H,68,80)(H,71,81)(H,72,82)(H,73,77)(H,74,78)/t51-,52-,53-,54-,55-,56-/m0/s1",WYWYJHHXTNPIOT-FMBXVYBVSA-N,C64H78N12O8S2,Not Found,1207.52,3.023605931,8,12,29,8,RNA hairpin( Seq. F): 5'-[FAM-GGCCUUCCCACAAGGGAAGGCC]-3',This molecule is capable of Inhibiting the (CUG) Repeat of RNA which interacts with MBNL1 in vitro. This compound may use for targeting Myotonic Dystrophy (DM1).,18998634,,,,,,"Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.",,,,,,https://pubmed.ncbi.nlm.nih.gov/18998634/,,,,,,49864030,No,No,,,,
DBoRL865,"8,9-Dimethoxy-1,3-dioxa-6a-azonia-2H-indeno[5,6-a]anthracene","16,17-dimethoxy-5,7-dioxa-13??-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2(10),3,8,11,14,16,18,20-nonaen-13-ylium",COc1ccc2cc3c4cc5c(cc4cc[n+]3cc2c1OC)OCO5,"InChI=1S/C20H16NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-10H,11H2,1-2H3/q+1",MCEWCIREWDZENW-UHFFFAOYSA-N,C20H16NO4,Not Found,334.35,0.482866673,0,4,2,5,poly (A),"8,9-Dimethoxy-1,3-dioxa-6a-azonia-2H-indeno[5,6-a]anthracene exhibits cooperative and shape-selective binding with poly(A) sequence of mRNA and induces a stable secondary structure.",19073699,,,,,,"Cetinkol OP, Hud NV. Molecular recognition of poly(A) by small ligands: an alternative method of analysis reveals nanomolar, cooperative and shape-selective binding. Nucleic Acids Res. 2009 Feb;37(2):611-21. doi: 10.1093/nar/gkn977. Epub 2008 Dec 10. PMID: 19073699; PMCID: PMC2632892.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19073699/,,,,,,436830,No,No,,,,
DBoRL866,Azacyanine (aza3),"10,14-dimethyl-1??,3,10,12,14-pentaazapentacyclo[11.7.0.0?,??.0?,?.0??,??]icosa-1(13),4(9),5,7,11,15,17,19-octaen-1-ylium",[H]C1=CC2=C(C=C1)N1C[N+]3=C(N=C1N2C)N(C)C1=C3C=CC([H])=C1,"InChI=1S/C17H16N5/c1-19-12-7-3-5-9-14(12)21-11-22-15-10-6-4-8-13(15)20(2)17(22)18-16(19)21/h3-10H,11H2,1-2H3/q+1",LCHIJOLXMQFVPX-UHFFFAOYSA-N,C17H16N5,Not Found,290.349,-1.372220761,0,3,0,5,poly (A),Aza3 exhibiting association constants & binds with poly(A) of RNA.,19073699,,,,,,"Cetinkol OP, Hud NV. Molecular recognition of poly(A) by small ligands: an alternative method of analysis reveals nanomolar, cooperative and shape-selective binding. Nucleic Acids Res. 2009 Feb;37(2):611-21. doi: 10.1093/nar/gkn977. Epub 2008 Dec 10. PMID: 19073699; PMCID: PMC2632892.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19073699/,,,,,,404658,No,No,,,,
DBoRL867,Azacyanine (aza5),"7,17-dimethoxy-10,14-dithia-1??,3,12-triazapentacyclo[11.7.0.0?,??.0?,?.0??,??]icosa-1(13),4(9),5,7,11,15,17,19-octaen-1-ylium",COC1=CC2=C(C=C1)N1C[N+]3=C(SC4=C3C=CC(OC)=C4)N=C1S2,"InChI=1S/C17H14N3O2S2/c1-21-10-3-5-12-14(7-10)23-16-18-17-20(9-19(12)16)13-6-4-11(22-2)8-15(13)24-17/h3-8H,9H2,1-2H3/q+1",HAJFSHSXNMOKHJ-UHFFFAOYSA-N,C17H14N3O2S2,Not Found,356.44,0.131900791,0,4,2,5,poly (A),Aza5 exhibiting association constants & binds with poly(A) of RNA.,19073699,,,,,,"Cetinkol OP, Hud NV. Molecular recognition of poly(A) by small ligands: an alternative method of analysis reveals nanomolar, cooperative and shape-selective binding. Nucleic Acids Res. 2009 Feb;37(2):611-21. doi: 10.1093/nar/gkn977. Epub 2008 Dec 10. PMID: 19073699; PMCID: PMC2632892.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19073699/,,,,,,404662,No,No,,,,
DBoRL868,Azacyanine 3,"10,14-dimethyl-1??,3,10,12,14-pentaazapentacyclo[11.7.0.0?,??.0?,?.0??,??]icosa-1(13),4,6,8,11,15,17,19-octaen-1-ylium",CN1C2=Nc3n(C)c4ccccc4[n+]3CN2c2ccccc21,"InChI=1S/C17H16N5/c1-19-12-7-3-5-9-14(12)21-11-22-15-10-6-4-8-13(15)20(2)17(22)18-16(19)21/h3-10H,11H2,1-2H3/q+1",LCHIJOLXMQFVPX-UHFFFAOYSA-N,C17H16N5,Not Found,290.349,-1.372220761,0,3,0,5,Single Stranded Poly(A),Azacyanine 3 binds to poly(A) site of mRNA.,19073699,,,,,,"Cetinkol OP, Hud NV. Molecular recognition of poly(A) by small ligands: an alternative method of analysis reveals nanomolar, cooperative and shape-selective binding. Nucleic Acids Res. 2009 Feb;37(2):611-21. doi: 10.1093/nar/gkn977. Epub 2008 Dec 10. PMID: 19073699; PMCID: PMC2632892.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19073699/,,,,,,404658,No,No,,,,
DBoRL869,Ellipticine,"5,11-dimethyl-6H-pyrido[4,3-b]carbazole",Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12,"InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3",CTSPAMFJBXKSOY-UHFFFAOYSA-N,C17H14N2,519-23-3,246.313,3.889532798,1,1,0,4,Single Stranded Poly(A),Ellipticine binds to poly(A) site of mRNA.,19073699,,,,,,"Cetinkol OP, Hud NV. Molecular recognition of poly(A) by small ligands: an alternative method of analysis reveals nanomolar, cooperative and shape-selective binding. Nucleic Acids Res. 2009 Feb;37(2):611-21. doi: 10.1093/nar/gkn977. Epub 2008 Dec 10. PMID: 19073699; PMCID: PMC2632892.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19073699/,,,,,,3213,No,No,,,,
DBoRL870,Berberine,"16,17-dimethoxy-5,7-dioxa-13??-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2(10),3,8,11,14,16,18,20-nonaen-13-ylium",COC1=CC=C2C=C3C4=C(C=C[N+]3=CC2=C1OC)C=C1OCOC1=C4,"InChI=1S/C20H16NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-10H,11H2,1-2H3/q+1",MCEWCIREWDZENW-UHFFFAOYSA-N,C20H16NO4,Not Found,334.35,0.482866673,0,4,2,5,poly (A),"The compound binds to poly(A) with a Ka of 3.5x10^-1M^-1 (at pH 7; 20 mM NaCl, 208 degree C) as determined by fluorescence titrations. Berberine binds to poly(A) with an association constant of at least 100-fold lower.",19073699,,,,,,"Cetinkol OP, Hud NV. Molecular recognition of poly(A) by small ligands: an alternative method of analysis reveals nanomolar, cooperative and shape-selective binding. Nucleic Acids Res. 2009 Feb;37(2):611-21. doi: 10.1093/nar/gkn977. Epub 2008 Dec 10. PMID: 19073699; PMCID: PMC2632892.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19073699/,,,,,,436830,No,No,,,,
DBoRL871,"10,14-Dimethyl-1,3,12,14-tetraza-10-azoniapentacyclo[11.7.0.03,11.04,9.015,20]icosa-4,6,8,10,12,15,17,19-octaene","10,14-dimethyl-1,3,10,12,14-pentaazapentacyclo[11.7.0.0?,??.0?,?.0??,??]icosa-4,6,8,10,12,15,17,19-octaen-10-ium",CN1C2=Nc3n(c4ccccc4[n+]3C)CN2c2ccccc21,"InChI=1S/C17H16N5/c1-19-12-7-3-5-9-14(12)21-11-22-15-10-6-4-8-13(15)20(2)17(22)18-16(19)21/h3-10H,11H2,1-2H3/q+1",LCHIJOLXMQFVPX-UHFFFAOYSA-N,C17H16N5,Not Found,290.349,-1.372220761,0,3,0,5,poly (A),The compound exhibits cooperative and shape-selective binding with poly(A) sequence of mRNA and induces a stable secondary structure.,19073699,,,,,,"Cetinkol OP, Hud NV. Molecular recognition of poly(A) by small ligands: an alternative method of analysis reveals nanomolar, cooperative and shape-selective binding. Nucleic Acids Res. 2009 Feb;37(2):611-21. doi: 10.1093/nar/gkn977. Epub 2008 Dec 10. PMID: 19073699; PMCID: PMC2632892.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19073699/,,,,,,404658,No,No,,,,
DBoRL872,"7,17-Dimethoxy-10,14-dithia-3,12-diaza-1-azoniapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),4(9),5,7,11,15(20),16,18-octaene","7,17-dimethoxy-10,14-dithia-1??,3,12-triazapentacyclo[11.7.0.0?,??.0?,?.0??,??]icosa-1(13),4,6,8,11,15,17,19-octaen-1-ylium",COc1ccc2c(c1)SC1=Nc3sc4cc(OC)ccc4[n+]3CN12,"InChI=1S/C17H14N3O2S2/c1-21-10-3-5-12-14(7-10)23-16-18-17-20(9-19(12)16)13-6-4-11(22-2)8-15(13)24-17/h3-8H,9H2,1-2H3/q+1",HAJFSHSXNMOKHJ-UHFFFAOYSA-N,C17H14N3O2S2,Not Found,356.44,0.131900791,0,4,2,5,poly (A),The compound exhibits cooperative and shape-selective binding with poly(A) sequence of mRNA and induces a stable secondary structure.,19073699,,,,,,"Cetinkol OP, Hud NV. Molecular recognition of poly(A) by small ligands: an alternative method of analysis reveals nanomolar, cooperative and shape-selective binding. Nucleic Acids Res. 2009 Feb;37(2):611-21. doi: 10.1093/nar/gkn977. Epub 2008 Dec 10. PMID: 19073699; PMCID: PMC2632892.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19073699/,,,,,,404662,No,No,,,,
DBoRL873,Berberine,"16,17-dimethoxy-5,7-dioxa-13??-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2(10),3,8,14,16,18,20-octaen-13-ylium",COC1=C(OC)C2=C(C=C1)C=C1C3=C(CC[N+]1=C2)C=C1OCOC1=C3,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",YBHILYKTIRIUTE-UHFFFAOYSA-N,C20H18NO4,2086-83-1,336.366,-1.283312286,0,4,2,5,poly(A). poly(U),Berberine binds with poly(A).poly(U) region of RNA. The binding increases the melting temperature and stabilize the RNA structure.,19132839,,,,,,"Islam MM, Chowdhury SR, Kumar GS. Spectroscopic and calorimetric studies on the binding of alkaloids berberine, palmatine and coralyne to double stranded RNA polynucleotides. J Phys Chem B. 2009 Jan 29;113(4):1210-24. doi: 10.1021/jp806597w. PMID: 19132839.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19132839/,,,,,,2353,Yes,Yes,Investigational,DB04115,https://go.drugbank.com/drugs/DB04115,
DBoRL874,Berberine,"16,17-dimethoxy-5,7-dioxa-13??-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2(10),3,8,14,16,18,20-octaen-13-ylium",COC1=C(OC)C2=C(C=C1)C=C1C3=C(CC[N+]1=C2)C=C1OCOC1=C3,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",YBHILYKTIRIUTE-UHFFFAOYSA-N,C20H18NO4,2086-83-1,336.366,-1.283312286,0,4,2,5,poly(C).poly(G),Berberine binds with poly(C).poly(G) region of RNA. The binding increases the melting temperature and stabilize the RNA structure.,19132839,,,,,,"Islam MM, Chowdhury SR, Kumar GS. Spectroscopic and calorimetric studies on the binding of alkaloids berberine, palmatine and coralyne to double stranded RNA polynucleotides. J Phys Chem B. 2009 Jan 29;113(4):1210-24. doi: 10.1021/jp806597w. PMID: 19132839.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19132839/,,,,,,2353,Yes,Yes,Investigational,DB04115,https://go.drugbank.com/drugs/DB04115,
DBoRL875,Berberine,"16,17-dimethoxy-5,7-dioxa-13??-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2(10),3,8,14,16,18,20-octaen-13-ylium",COC1=C(OC)C2=C(C=C1)C=C1C3=C(CC[N+]1=C2)C=C1OCOC1=C3,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",YBHILYKTIRIUTE-UHFFFAOYSA-N,C20H18NO4,2086-83-1,336.366,-1.283312286,0,4,2,5,poly(I). poly(C),Berberine binds with poly(I).poly(C) region of RNA. The binding increases the melting temperature and stabilize the RNA structure.,19132839,,,,,,"Islam MM, Chowdhury SR, Kumar GS. Spectroscopic and calorimetric studies on the binding of alkaloids berberine, palmatine and coralyne to double stranded RNA polynucleotides. J Phys Chem B. 2009 Jan 29;113(4):1210-24. doi: 10.1021/jp806597w. PMID: 19132839.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19132839/,,,,,,2353,Yes,Yes,Investigational,DB04115,https://go.drugbank.com/drugs/DB04115,
DBoRL876,Coralyne,"2,3,10,11-tetramethoxy-5-methyl-6??-azatetraphen-6-ylium",COC1=CC2=C(C=C1OC)C1=CC3=C(C=C(OC)C(OC)=C3)C(C)=[N+]1C=C2,"InChI=1S/C22H22NO4/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18/h6-12H,1-5H3/q+1",GOEJQGGEIVSVOK-UHFFFAOYSA-N,C22H22NO4,"38989-38-7,1031265-39-0,38989-37-6",364.42,0.209811641,0,4,4,4,poly(A). poly(U),Coralyne binds with poly(A).poly(U) region of RNA. The binding increases the melting temperature and stabilize the RNA structure.,19132839,,,,,,"Islam MM, Chowdhury SR, Kumar GS. Spectroscopic and calorimetric studies on the binding of alkaloids berberine, palmatine and coralyne to double stranded RNA polynucleotides. J Phys Chem B. 2009 Jan 29;113(4):1210-24. doi: 10.1021/jp806597w. PMID: 19132839.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19132839/,,,,,,23307,No,No,,,,
DBoRL877,Coralyne,"2,3,10,11-tetramethoxy-5-methyl-6??-azatetraphen-6-ylium",COc1cc2cc3c4cc(OC)c(OC)cc4cc[n+]3c(C)c2cc1OC,"InChI=1S/C22H22NO4/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18/h6-12H,1-5H3/q+1",GOEJQGGEIVSVOK-UHFFFAOYSA-N,C22H22NO4,"38989-38-7,1031265-39-0,38989-37-6",364.42,0.209811641,0,4,4,4,poly(I). poly(C),Coralyne binds with Poly(A)poly(U) region of RNA. The binding increases the melting temperature and stabilize the RNA structure.,19132839,,,,,,"Islam MM, Chowdhury SR, Kumar GS. Spectroscopic and calorimetric studies on the binding of alkaloids berberine, palmatine and coralyne to double stranded RNA polynucleotides. J Phys Chem B. 2009 Jan 29;113(4):1210-24. doi: 10.1021/jp806597w. PMID: 19132839.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19132839/,,,,,,23307,No,No,,,,
DBoRL878,Coralyne,"2,3,10,11-tetramethoxy-5-methyl-6??-azatetraphen-6-ylium",COC1=CC2=C(C=C1OC)C1=CC3=C(C=C(OC)C(OC)=C3)C(C)=[N+]1C=C2,"InChI=1S/C22H22NO4/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18/h6-12H,1-5H3/q+1",GOEJQGGEIVSVOK-UHFFFAOYSA-N,C22H22NO4,"38989-38-7,1031265-39-0,38989-37-6",364.42,0.209811641,0,4,4,4,poly(C).poly(G),Coralyne binds with poly(C).poly(G) region of RNA. The binding increases the melting temperature and stabilize the RNA structure.,19132839,,,,,,"Islam MM, Chowdhury SR, Kumar GS. Spectroscopic and calorimetric studies on the binding of alkaloids berberine, palmatine and coralyne to double stranded RNA polynucleotides. J Phys Chem B. 2009 Jan 29;113(4):1210-24. doi: 10.1021/jp806597w. PMID: 19132839.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19132839/,,,,,,23307,No,No,,,,
DBoRL879,Coralyne,"2,3,10,11-tetramethoxy-5-methyl-6??-azatetraphen-6-ylium",COC1=CC2=C(C=C1OC)C1=CC3=C(C=C(OC)C(OC)=C3)C(C)=[N+]1C=C2,"InChI=1S/C22H22NO4/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18/h6-12H,1-5H3/q+1",GOEJQGGEIVSVOK-UHFFFAOYSA-N,C22H22NO4,"38989-38-7,1031265-39-0,38989-37-6",364.42,0.209811641,0,4,4,4,poly(I). poly(C),Coralyne binds with poly(I).poly(C) region of RNA. The binding increases the melting temperature and stabilize the RNA structure.,19132839,,,,,,"Islam MM, Chowdhury SR, Kumar GS. Spectroscopic and calorimetric studies on the binding of alkaloids berberine, palmatine and coralyne to double stranded RNA polynucleotides. J Phys Chem B. 2009 Jan 29;113(4):1210-24. doi: 10.1021/jp806597w. PMID: 19132839.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19132839/,,,,,,23307,No,No,,,,
DBoRL880,Palmatine,"3,4,10,11-tetramethoxy-7,8-dihydro-6??-azatetraphen-6-ylium",COC1=CC2=C(C=C1OC)C1=CC3=C(C=[N+]1CC2)C(OC)=C(OC)C=C3,"InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1",QUCQEUCGKKTEBI-UHFFFAOYSA-N,C21H22NO4,3486-67-7,352.409,-1.221888285,0,4,4,4,poly(A). poly(U),Palmatine binds with poly(A).poly(U) region of RNA. The binding increases the melting temperature and stabilize the RNA structure.,19132839,,,,,,"Islam MM, Chowdhury SR, Kumar GS. Spectroscopic and calorimetric studies on the binding of alkaloids berberine, palmatine and coralyne to double stranded RNA polynucleotides. J Phys Chem B. 2009 Jan 29;113(4):1210-24. doi: 10.1021/jp806597w. PMID: 19132839.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19132839/,,,,,,19009,No,No,,,,
DBoRL881,Palmatine,"3,4,10,11-tetramethoxy-7,8-dihydro-6??-azatetraphen-6-ylium",COC1=CC2=C(C=C1OC)C1=CC3=C(C=[N+]1CC2)C(OC)=C(OC)C=C3,"InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1",QUCQEUCGKKTEBI-UHFFFAOYSA-N,C21H22NO4,3486-67-7,352.409,-1.221888285,0,4,4,4,poly(C).poly(G),Palmatine binds with poly(C).poly(G) region of RNA. The binding increases the melting temperature and stabilize the RNA structure.,19132839,,,,,,"Islam MM, Chowdhury SR, Kumar GS. Spectroscopic and calorimetric studies on the binding of alkaloids berberine, palmatine and coralyne to double stranded RNA polynucleotides. J Phys Chem B. 2009 Jan 29;113(4):1210-24. doi: 10.1021/jp806597w. PMID: 19132839.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19132839/,,,,,,19009,No,No,,,,
DBoRL882,Palmatine,"3,4,10,11-tetramethoxy-7,8-dihydro-6??-azatetraphen-6-ylium",COC1=CC2=C(C=C1OC)C1=CC3=C(C=[N+]1CC2)C(OC)=C(OC)C=C3,"InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1",QUCQEUCGKKTEBI-UHFFFAOYSA-N,C21H22NO4,3486-67-7,352.409,-1.221888285,0,4,4,4,poly(I). poly(C),Palmatine binds with poly(I).poly(C) region of RNA. The binding increases the melting temperature and stabilize the RNA structure.,19132839,,,,,,"Islam MM, Chowdhury SR, Kumar GS. Spectroscopic and calorimetric studies on the binding of alkaloids berberine, palmatine and coralyne to double stranded RNA polynucleotides. J Phys Chem B. 2009 Jan 29;113(4):1210-24. doi: 10.1021/jp806597w. PMID: 19132839.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19132839/,,,,,,19009,No,No,,,,
DBoRL883,FMN,"{[(2R,3R,4S)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy}phosphonic acid",CC1=CC2=C(C=C1C)N(C[C@H](O)[C@@H](O)[C@H](O)COP(O)(O)=O)C1=NC(=O)NC(=O)C1=N2,"InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14+/m0/s1",FVTCRASFADXXNN-OUCADQQQSA-N,C17H21N4O9P,Not Found,456.348,-1.198429543,6,11,7,3,FMN riboswitch from S. davawensis 149 ribB,"Flavin mononucleotide (FMN) binds with gram-positive bacterium Bacillus subtilis riboswitches. These riboswitches control genes responsible for the biosynthesis and transport of riboflavin, a precursor of FMN.",19246992,,,,,,"Lee ER, Blount KF, Breaker RR. Roseoflavin is a natural antibacterial compound that binds to FMN riboswitches and regulates gene expression. RNA Biol. 2009 Apr-Jun;6(2):187-94. doi: 10.4161/rna.6.2.7727. Epub 2009 Apr 30. PMID: 19246992; PMCID: PMC5340298.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19246992/,,,,,,7048781,Yes,Yes,Investigational,DB03247,https://go.drugbank.com/drugs/DB03247,This is the isomeric form of the drug approved by USFDA.
DBoRL884,Riboflavin,"7,8-dimethyl-10-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione",CC1=CC2=C(C=C1C)N(C[C@H](O)[C@@H](O)[C@H](O)CO)C1=NC(=O)NC(=O)C1=N2,"InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14+/m0/s1",AUNGANRZJHBGPY-OUCADQQQSA-N,C17H20N4O6,Not Found,376.369,-0.91654026,5,9,5,3,FMN riboswitch from S. davawensis 149 ribB,Riboflavin is a natural antibacterial compound that binds to FMN riboswitch from S. davawensis 149 ribB and regulates gene expression.,19246992,,,,,,"Lee ER, Blount KF, Breaker RR. Roseoflavin is a natural antibacterial compound that binds to FMN riboswitches and regulates gene expression. RNA Biol. 2009 Apr-Jun;6(2):187-94. doi: 10.4161/rna.6.2.7727. Epub 2009 Apr 30. PMID: 19246992; PMCID: PMC5340298.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19246992/,,,,,,7048776,Yes,Yes,Investigational Nutraceutical Vet_approved,DB00140,https://go.drugbank.com/drugs/DB00140,
DBoRL885,Roseoflavin,"8-(dimethylamino)-7-methyl-10-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione",CN(C)C1=CC2=C(C=C1C)N=C1C(=O)NC(=O)N=C1N2C[C@H](O)[C@@H](O)[C@H](O)CO,"InChI=1S/C18H23N5O6/c1-8-4-9-11(5-10(8)22(2)3)23(6-12(25)15(27)13(26)7-24)16-14(19-9)17(28)21-18(29)20-16/h4-5,12-13,15,24-27H,6-7H2,1-3H3,(H,21,28,29)/t12-,13+,15+/m0/s1",IGQLDUYTWDABFK-GZBFAFLISA-N,C18H23N5O6,Not Found,405.411,-1.415415963,5,10,6,3,FMN riboswitch from S. davawensis 149 ribB,Roseoflavin is a natural antibacterial compound that binds to FMN riboswitch from S. davawensis 149 ribB and regulates gene expression.,19246992,,,,,,"Lee ER, Blount KF, Breaker RR. Roseoflavin is a natural antibacterial compound that binds to FMN riboswitches and regulates gene expression. RNA Biol. 2009 Apr-Jun;6(2):187-94. doi: 10.4161/rna.6.2.7727. Epub 2009 Apr 30. PMID: 19246992; PMCID: PMC5340298.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19246992/,,,,,,93091899,No,No,,,,
DBoRL886,PROFLAVIN PLATINUM DERIVATIVE,,C[N]1(C)CC[N](C)(C)[Pt]1(Cl)CCNC1=CC2=[NH+]C3=C(C=CC(NCC[Pt]4(Cl)[N](C)(C)CC[N]4(C)C)=C3)C=C2C=C1,"InChI=1S/C17H17N3.2C6H16N2.2ClH.2Pt/c1-3-18-14-7-5-12-9-13-6-8-15(19-4-2)11-17(13)20-16(12)10-14;2*1-7(2)5-6-8(3)4;;;;/h5-11,18-19H,1-4H2;2*5-6H2,1-4H3;2*1H;;/q;;;;;2*+1/p-1",JKDRLBAHLUJEKI-UHFFFAOYSA-M,C29H50Cl2N7Pt2,Not Found,957.84,,0,0,8,5,Single Stranded Poly(A),Proflavin platinum derivative binds with single stranded poly(A) and control the structure of this region of RNA. ,19275606,,,,,,"Giri P, Kumar GS. Molecular aspects of small molecules-poly(A) interaction: an approach to RNA based drug design. Curr Med Chem. 2009;16(8):965-87. doi: 10.2174/092986709787581932. PMID: 19275606.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19275606/,,,,,,Not Found,No,No,,,,
DBoRL887,Sanguinarine,"24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0?,??.0?,?.0??,??.0??,??]tetracosa-1(13),2(10),3,8,11,14(22),15,17(21),23-nonaen-24-ium",C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,"InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1",INVGWHRKADIJHF-UHFFFAOYSA-N,C20H14NO4,2447-54-3,332.334,-0.943496642,0,4,0,6,Yeast t-RNA Phe,Sanguinarine binds with Yeast t-RNA phe & interfare in decoding during protein translation.,19275606,,,,,,"Giri P, Kumar GS. Molecular aspects of small molecules-poly(A) interaction: an approach to RNA based drug design. Curr Med Chem. 2009;16(8):965-87. doi: 10.2174/092986709787581932. PMID: 19275606.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19275606/,,,,,,5154,No,No,,,,
DBoRL888,Proflavine,"acridine-3,6-diamine",NC1=CC2=NC3=C(C=CC(N)=C3)C=C2C=C1,"InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2",WDVSHHCDHLJJJR-UHFFFAOYSA-N,C13H11N3,"92-62-6,1811-28-5",209.252,1.848375646,2,3,0,3,2KD4: 5'-[r(GCCGCGGC)]-3',Proflavin work as a intercalating agent to RNA duplex.,19309071,,,,,,"Horowitz ED, Lilavivat S, Holladay BW, Germann MW, Hud NV. Solution structure and thermodynamics of 2',5' RNA intercalation. J Am Chem Soc. 2009 Apr 29;131(16):5831-8. doi: 10.1021/ja810068e. PMID: 19309071.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19309071/,,,,,,7099,Yes,Yes,,DB01123,https://go.drugbank.com/drugs/DB01123,
DBoRL889,Proflavin,"acridine-3,6-diamine",Nc1ccc2cc3ccc(N)cc3nc2c1,"InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2",WDVSHHCDHLJJJR-UHFFFAOYSA-N,C13H11N3,"92-62-6,1811-28-5",209.252,1.848375646,2,3,0,3,"2',5' RNA",Proflavin work as a intercalating agent to RNA duplex.,19309071,,,,,,"Horowitz ED, Lilavivat S, Holladay BW, Germann MW, Hud NV. Solution structure and thermodynamics of 2',5' RNA intercalation. J Am Chem Soc. 2009 Apr 29;131(16):5831-8. doi: 10.1021/ja810068e. PMID: 19309071.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19309071/,,,,,,7099,Yes,Yes,,DB01123,https://go.drugbank.com/drugs/DB01123,
DBoRL890,Netilmicin,"2-[(4-amino-3-{[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-6-(ethylamino)-2-hydroxycyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diol",CCNC1CC(N)C(OC2OC(CN)=CCC2N)C(O)C1OC1OCC(C)(O)C(NC)C1O,"InChI=1/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3",CIDUJQMULVCIBT-UHFFFAOYNA-N,C21H41N5O7,Not Found,475.587,-3.529179202,8,12,8,3,HIV-1 TAR RNA,"HIV-1 trans-activation responsive (TAR) RNA is the binding site of the viral protein Tat, the trans-activator of the HIV-1 LTR. The binding of Tat protein with HIV-1 TAR RNA is important for replication and proliferation of the virus. Doxorubicin targets and binds to HIV-1 TAR RNA and hence Tat protein unable to bind with HIV-1 TAR RNA, which results inhibition of replication and proliferation of HIV-1.",19369218,,,,,,"Frank AT, Stelzer AC, Al-Hashimi HM, Andricioaei I. Constructing RNA dynamical ensembles by combining MD and motionally decoupled NMR RDCs: new insights into RNA dynamics and adaptive ligand recognition. Nucleic Acids Res. 2009 Jun;37(11):3670-9. doi: 10.1093/nar/gkp156. Epub 2009 Apr 15. PMID: 19369218; PMCID: PMC2699496.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19369218/,,,,,,4460,Yes,Yes,Investigational,DB00955,https://go.drugbank.com/drugs/DB00955,
DBoRL891,Coenzyme B12,"4,9,14-tris(2-carbamoylethyl)-3,8,19-tris(carbamoylmethyl)-18-{2-[(2-{[5-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl phosphonato]oxy}propyl)carbamoyl]ethyl}-2,3,6,8,13,13,16,18-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1?,?.1?,??.1??,??]tricosa-5(23),6,10(22),11,15(21),16-hexaen-20-ide [5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methanide cobalt",CC1=C2N=C(C=C3N=C(C(C)=C4[N-]C(C(CC(N)=O)C4(C)CCC(=O)NCC(C)OP(=O)([O-])OC4C(CO)OC(n5cnc6cc(C)c(C)cc65)C4O)C4(C)N=C1C(CCC(N)=O)C4(C)CC(N)=O)C(CCC(N)=O)C3(C)C)C(CCC(N)=O)C2(C)CC(N)=O.[CH2-]C1OC(n2cnc3c(N)ncnc32)C(O)C1O.[Co],"InChI=1/C62H90N13O14P.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;-1;/p-2",DFDCDQDATCDZSO-UHFFFAOYNA-L,C72H100CoN18O17P,Not Found,1579.61,-2.694832903,9,17,27,11,Riboswitch,Coenzyme B12 binds with riboswitch and may play role as RNA inhibitor.,19445516,,,,,,"Design and Implementation of an Ribonucleic Acid (RNA) Directed Fragment Library
Khaled Bodoor, Vamsi Boyapati, Vikram Gopu, Marietta Boisdore, Kiran Allam, Janae Miller, W. Dale Treleaven, Thomas Weldeghiorghis, and Fareed Aboul-ela
Journal of Medicinal Chemistry 2009 52 (12), 3753-3761
DOI: 10.1021/jm9000659 ",,,,,,https://pubmed.ncbi.nlm.nih.gov/19445516/,,,,,,Not Found,No,No,,,,
DBoRL892,NF1,"4-hydroxy-2-oxo-N-[2-(piperidin-1-yl)ethyl]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide",O=C(NCCN1CCCCC1)c1c(O)c2c([nH]c1=O)CCCC2,"InChI=1S/C17H25N3O3/c21-15-12-6-2-3-7-13(12)19-17(23)14(15)16(22)18-8-11-20-9-4-1-5-10-20/h1-11H2,(H,18,22)(H2,19,21,23)",IDDSWBCUVPIUEB-UHFFFAOYSA-N,C17H25N3O3,Not Found,319.405,-0.656189874,3,4,4,3,NA,NF1 may have the potential to binds with RNA. Details mode of action is not known because exact target is not known.,19445516,,,,,,"Bodoor K, Boyapati V, Gopu V, Boisdore M, Allam K, Miller J, Treleaven WD, Weldeghiorghis T, Aboul-ela F. Design and implementation of an ribonucleic acid (RNA) directed fragment library. J Med Chem. 2009 Jun 25;52(12):3753-61. doi: 10.1021/jm9000659. PMID: 19445516.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19445516/,,,,,,Not Found,No,No,,,,
DBoRL893,NF2,[(octahydro-1H-2-benzopyran-1-yl)methyl][3-(piperidin-1-yl)propyl]amine,C1CCN(CCCNCC2OCCC3CCCCC32)CC1,"InChI=1/C18H34N2O/c1-4-11-20(12-5-1)13-6-10-19-15-18-17-8-3-2-7-16(17)9-14-21-18/h16-19H,1-15H2",MFGJAUQBGACIMC-UHFFFAOYNA-N,C18H34N2O,Not Found,294.483,2.676652965,1,3,6,3,NA,NF2 may have the potential to binds with RNA. Details mode of action is not known because exact target is not known.,19445516,,,,,,"Bodoor K, Boyapati V, Gopu V, Boisdore M, Allam K, Miller J, Treleaven WD, Weldeghiorghis T, Aboul-ela F. Design and implementation of an ribonucleic acid (RNA) directed fragment library. J Med Chem. 2009 Jun 25;52(12):3753-61. doi: 10.1021/jm9000659. PMID: 19445516.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19445516/,,,,,,Not Found,No,No,,,,
DBoRL894,NF3,"1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,4,5,6,7,8-hexahydro-1,4-diazocine",COc1ccc(CN2C=CN(C)CCCC2)c(OC)c1,"InChI=1S/C16H24N2O2/c1-17-8-4-5-9-18(11-10-17)13-14-6-7-15(19-2)12-16(14)20-3/h6-7,10-12H,4-5,8-9,13H2,1-3H3",CYZRSKVWDPSBJF-UHFFFAOYSA-N,C16H24N2O2,Not Found,276.38,2.097806867,0,4,4,2,NA,NF3 may have the potential to binds with RNA. Details mode of action is not known because exact target is not known.,19445516,,,,,,"Bodoor K, Boyapati V, Gopu V, Boisdore M, Allam K, Miller J, Treleaven WD, Weldeghiorghis T, Aboul-ela F. Design and implementation of an ribonucleic acid (RNA) directed fragment library. J Med Chem. 2009 Jun 25;52(12):3753-61. doi: 10.1021/jm9000659. PMID: 19445516.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19445516/,,,,,,Not Found,No,No,,,,
DBoRL895,Park Davis 1 ,N-[2-({2-[(5-azatetraphen-12-yl)amino]ethyl}amino)ethyl]-5-azatetraphen-12-amine,c1ccc2c(c1)ccc1c(NCCNCCNc3c4ccccc4nc4c3ccc3ccccc34)c3ccccc3nc12,"InChI=1S/C38H31N5/c1-3-11-27-25(9-1)17-19-31-35(29-13-5-7-15-33(29)42-37(27)31)40-23-21-39-22-24-41-36-30-14-6-8-16-34(30)43-38-28-12-4-2-10-26(28)18-20-32(36)38/h1-20,39H,21-24H2,(H,40,42)(H,41,43)",LLXDXQNVKNNPMJ-UHFFFAOYSA-N,C38H31N5,Not Found,557.701,7.401036517,3,5,8,8,NA,Park Davis 1 may have the potential to binds with RNA. Details mode of action is not known because exact target is not known.,19445516,,,,,,"Bodoor K, Boyapati V, Gopu V, Boisdore M, Allam K, Miller J, Treleaven WD, Weldeghiorghis T, Aboul-ela F. Design and implementation of an ribonucleic acid (RNA) directed fragment library. J Med Chem. 2009 Jun 25;52(12):3753-61. doi: 10.1021/jm9000659. PMID: 19445516.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19445516/,,,,,,21817552,No,No,,,,
DBoRL896,Park Davis 2,benzyldimethylnonadecylaminyl,CCCCCCCCCCCCCCCCCCC[N](C)(C)Cc1ccccc1,"InChI=1S/C28H52N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29(2,3)27-28-24-21-20-22-25-28/h20-22,24-25H,4-19,23,26-27H2,1-3H3",GQVYKLRJRHLSSV-UHFFFAOYSA-N,C28H52N,Not Found,402.731,,0,0,20,1,NA,Park Davis 2 may have the potential to binds with RNA. Details mode of action is not known because exact target is not known.,19445516,,,,,,"Bodoor K, Boyapati V, Gopu V, Boisdore M, Allam K, Miller J, Treleaven WD, Weldeghiorghis T, Aboul-ela F. Design and implementation of an ribonucleic acid (RNA) directed fragment library. J Med Chem. 2009 Jun 25;52(12):3753-61. doi: 10.1021/jm9000659. PMID: 19445516.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19445516/,,,,,,Not Found,Yes,Yes,,DB11583,https://go.drugbank.com/drugs/DB11583,This is the isomeric form of the drug approved by USFDA.
DBoRL897,Park Davis 3,"1-{[(3,4-dichlorophenyl)methyl]sulfanyl}-N,N'-bis(3-heptyl-2,3-dihydro-1,3-thiazol-2-yl)methanediamine",CCCCCCCN1C=CSC1NC(NC1SC=CN1CCCCCCC)SCc1ccc(Cl)c(Cl)c1,"InChI=1/C28H44Cl2N4S3/c1-3-5-7-9-11-15-33-17-19-35-27(33)31-26(37-22-23-13-14-24(29)25(30)21-23)32-28-34(18-20-36-28)16-12-10-8-6-4-2/h13-14,17-21,26-28,31-32H,3-12,15-16,22H2,1-2H3",DTDKHHGVXCCPTM-UHFFFAOYNA-N,C28H44Cl2N4S3,Not Found,603.77,12.56645612,2,4,19,3,NA,Park Davis 3 may have the potential to binds with RNA. Details mode of action is not known because exact target is not known.,19445516,,,,,,"Bodoor K, Boyapati V, Gopu V, Boisdore M, Allam K, Miller J, Treleaven WD, Weldeghiorghis T, Aboul-ela F. Design and implementation of an ribonucleic acid (RNA) directed fragment library. J Med Chem. 2009 Jun 25;52(12):3753-61. doi: 10.1021/jm9000659. PMID: 19445516.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19445516/,,,,,,Not Found,No,No,,,,
DBoRL898,RBT489,3-[4-(1-benzothiophen-2-yl)-2-({[4-(dimethylamino)butyl]amino}methyl)phenoxy]propan-1-amine,CN(C)CCCCNCc1cc(-c2cc3ccccc3s2)ccc1OCCCN,"InChI=1S/C24H33N3OS/c1-27(2)14-6-5-13-26-18-21-16-20(10-11-22(21)28-15-7-12-25)24-17-19-8-3-4-9-23(19)29-24/h3-4,8-11,16-17,26H,5-7,12-15,18,25H2,1-2H3",FXLQBSCCDZYRJG-UHFFFAOYSA-N,C24H33N3OS,Not Found,411.61,3.752822488,2,4,12,3,NA,RBT489 may have the potential to binds with RNA. Details mode of action is not known because exact target is not known.,19445516,,,,,,"Bodoor K, Boyapati V, Gopu V, Boisdore M, Allam K, Miller J, Treleaven WD, Weldeghiorghis T, Aboul-ela F. Design and implementation of an ribonucleic acid (RNA) directed fragment library. J Med Chem. 2009 Jun 25;52(12):3753-61. doi: 10.1021/jm9000659. PMID: 19445516.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19445516/,,,,,,516517,No,No,,,,
DBoRL899,Mitoxantrone,"1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione",O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21,"InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2",KKZJGLLVHKMTCM-UHFFFAOYSA-N,C22H28N4O6,65271-80-9,444.488,0.651459895,8,10,12,3,tau pre-mRNA splicing regulatory element,"Mitoxantrone, an anti-cancer drug, plays a key role to stabilize the tau pre mRNA stem loop. ",19477420,,,,,,"Zheng S, Chen Y, Donahue CP, Wolfe MS, Varani G. Structural basis for stabilization of the tau pre-mRNA splicing regulatory element by novantrone (mitoxantrone). Chem Biol. 2009;16(5):557-566. doi:10.1016/j.chembiol.2009.03.009",,,,,,https://pubmed.ncbi.nlm.nih.gov/19477420/,,,,,,4212,Yes,Yes,Investigational,DB01204,https://go.drugbank.com/drugs/DB01204,
DBoRL900,Mitoxantrone,"1-[(3-amino-5-hydroxypentyl)amino]-5,8-dihydroxy-4-({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione",NC(CCO)CCNC1=CC=C(NCCNCCO)C2=C1C(=O)C1=C(O)C=CC(O)=C1C2=O,"InChI=1/C23H30N4O6/c24-13(6-11-28)5-7-26-14-1-2-15(27-9-8-25-10-12-29)19-18(14)22(32)20-16(30)3-4-17(31)21(20)23(19)33/h1-4,13,25-31H,5-12,24H2",MXMXLFBGKRPYIA-UHFFFAOYNA-N,C23H30N4O6,Not Found,458.515,0.300544174,8,10,12,3,tau pre-mRNA,"Novatrone (mitoxantrone) binds with tau pre-mRNA, which results stabilization of the tau pre-mRNA splicing regulatory element.",19477420,,,,,,"Zheng S, Chen Y, Donahue CP, Wolfe MS, Varani G. Structural basis for stabilization of the tau pre-mRNA splicing regulatory element by novantrone (mitoxantrone). Chem Biol. 2009 May 29;16(5):557-66. doi: 10.1016/j.chembiol.2009.03.009. PMID: 19477420; PMCID: PMC2759301.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19477420/,,,,,,Not Found,Yes,Yes,Investigational,DB01204,https://go.drugbank.com/drugs/DB01204,
DBoRL901,Neomycin,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2",PGBHMTALBVVCIT-UHFFFAOYNA-N,C23H46N6O13,Not Found,614.65,-8.415177746,13,19,9,4,Single-stranded oligonucleotide: ,"Neomycin is an aminoglycoside antibiotic, that binds to various nucleic acid structures. Neomycin is capable of binding tightly to a single-stranded oligonucleotide (A30) with a Kd in the micromolar range. Then, a complex formation occurs in a melting temperature of 47?C. The poly(A) duplex, which generally melts at 44?C (pH 5.5), melt at 61 ?C in the presence of neomycin. So, a strong stabilization of the RNA duplex (specifically, stable conformation in poly(A)) occurs by the neomycin.",19520078,,,,,,"Xi H, Gray D, Kumar S, Arya DP. Molecular recognition of single-stranded RNA: neomycin binding to poly(A). FEBS Lett. 2009 Jul 7;583(13):2269-75. doi: 10.1016/j.febslet.2009.06.007. Epub 2009 Jun 9. PMID: 19520078.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19520078/,,,,,,4454,Yes,Yes,,DB00452,https://go.drugbank.com/drugs/DB00452,
DBoRL902,2-Amino-6-methoxypurine,6-methoxy-7H-purin-2-amine,COc1nc(N)nc2nc[nH]c12,"InChI=1S/C6H7N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)",BXJHWYVXLGLDMZ-UHFFFAOYSA-N,C6H7N5O,20535-83-5,165.156,-0.052355474,2,5,1,2,guanine riboswitch C74U mutant,2-Amino-6-methoxypurine has the ability to interacts with guanine riboswitch C74U mutant.,19523903,,,,,,"Gilbert SD, Reyes FE, Edwards AL, Batey RT. Adaptive ligand binding by the purine riboswitch in the recognition of guanine and adenine analogs. Structure. 2009 Jun 10;17(6):857-68. doi: 10.1016/j.str.2009.04.009. PMID: 19523903; PMCID: PMC2721690.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19523903/,,,,,,65275,No,No,,,,
DBoRL903,2-Fluoroadenine,2-fluoro-7H-purin-6-amine,Nc1nc(F)nc2nc[nH]c12,"InChI=1S/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)",WKMPTBDYDNUJLF-UHFFFAOYSA-N,C5H4FN5,700-49-2,153.12,0.047490867,2,4,0,2,Guanine riboswitch C74U,2-fluoroadenine (2FA) also binds with Guanine-responsive RNA using weak halogen bonds. ,19523903,,,,,,"Gilbert SD, Reyes FE, Edwards AL, Batey RT. Adaptive ligand binding by the purine riboswitch in the recognition of guanine and adenine analogs. Structure. 2009 Jun 10;17(6):857-68. doi: 10.1016/j.str.2009.04.009. PMID: 19523903; PMCID: PMC2721690.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19523903/,,,,,,12790,No,No,,,,
DBoRL904,2-aminopurine,7H-purin-2-amine,Nc1ncc2[nH]cnc2n1,"InChI=1S/C5H5N5/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H3,6,7,8,9,10)",MWBWWFOAEOYUST-UHFFFAOYSA-N,C5H5N5,"452-06-2,191236-69-8,849611-62-7",135.13,-0.489141739,2,4,0,2,"Adenine Riboswitch, Guanine Riboswitch.","This compound is a guanine or adenine analogue which is used to recognise adaptive ligand binding by the purine riboswitch. Binding of these purines is often facilitated by either small structural changes in the RNA or tautomeric changes in the ligand. Along with base pairing, conformational restriction of Y74 (a single pyrimidine that forms a Watson-Crick base pair with the ligand) significantly contributes to nucleobase selectivity. So, it can be concluded that the compounds that exploit the inherent local flexibility within riboswitch binding pockets can alter their ligand specificity.",19523903,,,,,,"Gilbert SD, Reyes FE, Edwards AL, Batey RT. Adaptive ligand binding by the purine riboswitch in the recognition of guanine and adenine analogs. Structure. 2009 Jun 10;17(6):857-68. doi: 10.1016/j.str.2009.04.009. PMID: 19523903; PMCID: PMC2721690.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19523903/,,,,,,9955,No,No,,,,
DBoRL905,2-Amino-6-chloropurine,6-chloro-7H-purin-2-amine,Nc1nc(Cl)c2[nH]cnc2n1,"InChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)",RYYIULNRIVUMTQ-UHFFFAOYSA-N,C5H4ClN5,"10310-21-1,133762-81-9",169.57,0.335080115,2,4,0,2,Guanine riboswitch,"This compound is a purine analogue derivative which is used to recognise adaptive ligand binding by the purine riboswitch. Binding of these purines is often facilitated by either small structural changes in the RNA or tautomeric changes in the ligand. Along with base pairing, conformational restriction of Y74 (a single pyrimidine that forms a Watson-Crick base pair with the ligand) significantly contributes to nucleobase selectivity. So, it can be concluded that the compounds that exploit the inherent local flexibility within riboswitch binding pockets can alter their ligand specificity.",19523903,,,,,,"Gilbert SD, Reyes FE, Edwards AL, Batey RT. Adaptive ligand binding by the purine riboswitch in the recognition of guanine and adenine analogs. Structure. 2009 Jun 10;17(6):857-68. doi: 10.1016/j.str.2009.04.009. PMID: 19523903; PMCID: PMC2721690.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19523903/,,,,,,5360349,No,No,,,,
DBoRL906,Compound 5H-4,,CCCN(CC(=O)NCc1cn(CCNC(=O)CCCOc2ccc(-c3nc4cc(-c5nc6cc(N7CCN(C)CC7)ccc6[nH]5)ccc4[nH]3)cc2)nn1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(Cc1cn(CCNC(=O)CCCOc2ccc(-c3nc4cc(-c5nc6cc(N7CCN(C)CC7)ccc6[nH]5)ccc4[nH]3)cc2)nn1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(C=O)CCCC(CNC[n+]1ccn(CCCNC(=O)CCCOc2ccc(-c3nc4cc(-c5nc6cc(N7CCN(C)CC7)ccc6[nH]5)ccc4[nH]3)cc2)n1)C(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(N)=O)Cc1cn(CCCNC(=O)CCCOc2ccc(-c3nc4cc(-c5nc6cc(N7CCN(C)CC7)ccc6[nH]5)ccc4[nH]3)cc2)nn1)Cc1cn(CCNC(=O)CCCOc2ccc(-c3nc4cc(-c5nc6cc(N7CCN(C)CC7)ccc6[nH]5)ccc4[nH]3)cc2)nn1,"InChI=1/C262H346N72O31/c1-21-95-311(163-234(342)270-154-194-158-331(295-291-194)113-92-267-231(339)47-39-140-363-205-74-54-185(55-75-205)254-273-210-82-62-190(145-220(210)283-254)259-278-215-87-67-200(150-225(215)288-259)308-130-120-302(18)121-131-308)236(344)165-313(97-23-3)238(346)167-315(99-25-5)241(349)173-320(104-30-10)247(355)179-327(156-196-160-332(297-293-196)114-93-268-232(340)48-40-141-364-206-76-56-186(57-77-206)255-274-211-83-63-191(146-221(211)284-255)260-279-216-88-68-201(151-226(216)289-260)309-132-122-303(19)123-133-309)250(358)176-323(107-33-13)244(352)170-314(98-24-4)237(345)166-312(96-22-2)235(343)164-305(182-335)110-36-44-193(153-264-181-334-137-136-329(299-334)111-42-90-265-229(337)45-37-138-361-203-70-50-183(51-71-203)252-271-208-80-60-188(143-218(208)281-252)257-276-213-85-65-198(148-223(213)286-257)306-126-116-300(16)117-127-306)262(360)325(109-35-15)178-246(354)319(103-29-9)172-240(348)318(102-28-8)171-245(353)324(108-34-14)177-251(359)328(157-197-161-333(298-294-197)115-94-269-233(341)49-41-142-365-207-78-58-187(59-79-207)256-275-212-84-64-192(147-222(212)285-256)261-280-217-89-69-202(152-227(217)290-261)310-134-124-304(20)125-135-310)180-248(356)321(105-31-11)174-242(350)316(100-26-6)168-239(347)317(101-27-7)169-243(351)322(106-32-12)175-249(357)326(162-228(263)336)155-195-159-330(296-292-195)112-43-91-266-230(338)46-38-139-362-204-72-52-184(53-73-204)253-272-209-81-61-189(144-219(209)282-253)258-277-214-86-66-199(149-224(214)287-258)307-128-118-301(17)119-129-307/h50-89,136-137,143-152,158-161,182,193,264,299H,21-49,90-135,138-142,153-157,162-181H2,1-20H3,(H16,263,265,266,267,268,269,270,271,272,273,274,275,276,277,278,279,280,281,282,283,284,285,286,287,288,289,290,291,292,293,294,295,296,297,298,336,337,338,339,340,341,342)/p+1",MIFYIAOMPBLASP-UHFFFAOYNA-O,C262H347N72O31,Not Found,5001.13,10.00802533,18,61,142,35,triplet repeating transcripts (CUG),Compound 5H-4 is a high affinity ligand that binds to expanded rCUG- and rCAG-repeat RNAs expressed in myotonic dystrophy and spinocerebellar ataxia. This way the ligand inhibits the formation of RNA-protein complexes that are implicated in both disorders.,19552411,,,,,,"Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,,Not Found,No,No,,,,
DBoRL907,Meta-(N-(3-azidopropyl)-4-hydroxybutanamide)-Hoechst,"1-{3-[4-(4-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}triaza-1,2-dien-2-ium",CN1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccc(OCCCC(=O)NCCCN=[N+]=N)cc6)nc5c4)nc3c2)CC1,"InChI=1S/C32H36N10O2/c1-41-15-17-42(18-16-41)24-8-12-27-29(21-24)39-32(37-27)23-7-11-26-28(20-23)38-31(36-26)22-5-9-25(10-6-22)44-19-2-4-30(43)34-13-3-14-35-40-33/h5-12,20-21H,2-4,13-19H2,1H3,(H3,33,34,35,43)/p+1",CSGISWHAOLLNMJ-UHFFFAOYSA-O,C32H37N10O2,Not Found,593.715,4.003387712,4,8,12,6,triplet repeating transcripts (CUG),Meta-(N-(3-azidopropyl)-4-hydroxybutanamide)-Hoechst is a high affinity ligand that binds to expanded rCUG- and rCAG-repeat RNAs expressed in myotonic dystrophy and spinocerebellar ataxia. This way the ligand inhibits the formation of RNA-protein complexes that are implicated in both disorders.,19552411,,,,,,"Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,,Not Found,No,No,,,,
DBoRL908,Meta-(N-(3-azidopropyl)-4-hydroxybutanamide)-Hoechst (2),"1-{3-[4-(4-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC2=C(NC(=N2)C2=CC3=C(NC(=N3)C3=CC=C(OCCCC(=O)NCCCN=[N+]=N)C=C3)C=C2)C=C1,"InChI=1S/C32H36N10O2/c1-41-15-17-42(18-16-41)24-8-12-27-29(21-24)39-32(37-27)23-7-11-26-28(20-23)38-31(36-26)22-5-9-25(10-6-22)44-19-2-4-30(43)34-13-3-14-35-40-33/h5-12,20-21H,2-4,13-19H2,1H3,(H3,33,34,35,43)/p+1",CSGISWHAOLLNMJ-UHFFFAOYSA-O,C32H37N10O2,Not Found,593.715,4.003387712,4,8,12,6,RNA1,The compound work as a ligand which targets triplet repeating transcripts that cause RNA dominant disease.,19552411,,,,,,"Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,,Not Found,No,No,,,,
DBoRL909,Meta-(N-(3-azidopropyl)-4-hydroxybutanamide)-Hoechst (2),"1-{3-[4-(4-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC2=C(NC(=N2)C2=CC3=C(NC(=N3)C3=CC=C(OCCCC(=O)NCCCN=[N+]=N)C=C3)C=C2)C=C1,"InChI=1S/C32H36N10O2/c1-41-15-17-42(18-16-41)24-8-12-27-29(21-24)39-32(37-27)23-7-11-26-28(20-23)38-31(36-26)22-5-9-25(10-6-22)44-19-2-4-30(43)34-13-3-14-35-40-33/h5-12,20-21H,2-4,13-19H2,1H3,(H3,33,34,35,43)/p+1",CSGISWHAOLLNMJ-UHFFFAOYSA-O,C32H37N10O2,Not Found,593.715,4.003387712,4,8,12,6,RNA2,The compound work as a ligand which targets triplet repeating transcripts that cause RNA dominant disease.,19552411,,,,,,"Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,,Not Found,No,No,,,,
DBoRL910,Meta-(N-(3-azidopropyl)-4-hydroxybutanamide)-Hoechst (2),"1-{3-[4-(4-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC2=C(NC(=N2)C2=CC3=C(NC(=N3)C3=CC=C(OCCCC(=O)NCCCN=[N+]=N)C=C3)C=C2)C=C1,"InChI=1S/C32H36N10O2/c1-41-15-17-42(18-16-41)24-8-12-27-29(21-24)39-32(37-27)23-7-11-26-28(20-23)38-31(36-26)22-5-9-25(10-6-22)44-19-2-4-30(43)34-13-3-14-35-40-33/h5-12,20-21H,2-4,13-19H2,1H3,(H3,33,34,35,43)/p+1",CSGISWHAOLLNMJ-UHFFFAOYSA-O,C32H37N10O2,Not Found,593.715,4.003387712,4,8,12,6,RNA3,The compound work as a ligand which targets triplet repeating transcripts that cause RNA dominant disease.,19552411,,,,,,"Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,,Not Found,No,No,,,,
DBoRL911,Meta-(N-(3-azidopropyl)-4-hydroxybutanamide)-Hoechst (2),"1-{3-[4-(4-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC2=C(NC(=N2)C2=CC3=C(NC(=N3)C3=CC=C(OCCCC(=O)NCCCN=[N+]=N)C=C3)C=C2)C=C1,"InChI=1S/C32H36N10O2/c1-41-15-17-42(18-16-41)24-8-12-27-29(21-24)39-32(37-27)23-7-11-26-28(20-23)38-31(36-26)22-5-9-25(10-6-22)44-19-2-4-30(43)34-13-3-14-35-40-33/h5-12,20-21H,2-4,13-19H2,1H3,(H3,33,34,35,43)/p+1",CSGISWHAOLLNMJ-UHFFFAOYSA-O,C32H37N10O2,Not Found,593.715,4.003387712,4,8,12,6,RNA4,The compound work as a ligand which targets triplet repeating transcripts that cause RNA dominant disease.,19552411,,,,,,"Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,,Not Found,No,No,,,,
DBoRL912,Meta-(N-(3-azidopropyl)-4-hydroxybutanamide)-Hoechst (2),"1-{3-[4-(4-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC2=C(NC(=N2)C2=CC3=C(NC(=N3)C3=CC=C(OCCCC(=O)NCCCN=[N+]=N)C=C3)C=C2)C=C1,"InChI=1S/C32H36N10O2/c1-41-15-17-42(18-16-41)24-8-12-27-29(21-24)39-32(37-27)23-7-11-26-28(20-23)38-31(36-26)22-5-9-25(10-6-22)44-19-2-4-30(43)34-13-3-14-35-40-33/h5-12,20-21H,2-4,13-19H2,1H3,(H3,33,34,35,43)/p+1",CSGISWHAOLLNMJ-UHFFFAOYSA-O,C32H37N10O2,Not Found,593.715,4.003387712,4,8,12,6,RNA5,The compound work as a ligand which targets triplet repeating transcripts that cause RNA dominant disease.,19552411,,,,,,"Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,,Not Found,No,No,,,,
DBoRL913,Meta-(N-(3-azidopropyl)-4-hydroxybutanamide)-Hoechst (2),"1-{3-[4-(4-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC2=C(NC(=N2)C2=CC3=C(NC(=N3)C3=CC=C(OCCCC(=O)NCCCN=[N+]=N)C=C3)C=C2)C=C1,"InChI=1S/C32H36N10O2/c1-41-15-17-42(18-16-41)24-8-12-27-29(21-24)39-32(37-27)23-7-11-26-28(20-23)38-31(36-26)22-5-9-25(10-6-22)44-19-2-4-30(43)34-13-3-14-35-40-33/h5-12,20-21H,2-4,13-19H2,1H3,(H3,33,34,35,43)/p+1",CSGISWHAOLLNMJ-UHFFFAOYSA-O,C32H37N10O2,Not Found,593.715,4.003387712,4,8,12,6,RNA6,The compound work as a ligand which targets triplet repeating transcripts that cause RNA dominant disease.,19552411,,,,,,"Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,,Not Found,No,No,,,,
DBoRL914,Meta-(N-(3-azidopropyl)-4-hydroxybutanamide)-Hoechst (2),"1-{3-[4-(4-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC2=C(NC(=N2)C2=CC3=C(NC(=N3)C3=CC=C(OCCCC(=O)NCCCN=[N+]=N)C=C3)C=C2)C=C1,"InChI=1S/C32H36N10O2/c1-41-15-17-42(18-16-41)24-8-12-27-29(21-24)39-32(37-27)23-7-11-26-28(20-23)38-31(36-26)22-5-9-25(10-6-22)44-19-2-4-30(43)34-13-3-14-35-40-33/h5-12,20-21H,2-4,13-19H2,1H3,(H3,33,34,35,43)/p+1",CSGISWHAOLLNMJ-UHFFFAOYSA-O,C32H37N10O2,Not Found,593.715,4.003387712,4,8,12,6,RNA7,The compound work as a ligand which targets triplet repeating transcripts that cause RNA dominant disease.,19552411,,,,,,"Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,,Not Found,No,No,,,,
DBoRL915,Meta-(N-(3-azidopropyl)-4-hydroxybutanamide)-Hoechst (2),"1-{3-[4-(4-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC2=C(NC(=N2)C2=CC3=C(NC(=N3)C3=CC=C(OCCCC(=O)NCCCN=[N+]=N)C=C3)C=C2)C=C1,"InChI=1S/C32H36N10O2/c1-41-15-17-42(18-16-41)24-8-12-27-29(21-24)39-32(37-27)23-7-11-26-28(20-23)38-31(36-26)22-5-9-25(10-6-22)44-19-2-4-30(43)34-13-3-14-35-40-33/h5-12,20-21H,2-4,13-19H2,1H3,(H3,33,34,35,43)/p+1",CSGISWHAOLLNMJ-UHFFFAOYSA-O,C32H37N10O2,Not Found,593.715,4.003387712,4,8,12,6,RNA8,The compound work as a ligand which targets triplet repeating transcripts that cause RNA dominant disease.,19552411,,,,,,"Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,,Not Found,No,No,,,,
DBoRL916,Meta-(N-(3-azidopropyl)-4-hydroxybutanamide)-Hoechst (2),"1-{3-[4-(4-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC2=C(NC(=N2)C2=CC3=C(NC(=N3)C3=CC=C(OCCCC(=O)NCCCN=[N+]=N)C=C3)C=C2)C=C1,"InChI=1S/C32H36N10O2/c1-41-15-17-42(18-16-41)24-8-12-27-29(21-24)39-32(37-27)23-7-11-26-28(20-23)38-31(36-26)22-5-9-25(10-6-22)44-19-2-4-30(43)34-13-3-14-35-40-33/h5-12,20-21H,2-4,13-19H2,1H3,(H3,33,34,35,43)/p+1",CSGISWHAOLLNMJ-UHFFFAOYSA-O,C32H37N10O2,Not Found,593.715,4.003387712,4,8,12,6,RNA9,The compound work as a ligand which targets triplet repeating transcripts that cause RNA dominant disease.,19552411,,,,,,"Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,,Not Found,No,No,,,,
DBoRL917,Meta-(N-(3-azidopropyl)-4-hydroxybutanamide)-Hoechst (2),"1-{3-[4-(4-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC2=C(NC(=N2)C2=CC3=C(NC(=N3)C3=CC=C(OCCCC(=O)NCCCN=[N+]=N)C=C3)C=C2)C=C1,"InChI=1S/C32H36N10O2/c1-41-15-17-42(18-16-41)24-8-12-27-29(21-24)39-32(37-27)23-7-11-26-28(20-23)38-31(36-26)22-5-9-25(10-6-22)44-19-2-4-30(43)34-13-3-14-35-40-33/h5-12,20-21H,2-4,13-19H2,1H3,(H3,33,34,35,43)/p+1",CSGISWHAOLLNMJ-UHFFFAOYSA-O,C32H37N10O2,Not Found,593.715,4.003387712,4,8,12,6,RNA10,The compound work as a ligand which targets triplet repeating transcripts that cause RNA dominant disease.,19552411,,,,,,"Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,,Not Found,No,No,,,,
DBoRL918,Meta-(N-(3-azidopropyl)-4-hydroxybutanamide)-Hoechst (2),"1-{3-[4-(4-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC2=C(NC(=N2)C2=CC3=C(NC(=N3)C3=CC=C(OCCCC(=O)NCCCN=[N+]=N)C=C3)C=C2)C=C1,"InChI=1S/C32H36N10O2/c1-41-15-17-42(18-16-41)24-8-12-27-29(21-24)39-32(37-27)23-7-11-26-28(20-23)38-31(36-26)22-5-9-25(10-6-22)44-19-2-4-30(43)34-13-3-14-35-40-33/h5-12,20-21H,2-4,13-19H2,1H3,(H3,33,34,35,43)/p+1",CSGISWHAOLLNMJ-UHFFFAOYSA-O,C32H37N10O2,Not Found,593.715,4.003387712,4,8,12,6,r(CUG)109,The compound work as a ligand which targets triplet repeating transcripts that cause RNA dominant disease.,19552411,,,,,,"Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,,Not Found,No,No,,,,
DBoRL919,Compound 2H-4,"3-({[({[({[({[(carbamoylmethyl)[(1-{3-[4-(4-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}-1H-1,2,3-triazol-4-yl)methyl]carbamoyl]methyl}(propyl)carbamoyl)methyl](propyl)carbamoyl}methyl)(propyl)carbamoyl]methyl}(propyl)carbamoyl)methyl]amino}methyl)-1-{3-[4-(4-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(N)=O)CC1=CN(CCCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C(=O)CNC[N+]1=NN(CCCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)C=C1,"InChI=1S/C94H121N27O10/c1-7-35-114(86(125)57-96-65-121-50-49-119(109-121)39-13-33-97-84(123)15-11-51-130-73-25-17-66(18-26-73)91-99-75-29-21-68(53-79(75)103-91)93-101-77-31-23-71(55-81(77)105-93)112-45-41-110(5)42-46-112)61-87(126)115(36-8-2)62-88(127)116(37-9-3)63-89(128)117(38-10-4)64-90(129)118(60-83(95)122)58-70-59-120(108-107-70)40-14-34-98-85(124)16-12-52-131-74-27-19-67(20-28-74)92-100-76-30-22-69(54-80(76)104-92)94-102-78-32-24-72(56-82(78)106-94)113-47-43-111(6)44-48-113/h17-32,49-50,53-56,59,96,109H,7-16,33-48,51-52,57-58,60-65H2,1-6H3,(H6,95,97,98,99,100,101,102,103,104,105,106,107,108,122,123,124)/p+1",GAWMJMKULNKKOZ-UHFFFAOYSA-O,C94H122N27O10,Not Found,1790.19,2.298398586,8,22,48,14,r(CUG)109,The compound work as a ligand which targets triplet repeating transcripts that cause RNA dominant disease.,19552411,,,,,,"Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,,Not Found,No,No,,,,
DBoRL920,Compound  3H-4,"3-[({2-[({[({[({[({[({[({[(carbamoylmethyl)[(1-{3-[4-(4-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}-1H-1,2,3-triazol-4-yl)methyl]carbamoyl]methyl}(propyl)carbamoyl)methyl](propyl)carbamoyl}methyl)(propyl)carbamoyl]methyl}(propyl)carbamoyl)methyl](1-{2-[4-(4-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]ethyl}-1H-1,2,3-triazol-4-yl)carbamoyl}methyl)(propyl)carbamoyl]methyl}(propyl)carbamoyl)methyl](propyl)carbamoyl}methyl)(propyl)carbamoyl]ethyl}amino)methyl]-1-{3-[4-(4-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(N)=O)CC1=CN(CCCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C(=O)CCNC[N+]1=NN(CCCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)C=C1,"InChI=1S/C150H196N42O17/c1-12-57-179(135(197)52-55-152-104-191-81-80-188(172-191)65-23-53-153-132(194)25-20-82-207-115-40-28-105(29-41-115)145-156-118-46-34-108(85-124(118)162-145)148-159-121-49-37-112(88-127(121)165-148)176-74-68-173(9)69-75-176)95-136(198)180(58-13-2)96-137(199)183(61-16-5)99-141(203)186(64-19-8)102-144(206)192(131-94-190(171-169-131)67-56-155-134(196)27-22-84-209-117-44-32-107(33-45-117)147-158-120-48-36-110(87-126(120)164-147)150-161-123-51-39-114(90-129(123)167-150)178-78-72-175(11)73-79-178)103-143(205)185(63-18-7)100-140(202)182(60-15-4)97-138(200)181(59-14-3)98-139(201)184(62-17-6)101-142(204)187(93-130(151)193)91-111-92-189(170-168-111)66-24-54-154-133(195)26-21-83-208-116-42-30-106(31-43-116)146-157-119-47-35-109(86-125(119)163-146)149-160-122-50-38-113(89-128(122)166-149)177-76-70-174(10)71-77-177/h28-51,80-81,85-90,92,94,152,172H,12-27,52-79,82-84,91,93,95-104H2,1-11H3,(H9,151,153,154,155,156,157,158,159,160,161,162,163,164,165,166,167,168,169,170,171,193,194,195,196)/p+1",CSYJLDJCBLKRPT-UHFFFAOYSA-O,C150H197N42O17,Not Found,2860.5,5.585757657,11,35,79,21,r(CUG)109,The compound work as a ligand which targets triplet repeating transcripts that cause RNA dominant disease.,19552411,,,,,,"Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,,Not Found,No,No,,,,
DBoRL921,Compound 4H-4,"3-[({2-[({[({[({[({[({[({[(carbamoylmethyl)[(1-{3-[4-(4-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}-1H-1,2,3-triazol-4-yl)methyl]carbamoyl]methyl}(propyl)carbamoyl)methyl](propyl)carbamoyl}methyl)(propyl)carbamoyl]methyl}(propyl)carbamoyl)methyl](1-{2-[4-(4-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]ethyl}-1H-1,2,3-triazol-4-yl)carbamoyl}methyl)(propyl)carbamoyl]methyl}(propyl)carbamoyl)methyl](propyl)carbamoyl}methyl)(propyl)carbamoyl]-2-[3-(N-{[({[({[(1-{2-[4-(4-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]ethyl}-1H-1,2,3-triazol-4-yl)carbamoyl]methyl}(propyl)carbamoyl)methyl](propyl)carbamoyl}methyl)(propyl)carbamoyl]methyl}formamido)propyl]ethyl}amino)methyl]-1-{3-[4-(4-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)NC1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCCC(CNC[N+]1=NN(CCCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)C=C1)C(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(N)=O)CC1=CN(CCCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C=O,"InChI=1/C204H267N57O24/c1-16-75-244(127-183(268)227-177-125-258(232-229-177)89-73-209-181(266)37-30-111-284-158-59-43-144(44-60-158)198-213-162-65-49-148(115-170(162)221-198)202-217-166-69-53-154(119-174(166)225-202)242-103-95-237(14)96-104-242)185(270)129-246(77-18-3)186(271)130-245(76-17-2)184(269)128-239(141-262)86-27-34-150(121-206-140-260-108-107-256(234-260)87-32-71-207-179(264)35-28-109-282-156-55-39-142(40-56-156)196-211-160-63-47-146(113-168(160)219-196)200-215-164-67-51-152(117-172(164)223-200)240-99-91-235(12)92-100-240)204(281)254(85-26-11)137-192(277)250(81-22-7)133-188(273)249(80-21-6)134-191(276)253(84-25-10)138-195(280)261(178-126-259(233-230-178)90-74-210-182(267)38-31-112-285-159-61-45-145(46-62-159)199-214-163-66-50-149(116-171(163)222-199)203-218-167-70-54-155(120-175(167)226-203)243-105-97-238(15)98-106-243)139-194(279)252(83-24-9)135-190(275)248(79-20-5)131-187(272)247(78-19-4)132-189(274)251(82-23-8)136-193(278)255(124-176(205)263)122-151-123-257(231-228-151)88-33-72-208-180(265)36-29-110-283-157-57-41-143(42-58-157)197-212-161-64-48-147(114-169(161)220-197)201-216-165-68-52-153(118-173(165)224-201)241-101-93-236(13)94-102-241/h39-70,107-108,113-120,123,125-126,141,150,206,234H,16-38,71-106,109-112,121-122,124,127-140H2,1-15H3,(H13,205,207,208,209,210,211,212,213,214,215,216,217,218,219,220,221,222,223,224,225,226,227,228,229,230,231,232,233,263,264,265,266,267,268)/p+1",DSRKBYKVCLJGHE-UHFFFAOYNA-O,C204H268N57O24,Not Found,3902.76,8.656701903,15,48,109,28,r(CUG)109,The compound work as a ligand which targets triplet repeating transcripts that cause RNA dominant disease.,19552411,,,,,,"Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,,Not Found,No,No,,,,
DBoRL922,Compound 5H-4,,CCCN(CC(=O)NCC1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CC1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCCC(CNC[N+]1=NN(CCCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)C=C1)C(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(N)=O)CC1=CN(CCCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)CC1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C=O,"InChI=1/C262H346N72O31/c1-21-95-311(163-234(342)270-154-194-158-331(295-291-194)113-92-267-231(339)47-39-140-363-205-74-54-185(55-75-205)254-273-210-82-62-190(145-220(210)283-254)259-278-215-87-67-200(150-225(215)288-259)308-130-120-302(18)121-131-308)236(344)165-313(97-23-3)238(346)167-315(99-25-5)241(349)173-320(104-30-10)247(355)179-327(156-196-160-332(297-293-196)114-93-268-232(340)48-40-141-364-206-76-56-186(57-77-206)255-274-211-83-63-191(146-221(211)284-255)260-279-216-88-68-201(151-226(216)289-260)309-132-122-303(19)123-133-309)250(358)176-323(107-33-13)244(352)170-314(98-24-4)237(345)166-312(96-22-2)235(343)164-305(182-335)110-36-44-193(153-264-181-334-137-136-329(299-334)111-42-90-265-229(337)45-37-138-361-203-70-50-183(51-71-203)252-271-208-80-60-188(143-218(208)281-252)257-276-213-85-65-198(148-223(213)286-257)306-126-116-300(16)117-127-306)262(360)325(109-35-15)178-246(354)319(103-29-9)172-240(348)318(102-28-8)171-245(353)324(108-34-14)177-251(359)328(157-197-161-333(298-294-197)115-94-269-233(341)49-41-142-365-207-78-58-187(59-79-207)256-275-212-84-64-192(147-222(212)285-256)261-280-217-89-69-202(152-227(217)290-261)310-134-124-304(20)125-135-310)180-248(356)321(105-31-11)174-242(350)316(100-26-6)168-239(347)317(101-27-7)169-243(351)322(106-32-12)175-249(357)326(162-228(263)336)155-195-159-330(296-292-195)112-43-91-266-230(338)46-38-139-362-204-72-52-184(53-73-204)253-272-209-81-61-189(144-219(209)282-253)258-277-214-86-66-199(149-224(214)287-258)307-128-118-301(17)119-129-307/h50-89,136-137,143-152,158-161,182,193,264,299H,21-49,90-135,138-142,153-157,162-181H2,1-20H3,(H16,263,265,266,267,268,269,270,271,272,273,274,275,276,277,278,279,280,281,282,283,284,285,286,287,288,289,290,291,292,293,294,295,296,297,298,336,337,338,339,340,341,342)/p+1",MIFYIAOMPBLASP-UHFFFAOYNA-O,C262H347N72O31,Not Found,5001.13,10.00802533,18,61,142,35,r(CUG)109,The compound work as a ligand which targets triplet repeating transcripts that cause RNA dominant disease.,19552411,,,,,,"Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,,Not Found,No,No,,,,
DBoRL923,Compound 5H-4,,CCCN(CC(=O)NCC1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CC1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCCC(CNC[N+]1=NN(CCCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)C=C1)C(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(N)=O)CC1=CN(CCCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)CC1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C=O,"InChI=1/C262H346N72O31/c1-21-95-311(163-234(342)270-154-194-158-331(295-291-194)113-92-267-231(339)47-39-140-363-205-74-54-185(55-75-205)254-273-210-82-62-190(145-220(210)283-254)259-278-215-87-67-200(150-225(215)288-259)308-130-120-302(18)121-131-308)236(344)165-313(97-23-3)238(346)167-315(99-25-5)241(349)173-320(104-30-10)247(355)179-327(156-196-160-332(297-293-196)114-93-268-232(340)48-40-141-364-206-76-56-186(57-77-206)255-274-211-83-63-191(146-221(211)284-255)260-279-216-88-68-201(151-226(216)289-260)309-132-122-303(19)123-133-309)250(358)176-323(107-33-13)244(352)170-314(98-24-4)237(345)166-312(96-22-2)235(343)164-305(182-335)110-36-44-193(153-264-181-334-137-136-329(299-334)111-42-90-265-229(337)45-37-138-361-203-70-50-183(51-71-203)252-271-208-80-60-188(143-218(208)281-252)257-276-213-85-65-198(148-223(213)286-257)306-126-116-300(16)117-127-306)262(360)325(109-35-15)178-246(354)319(103-29-9)172-240(348)318(102-28-8)171-245(353)324(108-34-14)177-251(359)328(157-197-161-333(298-294-197)115-94-269-233(341)49-41-142-365-207-78-58-187(59-79-207)256-275-212-84-64-192(147-222(212)285-256)261-280-217-89-69-202(152-227(217)290-261)310-134-124-304(20)125-135-310)180-248(356)321(105-31-11)174-242(350)316(100-26-6)168-239(347)317(101-27-7)169-243(351)322(106-32-12)175-249(357)326(162-228(263)336)155-195-159-330(296-292-195)112-43-91-266-230(338)46-38-139-362-204-72-52-184(53-73-204)253-272-209-81-61-189(144-219(209)282-253)258-277-214-86-66-199(149-224(214)287-258)307-128-118-301(17)119-129-307/h50-89,136-137,143-152,158-161,182,193,264,299H,21-49,90-135,138-142,153-157,162-181H2,1-20H3,(H16,263,265,266,267,268,269,270,271,272,273,274,275,276,277,278,279,280,281,282,283,284,285,286,287,288,289,290,291,292,293,294,295,296,297,298,336,337,338,339,340,341,342)/p+1",MIFYIAOMPBLASP-UHFFFAOYNA-O,C262H347N72O31,Not Found,5001.13,10.00802533,18,61,142,35,Bulk Yeast tRNA,The compound work as a ligand which targets triplet repeating transcripts that cause RNA dominant disease.,19552411,,,,,,"Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,,Not Found,No,No,,,,
DBoRL924,Compound 5H-4,,CCCN(CC(=O)NCC1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CC1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCCC(CNC[N+]1=NN(CCCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)C=C1)C(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(N)=O)CC1=CN(CCCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)CC1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C=O,"InChI=1/C262H346N72O31/c1-21-95-311(163-234(342)270-154-194-158-331(295-291-194)113-92-267-231(339)47-39-140-363-205-74-54-185(55-75-205)254-273-210-82-62-190(145-220(210)283-254)259-278-215-87-67-200(150-225(215)288-259)308-130-120-302(18)121-131-308)236(344)165-313(97-23-3)238(346)167-315(99-25-5)241(349)173-320(104-30-10)247(355)179-327(156-196-160-332(297-293-196)114-93-268-232(340)48-40-141-364-206-76-56-186(57-77-206)255-274-211-83-63-191(146-221(211)284-255)260-279-216-88-68-201(151-226(216)289-260)309-132-122-303(19)123-133-309)250(358)176-323(107-33-13)244(352)170-314(98-24-4)237(345)166-312(96-22-2)235(343)164-305(182-335)110-36-44-193(153-264-181-334-137-136-329(299-334)111-42-90-265-229(337)45-37-138-361-203-70-50-183(51-71-203)252-271-208-80-60-188(143-218(208)281-252)257-276-213-85-65-198(148-223(213)286-257)306-126-116-300(16)117-127-306)262(360)325(109-35-15)178-246(354)319(103-29-9)172-240(348)318(102-28-8)171-245(353)324(108-34-14)177-251(359)328(157-197-161-333(298-294-197)115-94-269-233(341)49-41-142-365-207-78-58-187(59-79-207)256-275-212-84-64-192(147-222(212)285-256)261-280-217-89-69-202(152-227(217)290-261)310-134-124-304(20)125-135-310)180-248(356)321(105-31-11)174-242(350)316(100-26-6)168-239(347)317(101-27-7)169-243(351)322(106-32-12)175-249(357)326(162-228(263)336)155-195-159-330(296-292-195)112-43-91-266-230(338)46-38-139-362-204-72-52-184(53-73-204)253-272-209-81-61-189(144-219(209)282-253)258-277-214-86-66-199(149-224(214)287-258)307-128-118-301(17)119-129-307/h50-89,136-137,143-152,158-161,182,193,264,299H,21-49,90-135,138-142,153-157,162-181H2,1-20H3,(H16,263,265,266,267,268,269,270,271,272,273,274,275,276,277,278,279,280,281,282,283,284,285,286,287,288,289,290,291,292,293,294,295,296,297,298,336,337,338,339,340,341,342)/p+1",MIFYIAOMPBLASP-UHFFFAOYNA-O,C262H347N72O31,Not Found,5001.13,10.00802533,18,61,142,35,RNA11,The compound work as a ligand which targets triplet repeating transcripts that cause RNA dominant disease.,19552411,,,,,,"Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,,Not Found,No,No,,,,
DBoRL925,Compound 5H-4,,CCCN(CC(=O)NCC1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CC1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCCC(CNC[N+]1=NN(CCCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)C=C1)C(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(N)=O)CC1=CN(CCCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)CC1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C=O,"InChI=1/C262H346N72O31/c1-21-95-311(163-234(342)270-154-194-158-331(295-291-194)113-92-267-231(339)47-39-140-363-205-74-54-185(55-75-205)254-273-210-82-62-190(145-220(210)283-254)259-278-215-87-67-200(150-225(215)288-259)308-130-120-302(18)121-131-308)236(344)165-313(97-23-3)238(346)167-315(99-25-5)241(349)173-320(104-30-10)247(355)179-327(156-196-160-332(297-293-196)114-93-268-232(340)48-40-141-364-206-76-56-186(57-77-206)255-274-211-83-63-191(146-221(211)284-255)260-279-216-88-68-201(151-226(216)289-260)309-132-122-303(19)123-133-309)250(358)176-323(107-33-13)244(352)170-314(98-24-4)237(345)166-312(96-22-2)235(343)164-305(182-335)110-36-44-193(153-264-181-334-137-136-329(299-334)111-42-90-265-229(337)45-37-138-361-203-70-50-183(51-71-203)252-271-208-80-60-188(143-218(208)281-252)257-276-213-85-65-198(148-223(213)286-257)306-126-116-300(16)117-127-306)262(360)325(109-35-15)178-246(354)319(103-29-9)172-240(348)318(102-28-8)171-245(353)324(108-34-14)177-251(359)328(157-197-161-333(298-294-197)115-94-269-233(341)49-41-142-365-207-78-58-187(59-79-207)256-275-212-84-64-192(147-222(212)285-256)261-280-217-89-69-202(152-227(217)290-261)310-134-124-304(20)125-135-310)180-248(356)321(105-31-11)174-242(350)316(100-26-6)168-239(347)317(101-27-7)169-243(351)322(106-32-12)175-249(357)326(162-228(263)336)155-195-159-330(296-292-195)112-43-91-266-230(338)46-38-139-362-204-72-52-184(53-73-204)253-272-209-81-61-189(144-219(209)282-253)258-277-214-86-66-199(149-224(214)287-258)307-128-118-301(17)119-129-307/h50-89,136-137,143-152,158-161,182,193,264,299H,21-49,90-135,138-142,153-157,162-181H2,1-20H3,(H16,263,265,266,267,268,269,270,271,272,273,274,275,276,277,278,279,280,281,282,283,284,285,286,287,288,289,290,291,292,293,294,295,296,297,298,336,337,338,339,340,341,342)/p+1",MIFYIAOMPBLASP-UHFFFAOYNA-O,C262H347N72O31,Not Found,5001.13,10.00802533,18,61,142,35,RNA12,The compound work as a ligand which targets triplet repeating transcripts that cause RNA dominant disease.,19552411,,,,,,"Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,,Not Found,No,No,,,,
DBoRL926,Compound 5H-4,,CCCN(CC(=O)NCC1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CC1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCCC(CNC[N+]1=NN(CCCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)C=C1)C(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(N)=O)CC1=CN(CCCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)CC1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C=O,"InChI=1/C262H346N72O31/c1-21-95-311(163-234(342)270-154-194-158-331(295-291-194)113-92-267-231(339)47-39-140-363-205-74-54-185(55-75-205)254-273-210-82-62-190(145-220(210)283-254)259-278-215-87-67-200(150-225(215)288-259)308-130-120-302(18)121-131-308)236(344)165-313(97-23-3)238(346)167-315(99-25-5)241(349)173-320(104-30-10)247(355)179-327(156-196-160-332(297-293-196)114-93-268-232(340)48-40-141-364-206-76-56-186(57-77-206)255-274-211-83-63-191(146-221(211)284-255)260-279-216-88-68-201(151-226(216)289-260)309-132-122-303(19)123-133-309)250(358)176-323(107-33-13)244(352)170-314(98-24-4)237(345)166-312(96-22-2)235(343)164-305(182-335)110-36-44-193(153-264-181-334-137-136-329(299-334)111-42-90-265-229(337)45-37-138-361-203-70-50-183(51-71-203)252-271-208-80-60-188(143-218(208)281-252)257-276-213-85-65-198(148-223(213)286-257)306-126-116-300(16)117-127-306)262(360)325(109-35-15)178-246(354)319(103-29-9)172-240(348)318(102-28-8)171-245(353)324(108-34-14)177-251(359)328(157-197-161-333(298-294-197)115-94-269-233(341)49-41-142-365-207-78-58-187(59-79-207)256-275-212-84-64-192(147-222(212)285-256)261-280-217-89-69-202(152-227(217)290-261)310-134-124-304(20)125-135-310)180-248(356)321(105-31-11)174-242(350)316(100-26-6)168-239(347)317(101-27-7)169-243(351)322(106-32-12)175-249(357)326(162-228(263)336)155-195-159-330(296-292-195)112-43-91-266-230(338)46-38-139-362-204-72-52-184(53-73-204)253-272-209-81-61-189(144-219(209)282-253)258-277-214-86-66-199(149-224(214)287-258)307-128-118-301(17)119-129-307/h50-89,136-137,143-152,158-161,182,193,264,299H,21-49,90-135,138-142,153-157,162-181H2,1-20H3,(H16,263,265,266,267,268,269,270,271,272,273,274,275,276,277,278,279,280,281,282,283,284,285,286,287,288,289,290,291,292,293,294,295,296,297,298,336,337,338,339,340,341,342)/p+1",MIFYIAOMPBLASP-UHFFFAOYNA-O,C262H347N72O31,Not Found,5001.13,10.00802533,18,61,142,35,RNA13,The compound work as a ligand which targets triplet repeating transcripts that cause RNA dominant disease.,19552411,,,,,,"Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,,Not Found,No,No,,,,
DBoRL927,Compound 5H-4,,CCCN(CC(=O)NCC1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CC1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCCC(CNC[N+]1=NN(CCCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)C=C1)C(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(N)=O)CC1=CN(CCCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)CC1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C=O,"InChI=1/C262H346N72O31/c1-21-95-311(163-234(342)270-154-194-158-331(295-291-194)113-92-267-231(339)47-39-140-363-205-74-54-185(55-75-205)254-273-210-82-62-190(145-220(210)283-254)259-278-215-87-67-200(150-225(215)288-259)308-130-120-302(18)121-131-308)236(344)165-313(97-23-3)238(346)167-315(99-25-5)241(349)173-320(104-30-10)247(355)179-327(156-196-160-332(297-293-196)114-93-268-232(340)48-40-141-364-206-76-56-186(57-77-206)255-274-211-83-63-191(146-221(211)284-255)260-279-216-88-68-201(151-226(216)289-260)309-132-122-303(19)123-133-309)250(358)176-323(107-33-13)244(352)170-314(98-24-4)237(345)166-312(96-22-2)235(343)164-305(182-335)110-36-44-193(153-264-181-334-137-136-329(299-334)111-42-90-265-229(337)45-37-138-361-203-70-50-183(51-71-203)252-271-208-80-60-188(143-218(208)281-252)257-276-213-85-65-198(148-223(213)286-257)306-126-116-300(16)117-127-306)262(360)325(109-35-15)178-246(354)319(103-29-9)172-240(348)318(102-28-8)171-245(353)324(108-34-14)177-251(359)328(157-197-161-333(298-294-197)115-94-269-233(341)49-41-142-365-207-78-58-187(59-79-207)256-275-212-84-64-192(147-222(212)285-256)261-280-217-89-69-202(152-227(217)290-261)310-134-124-304(20)125-135-310)180-248(356)321(105-31-11)174-242(350)316(100-26-6)168-239(347)317(101-27-7)169-243(351)322(106-32-12)175-249(357)326(162-228(263)336)155-195-159-330(296-292-195)112-43-91-266-230(338)46-38-139-362-204-72-52-184(53-73-204)253-272-209-81-61-189(144-219(209)282-253)258-277-214-86-66-199(149-224(214)287-258)307-128-118-301(17)119-129-307/h50-89,136-137,143-152,158-161,182,193,264,299H,21-49,90-135,138-142,153-157,162-181H2,1-20H3,(H16,263,265,266,267,268,269,270,271,272,273,274,275,276,277,278,279,280,281,282,283,284,285,286,287,288,289,290,291,292,293,294,295,296,297,298,336,337,338,339,340,341,342)/p+1",MIFYIAOMPBLASP-UHFFFAOYNA-O,C262H347N72O31,Not Found,5001.13,10.00802533,18,61,142,35,RNA14,The compound work as a ligand which targets triplet repeating transcripts that cause RNA dominant disease.,19552411,,,,,,"Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,,Not Found,No,No,,,,
DBoRL928,Compound 5H-4,,CCCN(CC(=O)NCC1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CC1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCCC(CNC[N+]1=NN(CCCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)C=C1)C(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(N)=O)CC1=CN(CCCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)CC1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C=O,"InChI=1/C262H346N72O31/c1-21-95-311(163-234(342)270-154-194-158-331(295-291-194)113-92-267-231(339)47-39-140-363-205-74-54-185(55-75-205)254-273-210-82-62-190(145-220(210)283-254)259-278-215-87-67-200(150-225(215)288-259)308-130-120-302(18)121-131-308)236(344)165-313(97-23-3)238(346)167-315(99-25-5)241(349)173-320(104-30-10)247(355)179-327(156-196-160-332(297-293-196)114-93-268-232(340)48-40-141-364-206-76-56-186(57-77-206)255-274-211-83-63-191(146-221(211)284-255)260-279-216-88-68-201(151-226(216)289-260)309-132-122-303(19)123-133-309)250(358)176-323(107-33-13)244(352)170-314(98-24-4)237(345)166-312(96-22-2)235(343)164-305(182-335)110-36-44-193(153-264-181-334-137-136-329(299-334)111-42-90-265-229(337)45-37-138-361-203-70-50-183(51-71-203)252-271-208-80-60-188(143-218(208)281-252)257-276-213-85-65-198(148-223(213)286-257)306-126-116-300(16)117-127-306)262(360)325(109-35-15)178-246(354)319(103-29-9)172-240(348)318(102-28-8)171-245(353)324(108-34-14)177-251(359)328(157-197-161-333(298-294-197)115-94-269-233(341)49-41-142-365-207-78-58-187(59-79-207)256-275-212-84-64-192(147-222(212)285-256)261-280-217-89-69-202(152-227(217)290-261)310-134-124-304(20)125-135-310)180-248(356)321(105-31-11)174-242(350)316(100-26-6)168-239(347)317(101-27-7)169-243(351)322(106-32-12)175-249(357)326(162-228(263)336)155-195-159-330(296-292-195)112-43-91-266-230(338)46-38-139-362-204-72-52-184(53-73-204)253-272-209-81-61-189(144-219(209)282-253)258-277-214-86-66-199(149-224(214)287-258)307-128-118-301(17)119-129-307/h50-89,136-137,143-152,158-161,182,193,264,299H,21-49,90-135,138-142,153-157,162-181H2,1-20H3,(H16,263,265,266,267,268,269,270,271,272,273,274,275,276,277,278,279,280,281,282,283,284,285,286,287,288,289,290,291,292,293,294,295,296,297,298,336,337,338,339,340,341,342)/p+1",MIFYIAOMPBLASP-UHFFFAOYNA-O,C262H347N72O31,Not Found,5001.13,10.00802533,18,61,142,35,RNA15,The compound work as a ligand which targets triplet repeating transcripts that cause RNA dominant disease.,19552411,,,,,,"Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,,Not Found,No,No,,,,
DBoRL929,Compound 5H-4,,CCCN(CC(=O)NCC1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CC1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCCC(CNC[N+]1=NN(CCCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)C=C1)C(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(N)=O)CC1=CN(CCCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)CC1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C=O,"InChI=1/C262H346N72O31/c1-21-95-311(163-234(342)270-154-194-158-331(295-291-194)113-92-267-231(339)47-39-140-363-205-74-54-185(55-75-205)254-273-210-82-62-190(145-220(210)283-254)259-278-215-87-67-200(150-225(215)288-259)308-130-120-302(18)121-131-308)236(344)165-313(97-23-3)238(346)167-315(99-25-5)241(349)173-320(104-30-10)247(355)179-327(156-196-160-332(297-293-196)114-93-268-232(340)48-40-141-364-206-76-56-186(57-77-206)255-274-211-83-63-191(146-221(211)284-255)260-279-216-88-68-201(151-226(216)289-260)309-132-122-303(19)123-133-309)250(358)176-323(107-33-13)244(352)170-314(98-24-4)237(345)166-312(96-22-2)235(343)164-305(182-335)110-36-44-193(153-264-181-334-137-136-329(299-334)111-42-90-265-229(337)45-37-138-361-203-70-50-183(51-71-203)252-271-208-80-60-188(143-218(208)281-252)257-276-213-85-65-198(148-223(213)286-257)306-126-116-300(16)117-127-306)262(360)325(109-35-15)178-246(354)319(103-29-9)172-240(348)318(102-28-8)171-245(353)324(108-34-14)177-251(359)328(157-197-161-333(298-294-197)115-94-269-233(341)49-41-142-365-207-78-58-187(59-79-207)256-275-212-84-64-192(147-222(212)285-256)261-280-217-89-69-202(152-227(217)290-261)310-134-124-304(20)125-135-310)180-248(356)321(105-31-11)174-242(350)316(100-26-6)168-239(347)317(101-27-7)169-243(351)322(106-32-12)175-249(357)326(162-228(263)336)155-195-159-330(296-292-195)112-43-91-266-230(338)46-38-139-362-204-72-52-184(53-73-204)253-272-209-81-61-189(144-219(209)282-253)258-277-214-86-66-199(149-224(214)287-258)307-128-118-301(17)119-129-307/h50-89,136-137,143-152,158-161,182,193,264,299H,21-49,90-135,138-142,153-157,162-181H2,1-20H3,(H16,263,265,266,267,268,269,270,271,272,273,274,275,276,277,278,279,280,281,282,283,284,285,286,287,288,289,290,291,292,293,294,295,296,297,298,336,337,338,339,340,341,342)/p+1",MIFYIAOMPBLASP-UHFFFAOYNA-O,C262H347N72O31,Not Found,5001.13,10.00802533,18,61,142,35,RNA16,The compound work as a ligand which targets triplet repeating transcripts that cause RNA dominant disease.,19552411,,,,,,"Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,,Not Found,No,No,,,,
DBoRL930,Compound 5H-4,,CCCN(CC(=O)NCC1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CC1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCCC(CNC[N+]1=NN(CCCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)C=C1)C(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(N)=O)CC1=CN(CCCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)CC1=CN(CCNC(=O)CCCOC2=CC=C(C=C2)C2=NC3=C(N2)C=CC(=C3)C2=NC3=C(N2)C=CC(=C3)N2CCN(C)CC2)N=N1)C=O,"InChI=1/C262H346N72O31/c1-21-95-311(163-234(342)270-154-194-158-331(295-291-194)113-92-267-231(339)47-39-140-363-205-74-54-185(55-75-205)254-273-210-82-62-190(145-220(210)283-254)259-278-215-87-67-200(150-225(215)288-259)308-130-120-302(18)121-131-308)236(344)165-313(97-23-3)238(346)167-315(99-25-5)241(349)173-320(104-30-10)247(355)179-327(156-196-160-332(297-293-196)114-93-268-232(340)48-40-141-364-206-76-56-186(57-77-206)255-274-211-83-63-191(146-221(211)284-255)260-279-216-88-68-201(151-226(216)289-260)309-132-122-303(19)123-133-309)250(358)176-323(107-33-13)244(352)170-314(98-24-4)237(345)166-312(96-22-2)235(343)164-305(182-335)110-36-44-193(153-264-181-334-137-136-329(299-334)111-42-90-265-229(337)45-37-138-361-203-70-50-183(51-71-203)252-271-208-80-60-188(143-218(208)281-252)257-276-213-85-65-198(148-223(213)286-257)306-126-116-300(16)117-127-306)262(360)325(109-35-15)178-246(354)319(103-29-9)172-240(348)318(102-28-8)171-245(353)324(108-34-14)177-251(359)328(157-197-161-333(298-294-197)115-94-269-233(341)49-41-142-365-207-78-58-187(59-79-207)256-275-212-84-64-192(147-222(212)285-256)261-280-217-89-69-202(152-227(217)290-261)310-134-124-304(20)125-135-310)180-248(356)321(105-31-11)174-242(350)316(100-26-6)168-239(347)317(101-27-7)169-243(351)322(106-32-12)175-249(357)326(162-228(263)336)155-195-159-330(296-292-195)112-43-91-266-230(338)46-38-139-362-204-72-52-184(53-73-204)253-272-209-81-61-189(144-219(209)282-253)258-277-214-86-66-199(149-224(214)287-258)307-128-118-301(17)119-129-307/h50-89,136-137,143-152,158-161,182,193,264,299H,21-49,90-135,138-142,153-157,162-181H2,1-20H3,(H16,263,265,266,267,268,269,270,271,272,273,274,275,276,277,278,279,280,281,282,283,284,285,286,287,288,289,290,291,292,293,294,295,296,297,298,336,337,338,339,340,341,342)/p+1",MIFYIAOMPBLASP-UHFFFAOYNA-O,C262H347N72O31,Not Found,5001.13,10.00802533,18,61,142,35,RNA17,The compound work as a ligand which targets triplet repeating transcripts that cause RNA dominant disease.,19552411,,,,,,"Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,,Not Found,No,No,,,,
DBoRL931,"(1S,3R,4S,5R,6S,9R,10S)-1,3-Diamino-7-oxaspiro[5.6]dodecane-4,5,9,10-tetrol","3,5-diamino-7-oxaspiro[5.6]dodecane-1,2,9,10-tetrol",NC1CC(N)C2(CCC(O)C(O)CO2)C(O)C1O,"InChI=1/C11H22N2O5/c12-5-3-8(13)11(10(17)9(5)16)2-1-6(14)7(15)4-18-11/h5-10,14-17H,1-4,12-13H2",IQZYORNOCKXPPZ-UHFFFAOYNA-N,C11H22N2O5,Not Found,262.306,-3.593455764,6,7,0,2,bacterial (A-site) in 16S rRNA,"(1S,3R,4S,5R,6S,9R,10S)-1,3-Diamino-7-oxaspiro[5.6]dodecane-4,5,9,10-tetrol, an unnatural rigid scaffold targets and binds with bacterial (A-site) in 16S rRNA and interferes with the protein translation process.",19585638,,,,,,"Katsoulis IA, Pyrkotis C, Papakyriakou A, Kythreoti G, Zografos AL, Mavridis I, Nahmias VR, Anastasopoulou P, Vourloumis D. Unnatural rigid scaffolds targeting the bacterial ribosome. Chembiochem. 2009 Aug 17;10(12):1969-72. doi: 10.1002/cbic.200900268. PMID: 19585638.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19585638/,,,,,,Not Found,No,No,,,,
DBoRL932,Gentamicin,"2-{[4,6-diamino-3-({3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl}oxy)-2-hydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diol",CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CCC3N)[C@H](C)N)C2O)OCC1(C)O,"InChI=1S/C20H41N5O7/c1-8(21)12-5-4-9(22)18(30-12)31-15-10(23)6-11(24)16(13(15)26)32-19-14(27)17(25-3)20(2,28)7-29-19/h8-19,25-28H,4-7,21-24H2,1-3H3/t8-,9?,10?,11?,12?,13?,14?,15?,16?,17?,18?,19?,20?/m0/s1",XUFIWSHGXVLULG-YWGDGLIFSA-N,C20H41N5O7,Not Found,463.576,-3.569735923,8,12,6,3,bacterial (A-site) in 16S rRNA,"This is a synthesised 5,6-Spiroether compound which have the affinities for the binding with Bacterial A Site in 16S rRNA. Binding with bacterial A site results the disruption of protein synthesis.",19585638,,,,,,"Katsoulis IA, Pyrkotis C, Papakyriakou A, Kythreoti G, Zografos AL, Mavridis I, Nahmias VR, Anastasopoulou P, Vourloumis D. Unnatural rigid scaffolds targeting the bacterial ribosome. Chembiochem. 2009 Aug 17;10(12):1969-72. doi: 10.1002/cbic.200900268. PMID: 19585638.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19585638/,,,,,,102552711,Yes,No,Experimental,DB04729,https://go.drugbank.com/drugs/DB04729,This is the isomeric form of the drug approved by USFDA.
DBoRL933,Compound 1,"(3R,4S,6S,7R,8S,9R,11S)-9,11-diamino-1-oxaspiro[5.5]undecane-3,4,7,8-tetrol",N[C@@H]1C[C@H](N)[C@@]2(C[C@H](O)[C@H](O)CO2)[C@H](O)[C@H]1O,"InChI=1S/C10H20N2O5/c11-4-1-7(12)10(9(16)8(4)15)2-5(13)6(14)3-17-10/h4-9,13-16H,1-3,11-12H2/t4-,5+,6-,7+,8+,9-,10+/m1/s1",WKLYSPFGRRAVMM-FZXYNJJMSA-N,C10H20N2O5,Not Found,248.279,-4.110818435,6,7,0,2,bacterial (A-site) in 16S rRNA,"This is a synthesised 5,6-Spiroether compound which have the affinities for the binding with Bacterial A Site in 16S rRNA. Binding with bacterial A site results the disruption of protein synthesis.",19585638,,,,,,"Katsoulis IA, Pyrkotis C, Papakyriakou A, Kythreoti G, Zografos AL, Mavridis I, Nahmias VR, Anastasopoulou P, Vourloumis D. Unnatural rigid scaffolds targeting the bacterial ribosome. Chembiochem. 2009 Aug 17;10(12):1969-72. doi: 10.1002/cbic.200900268. PMID: 19585638.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19585638/,,,,,,53321105,No,No,,,,
DBoRL934,Compound 10a,"(1R,2S,3R,5S,6S,9R,10S)-3,5-diamino-7-oxaspiro[5.6]dodecane-1,2,9,10-tetrol",N[C@@H]1C[C@H](N)[C@@]2(CC[C@H](O)[C@H](O)CO2)[C@H](O)[C@H]1O,"InChI=1S/C11H22N2O5/c12-5-3-8(13)11(10(17)9(5)16)2-1-6(14)7(15)4-18-11/h5-10,14-17H,1-4,12-13H2/t5-,6+,7-,8+,9+,10-,11+/m1/s1",IQZYORNOCKXPPZ-WNWDDGRKSA-N,C11H22N2O5,Not Found,262.306,-3.593455764,6,7,0,2,bacterial (A-site) in 16S rRNA,"This is a synthesised 5,6-Spiroether compound which have the affinities for the binding with Bacterial A Site in 16S rRNA. Binding with bacterial A site results the disruption of protein synthesis.",19585638,,,,,,"Katsoulis IA, Pyrkotis C, Papakyriakou A, Kythreoti G, Zografos AL, Mavridis I, Nahmias VR, Anastasopoulou P, Vourloumis D. Unnatural rigid scaffolds targeting the bacterial ribosome. Chembiochem. 2009 Aug 17;10(12):1969-72. doi: 10.1002/cbic.200900268. PMID: 19585638.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19585638/,,,,,,53326364,No,No,,,,
DBoRL935,Compound 10b,"(1R,2S,3R,5S,6S,9S,10R)-3,5-diamino-7-oxaspiro[5.6]dodecane-1,2,9,10-tetrol",N[C@@H]1C[C@H](N)[C@@]2(CC[C@@H](O)[C@@H](O)CO2)[C@H](O)[C@H]1O,"InChI=1S/C11H22N2O5/c12-5-3-8(13)11(10(17)9(5)16)2-1-6(14)7(15)4-18-11/h5-10,14-17H,1-4,12-13H2/t5-,6-,7+,8+,9+,10-,11+/m1/s1",IQZYORNOCKXPPZ-IZENVQDKSA-N,C11H22N2O5,Not Found,262.306,-3.593455764,6,7,0,2,bacterial (A-site) in 16S rRNA,"This is a synthesised 5,6-Spiroether compound which have the affinities for the binding with Bacterial A Site in 16S rRNA. Binding with bacterial A site results the disruption of protein synthesis.",19585638,,,,,,"Katsoulis IA, Pyrkotis C, Papakyriakou A, Kythreoti G, Zografos AL, Mavridis I, Nahmias VR, Anastasopoulou P, Vourloumis D. Unnatural rigid scaffolds targeting the bacterial ribosome. Chembiochem. 2009 Aug 17;10(12):1969-72. doi: 10.1002/cbic.200900268. PMID: 19585638.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19585638/,,,,,,53317195,No,No,,,,
DBoRL936,Acridine derivative,4-[(6-chloro-2-methoxy-3-methylacridin-9-yl)amino]-2-[(4-methylpiperazin-1-yl)methyl]phenol,COc1cc2c(Nc3ccc(O)c(CN4CCN(C)CC4)c3)c3ccc(Cl)cc3nc2cc1C,"InChI=1S/C27H29ClN4O2/c1-17-12-23-22(15-26(17)34-3)27(21-6-4-19(28)14-24(21)30-23)29-20-5-7-25(33)18(13-20)16-32-10-8-31(2)9-11-32/h4-7,12-15,33H,8-11,16H2,1-3H3,(H,29,30)",LCAZDHJYWQOKLF-UHFFFAOYSA-N,C27H29ClN4O2,Not Found,477.01,5.17835851,2,6,5,5,HIV-1 genomic SL3 rna,"Stem loop 3 (SL3) RNA essential for genome packaging of HIV-1. Acridine derivative specifically binds to stem loop 3 (SL3) RNA of the packaging element ? of HIV-1. As a result, the HIV-1 genome packaging inhibited.  ",19691339,,,,,,"Warui DM, Baranger AM. Identification of specific small molecule ligands for stem loop 3 ribonucleic acid of the packaging signal Psi of human immunodeficiency virus-1. J Med Chem. 2009 Sep 10;52(17):5462-73. doi: 10.1021/jm900599v. PMID: 19691339.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19691339/,,,,,,Not Found,No,No,,,,
DBoRL937,NSC11936,"8-[2-(dimethylamino)ethoxy]-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione",CN(C)CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C,"InChI=1S/C12H19N5O3/c1-14(2)6-7-20-11-13-9-8(15(11)3)10(18)17(5)12(19)16(9)4/h6-7H2,1-5H3",FDNYDAKZUQQLEL-UHFFFAOYSA-N,C12H19N5O3,Not Found,281.316,-0.00042233,0,5,4,2,HIV-1 genomic SL3 rna,"Stem loop 3 (SL3) RNA essential for genome packaging of HIV-1. NSC11936 specifically binds to stem loop 3 (SL3) RNA of the packaging element ? of HIV-1. As a result, the HIV-1 genome packaging inhibited.  ",19691339,,,,,,"Warui DM, Baranger AM. Identification of specific small molecule ligands for stem loop 3 ribonucleic acid of the packaging signal Psi of human immunodeficiency virus-1. J Med Chem. 2009 Sep 10;52(17):5462-73. doi: 10.1021/jm900599v. PMID: 19691339.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19691339/,,,,,,408205,No,No,,,,
DBoRL938,NSC121848,"1-[(3,4-dihydroxyphenyl)methyl]-6,7-dihydroxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium",C[N+]1(C)CCc2cc(O)c(O)cc2C1Cc1ccc(O)c(O)c1,"InChI=1/C18H21NO4/c1-19(2)6-5-12-9-17(22)18(23)10-13(12)14(19)7-11-3-4-15(20)16(21)8-11/h3-4,8-10,14H,5-7H2,1-2H3,(H3-,20,21,22,23)/p+1",GVPVDOISXSALCI-UHFFFAOYNA-O,C18H22NO4,Not Found,316.376,-1.349165421,4,4,2,3,HIV-1 genomic SL3 rna,"Stem loop 3 (SL3) RNA essential for genome packaging of HIV-1. NSC121848 specifically binds to stem loop 3 (SL3) RNA of the packaging element ? of HIV-1. As a result, the HIV-1 genome packaging inhibited.  ",19691339,,,,,,"Warui DM, Baranger AM. Identification of specific small molecule ligands for stem loop 3 ribonucleic acid of the packaging signal Psi of human immunodeficiency virus-1. J Med Chem. 2009 Sep 10;52(17):5462-73. doi: 10.1021/jm900599v. PMID: 19691339.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19691339/,,,,,,420217,No,No,,,,
DBoRL939,NSC154020,"2-(hydroxymethyl)-5-{5-imino-7-methyl-2,6,7,9,11-pentaazatricyclo[6.3.1.0?,??]dodeca-1(12),3,8,10-tetraen-2-yl}oxolane-3,4-diol",CN1NC(=N)c2cn(C3OC(CO)C(O)C3O)c3ncnc1c23,"InChI=1/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)",HOGVTUZUJGHKPL-UHFFFAOYNA-N,C13H16N6O4,Not Found,320.309,-1.288358881,5,9,2,4,HIV-1 genomic SL3 rna,"Stem loop 3 (SL3) RNA essential for genome packaging of HIV-1. NSC154020 specifically binds to stem loop 3 (SL3) RNA of the packaging element ? of HIV-1. As a result, the HIV-1 genome packaging inhibited.  ",19691339,,,,,,"Warui DM, Baranger AM. Identification of specific small molecule ligands for stem loop 3 ribonucleic acid of the packaging signal Psi of human immunodeficiency virus-1. J Med Chem. 2009 Sep 10;52(17):5462-73. doi: 10.1021/jm900599v. PMID: 19691339.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19691339/,,,,,,290486,No,No,,,,
DBoRL940,NSC18613 ,"1-methyl-1-{[2-(trimethylazaniumyl)ethyl]amino}-1,2,3,4-tetrahydroquinolin-1-ium",C[N+](C)(C)CCN[N+]1(C)CCCc2ccccc21,"InChI=1/C15H27N3/c1-17(2,3)13-11-16-18(4)12-7-9-14-8-5-6-10-15(14)18/h5-6,8,10,16H,7,9,11-13H2,1-4H3/q+2",OYBAXZQESJUZKL-UHFFFAOYNA-N,C15H27N3,Not Found,249.401,-5.285300015,1,1,4,2,HIV-1 genomic SL3 rna,"Stem loop 3 (SL3) RNA essential for genome packaging of HIV-1. NSC18613 specifically binds to stem loop 3 (SL3) RNA of the packaging element ? of HIV-1. As a result, the HIV-1 genome packaging inhibited.  ",19691339,,,,,,"Warui DM, Baranger AM. Identification of specific small molecule ligands for stem loop 3 ribonucleic acid of the packaging signal Psi of human immunodeficiency virus-1. J Med Chem. 2009 Sep 10;52(17):5462-73. doi: 10.1021/jm900599v. PMID: 19691339.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19691339/,,,,,,409129,No,No,,,,
DBoRL941,NSC54101,"9-{2-[6-(dimethylamino)-9H-purin-9-yl]ethyl}-N,N-dimethyl-9H-purin-6-amine",CN(C)c1ncnc2c1ncn2CCn1cnc2c(N(C)C)ncnc21,"InChI=1S/C16H20N10/c1-23(2)13-11-15(19-7-17-13)25(9-21-11)5-6-26-10-22-12-14(24(3)4)18-8-20-16(12)26/h7-10H,5-6H2,1-4H3",RWDBBSOPBZYBEH-UHFFFAOYSA-N,C16H20N10,Not Found,352.406,1.087741353,0,8,5,4,HIV-1 genomic SL3 rna,"Stem loop 3 (SL3) RNA essential for genome packaging of HIV-1. NSC54101 specifically binds to stem loop 3 (SL3) RNA of the packaging element ? of HIV-1. As a result, the HIV-1 genome packaging inhibited.  ",19691339,,,,,,"Warui DM, Baranger AM. Identification of specific small molecule ligands for stem loop 3 ribonucleic acid of the packaging signal Psi of human immunodeficiency virus-1. J Med Chem. 2009 Sep 10;52(17):5462-73. doi: 10.1021/jm900599v. PMID: 19691339.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19691339/,,,,,,243877,No,No,,,,
DBoRL942,NSC61809,"7-[(3-hydroxy-2-phenylpropanoyl)oxy]-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0?,?]nonan-9-ium",C[N+]1(C)C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12,"InChI=1/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1",LZCOQTDXKCNBEE-UHFFFAOYNA-N,C18H24NO4,Not Found,318.392,-3.267384321,1,3,5,4,HIV-1 genomic SL3 rna,"Stem loop 3 (SL3) RNA essential for genome packaging of HIV-1. NSC61809 specifically binds to stem loop 3 (SL3) RNA of the packaging element ? of HIV-1. As a result, the HIV-1 genome packaging inhibited.  ",19691339,,,,,,"Warui DM, Baranger AM. Identification of specific small molecule ligands for stem loop 3 ribonucleic acid of the packaging signal Psi of human immunodeficiency virus-1. J Med Chem. 2009 Sep 10;52(17):5462-73. doi: 10.1021/jm900599v. PMID: 19691339.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19691339/,,,,,,4120,Yes,Yes,,DB11315,https://go.drugbank.com/drugs/DB11315,
DBoRL943,Neomycin B derivative - 2,"5-amino-2-(aminomethyl)-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3-hydroxyoxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)oxane-3,4-diol",NCc1cn(CC2OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C(O)C2OC2OC(CN)C(O)C(O)C2N)nn1,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA hairpin loops,"Neomycin B derivative - 2 binds with RNA internal loops and hairpins, which may disrupt the function. Please see the reference for more details.",19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL944,Kanamycin A derivative   (5-TMR),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA hairpin loop Kan HP1,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL945,Kanamycin A derivative   (5-TMR),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA hairpin loop Kan HP2,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL946,Kanamycin A derivative   (5-TMR),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA hairpin loop Kan HP3,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL947,Kanamycin A derivative   (5-TMR),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA hairpin loop Kan HP4,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL948,Kanamycin A derivative   (5-TMR),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA hairpin loop Kan HP5,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL949,Kanamycin A derivative   (5-TMR),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA hairpin loop Kan HP6,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL950,Tobramycin derivative (6-TMR),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA hairpin loop Kan HP1,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL951,Tobramycin derivative (6-TMR),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA hairpin loop Kan HP3,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL952,Tobramycin derivative (6-TMR),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA hairpin loop Kan HP6,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL953,Neamine derivative (7-TMR),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA hairpin loop Kan HP1,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL954,Neamine derivative (7-TMR),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA hairpin loop Kan HP3,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL955,Neamine derivative (7-TMR),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA hairpin loop Kan HP6,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL956,Neomycin B derivative (8- TMR),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA hairpin loop Kan HP1,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL957,Neomycin B derivative (8- TMR),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA hairpin loop Kan HP3,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL958,Neomycin B derivative (8- TMR),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA hairpin loop Kan HP6,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL959,Tobramycin derivative (6-TMR),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol hydrogen",[H].[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8.H/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20;/h5,8-21,31-34H,1-4,6,22-27H2;",YQONNKBQWOMBDU-UHFFFAOYNA-N,C21H42N9O8,Not Found,548.622,-6.731453137,10,16,8,4,RNA hairpin loop Tob HP1,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL960,Tobramycin derivative (6-TMR),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA hairpin loop Tob HP2,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL961,Tobramycin derivative (6-TMR),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA hairpin loop Tob HP3,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL962,Tobramycin derivative (6-TMR),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA hairpin loop Tob HP4,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL963,Tobramycin derivative (6-TMR),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA hairpin loop Tob HP5,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL964,Tobramycin derivative (6-TMR),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA hairpin loop Tob HP6,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL965,Kanamycin A derivative   (5-TMR),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA hairpin loop Tob HP1,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL966,Kanamycin A derivative   (5-TMR),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA hairpin loop Tob HP2,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL967,Kanamycin A derivative   (5-TMR),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA hairpin loop Tob HP3,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL968,Neamine derivative (7-TMR),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA hairpin loop Tob HP1,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL969,Neamine derivative (7-TMR),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA hairpin loop Tob HP2,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL970,Neamine derivative (7-TMR),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA hairpin loop Tob HP3,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL971,Neomycin B derivative (8- TMR),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA hairpin loop Tob HP1,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL972,Neomycin B derivative (8- TMR),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA hairpin loop Tob HP2,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL973,Neomycin B derivative (8- TMR),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA hairpin loop Tob HP3,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL974,Neamine derivative (7-TMR),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA hairpin loop Nea HP1,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL975,Neamine derivative (7-TMR),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA hairpin loop Nea HP2,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL976,Neamine derivative (7-TMR),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA hairpin loop Nea HP3,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL977,Neamine derivative (7-TMR),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA hairpin loop Nea HP4,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL978,Neamine derivative (7-TMR),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA hairpin loop Nea HP5,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL979,Neamine derivative (7-TMR),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA hairpin loop Nea HP6,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL980,Kanamycin A derivative   (5-TMR),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA hairpin loop Nea HP2,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL981,Kanamycin A derivative   (5-TMR),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA hairpin loop Nea HP3,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL982,Kanamycin A derivative   (5-TMR),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA hairpin loop Nea HP6,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL983,Tobramycin derivative (6-TMR),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA hairpin loop Nea HP2,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL984,Tobramycin derivative (6-TMR),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA hairpin loop Nea HP3,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL985,Tobramycin derivative (6-TMR),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA hairpin loop Nea HP6,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL986,Neomycin B derivative (8- TMR),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA hairpin loop Nea HP2,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL987,Neomycin B derivative (8- TMR),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA hairpin loop Nea HP3,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL988,Neomycin B derivative (8- TMR),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA hairpin loop Nea HP6,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL989,Neomycin B derivative (8- TMR),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA hairpin loop Neo HP1,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL990,Neomycin B derivative (8- TMR),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA hairpin loop Neo HP2,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL991,Neomycin B derivative (8- TMR),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA hairpin loop Neo HP3,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL992,Neomycin B derivative (8- TMR),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA hairpin loop Neo HP4,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL993,Neomycin B derivative (8- TMR),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA hairpin loop Neo HP5,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL994,Neomycin B derivative (8- TMR),"5-amino-2-(aminomethyl)-6-[(2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CN)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C26H50N10O12/c27-2-7-5-36(35-34-7)6-12-22(47-25-14(33)19(41)17(39)11(4-29)44-25)20(42)26(45-12)48-23-15(37)8(30)1-9(31)21(23)46-24-13(32)18(40)16(38)10(3-28)43-24/h5,8-26,37-42H,1-4,6,27-33H2",BPPGAMNMKASGMQ-UHFFFAOYNA-N,C26H50N10O12,Not Found,694.744,-8.669130319,13,21,11,5,RNA hairpin loop Neo HP6,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL995,Kanamycin A derivative   (5-TMR),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA hairpin loop Neo HP3,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL996,Kanamycin A derivative   (5-TMR),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA hairpin loop Neo HP4,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL997,Kanamycin A derivative   (5-TMR),"2-(aminomethyl)-6-({4,6-diamino-3-[(4-amino-6-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-3,5-dihydroxyoxan-2-yl)oxy]-2-hydroxycyclohexyl}oxy)oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C21H40N8O10/c22-2-6-4-29(28-27-6)5-10-12(30)11(26)14(32)20(37-10)38-18-7(24)1-8(25)19(17(18)35)39-21-16(34)15(33)13(31)9(3-23)36-21/h4,7-21,30-35H,1-3,5,22-26H2",JUCSGTYVAWJGFG-UHFFFAOYNA-N,C21H40N8O10,Not Found,564.597,-7.314866022,11,17,8,4,RNA hairpin loop Neo HP5,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL998,Tobramycin derivative (6-TMR),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA hairpin loop Neo HP3,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL999,Tobramycin derivative (6-TMR),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA hairpin loop Neo HP4,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL1000,Tobramycin derivative (6-TMR),"4-amino-2-{[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]methyl}-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CN4C=C(CN)N=N4)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C21H41N9O8/c22-3-7-5-30(29-28-7)6-13-15(32)14(27)16(33)21(36-13)38-19-9(25)1-8(24)18(17(19)34)37-20-10(26)2-11(31)12(4-23)35-20/h5,8-21,31-34H,1-4,6,22-27H2",AAGQOOOIICWBSN-UHFFFAOYNA-N,C21H41N9O8,Not Found,547.614,-6.731453137,10,16,8,4,RNA hairpin loop Neo HP5,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL1001,Neamine derivative (7-TMR),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA hairpin loop Neo HP3,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL1002,Neamine derivative (7-TMR),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA hairpin loop Neo HP4,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL1003,Neamine derivative (7-TMR),"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethoxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN2C=C(CN)N=N2)C(N)C(O)C1O,"InChI=1/C17H34N8O6/c18-4-7-6-25(24-23-7)1-2-29-16-12(26)8(20)3-9(21)15(16)31-17-11(22)14(28)13(27)10(5-19)30-17/h6,8-17,26-28H,1-5,18-22H2",MZXUSSOOGPSZMY-UHFFFAOYNA-N,C17H34N8O6,Not Found,446.509,-5.591005884,8,13,8,3,RNA hairpin loop Neo HP5,The compound binds with various RNA hairpin loop with a specificity.,19726586,,,,,,"Paul DJ, Seedhouse SJ, Disney MD. Two-dimensional combinatorial screening and the RNA Privileged Space Predictor program efficiently identify aminoglycoside-RNA hairpin loop interactions. Nucleic Acids Res. 2009 Sep;37(17):5894-907. doi: 10.1093/nar/gkp594. Epub 2009 Sep 2. PMID: 19726586; PMCID: PMC2761267.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19726586/,,,,,,Not Found,No,No,,,,
DBoRL1004,Troleandomycin,"14-{[3-(acetyloxy)-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-12-{[5-(acetyloxy)-4-methoxy-6-methyloxan-2-yl]oxy}-5,7,8,11,13,15-hexamethyl-4,10-dioxo-1,9-dioxaspiro[2.13]hexadecan-6-yl acetate",COC1CC(OC2C(C)C(=O)OC(C)C(C)C(OC(C)=O)C(C)C(=O)C3(CO3)CC(C)C(OC3OC(C)CC(N(C)C)C3OC(C)=O)C2C)OC(C)C1OC(C)=O,"InChI=1/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3",LQCLVBQBTUVCEQ-UHFFFAOYNA-N,C41H67NO15,Not Found,813.979,4.298514645,0,12,12,4,Large Ribosomal Subunit,Troleandomycin bind to the large ribosomal subunit of Haloarcula marismortui. Troleandomycin binds in the nascent peptide tunnel and inhibits the activity of ribosomes by blocking the growth of the nascent peptide chain.,19738021,,,,,,"G?rel G, Blaha G, Steitz TA, Moore PB. Structures of triacetyloleandomycin and mycalamide A bind to the large ribosomal subunit of Haloarcula marismortui. Antimicrob Agents Chemother. 2009 Dec;53(12):5010-4. doi: 10.1128/AAC.00817-09. Epub 2009 Sep 8. PMID: 19738021; PMCID: PMC2786347.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19738021/,,,,,,418931,Yes,Yes,,DB13179,https://go.drugbank.com/drugs/DB13179,
DBoRL1005,"2-(2-Phenylhydrazino)-1,9-dihydro-6H-purine-6-one","2-(2-phenylhydrazin-1-yl)-6,7-dihydro-1H-purin-6-one",O=c1[nH]c(NNc2ccccc2)nc2nc[nH]c12,"InChI=1S/C11H10N6O/c18-10-8-9(13-6-12-8)14-11(15-10)17-16-7-4-2-1-3-5-7/h1-6,16H,(H3,12,13,14,15,17,18)",QWFWXOMGQAOBPH-UHFFFAOYSA-N,C11H10N6O,Not Found,242.242,1.060086676,4,5,3,3,guanine riboswitch aptamer from B. subtilis,"2-(2-Phenylhydrazino)-1,9-dihydro-6H-purine-6-one, a purine analogue that binds to guanine riboswitch aptamer from B. subtilis and regulate the expression of those genes which are involved in purine biosynthesis and transport.",19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,136675843,No,No,,,,
DBoRL1006,"2-(Phenylmethoxyamino)-3,7-dihydropurin-6-one","2-[(benzyloxy)amino]-6,7-dihydro-1H-purin-6-one",O=c1[nH]c(NOCc2ccccc2)nc2nc[nH]c12,"InChI=1S/C12H11N5O2/c18-11-9-10(14-7-13-9)15-12(16-11)17-19-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17,18)",ULLBCWAASIVLPB-UHFFFAOYSA-N,C12H11N5O2,Not Found,257.253,1.057135711,3,5,4,3,guanine riboswitch aptamer from B. subtilis,"2-(Phenylmethoxyamino)-3,7-dihydropurin-6-one, a purine analogue that binds to guanine riboswitch aptamer from B. subtilis and regulate the expression of those genes which are involved in purine biosynthesis and transport.",19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,136439155,No,No,,,,
DBoRL1007,2-(Trifluoromethyl)-3H-purin-6(7H)-one,"2-(trifluoromethyl)-6,7-dihydro-1H-purin-6-one",O=c1[nH]c(C(F)(F)F)nc2nc[nH]c12,"InChI=1S/C6H3F3N4O/c7-6(8,9)5-12-3-2(4(14)13-5)10-1-11-3/h1H,(H2,10,11,12,13,14)",SLPBZJPJRTYAPU-UHFFFAOYSA-N,C6H3F3N4O,2268-14-6,204.112,0.30175777,2,3,1,2,guanine riboswitch aptamer from B. subtilis,"2-(Trifluoromethyl)-3H-purin-6(7H)-one, a purine analogue that binds to guanine riboswitch aptamer from B. subtilis and regulate the expression of those genes which are involved in purine biosynthesis and transport.",19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,135742597,No,No,,,,
DBoRL1008,2-Acetamido-6-hydroxypurine,"N-(6-oxo-6,7-dihydro-1H-purin-2-yl)acetamide",CC(=O)Nc1nc2nc[nH]c2c(=O)[nH]1,"InChI=1S/C7H7N5O2/c1-3(13)10-7-11-5-4(6(14)12-7)8-2-9-5/h2H,1H3,(H3,8,9,10,11,12,13,14)",MXSMRDDXWJSGMC-UHFFFAOYSA-N,C7H7N5O2,19962-37-9,193.166,-1.175508096,3,4,1,2,guanine riboswitch aptamer from B. subtilis,"2-Acetamido-6-hydroxypurine, a purine analogue that binds to guanine riboswitch aptamer from B. subtilis and regulate the expression of those genes which are involved in purine biosynthesis and transport.",19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,135432176,No,No,,,,
DBoRL1009,2-Amino-N(6)-methoxyadenine,"N6-methoxy-7H-purine-2,6-diamine",CONc1nc(N)nc2nc[nH]c12,"InChI=1S/C6H8N6O/c1-13-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H4,7,8,9,10,11,12)",MPQODCRXMAXIRX-UHFFFAOYSA-N,C6H8N6O,60254-48-0,180.171,-0.008453577,3,6,2,2,guanine riboswitch aptamer from B. subtilis,"2-Amino-N(6)-methoxyadenine, a purine analogue that binds to guanine riboswitch aptamer from B. subtilis and regulate the expression of those genes which are involved in purine biosynthesis and transport.",19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,124696,No,No,,,,
DBoRL1010,Guanine analog G1,"2-(trifluoromethyl)-6,9-dihydro-1H-purin-6-one",O=c1[nH]c(C(F)(F)F)nc2[nH]cnc12,"InChI=1S/C6H3F3N4O/c7-6(8,9)5-12-3-2(4(14)13-5)10-1-11-3/h1H,(H2,10,11,12,13,14)",SLPBZJPJRTYAPU-UHFFFAOYSA-N,C6H3F3N4O,2268-14-6,204.112,0.262440451,2,3,1,2,guanine riboswitch aptamer from B. subtilis,"Guanine analog G1, a purine analogue that binds to guanine riboswitch aptamer from B. subtilis and regulate the expression of those genes which are involved in purine biosynthesis and transport.",19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,135742597,No,No,,,,
DBoRL1011,Guanine analog G10,"6-(phenoxyimino)-6,9-dihydro-1H-purin-2-amine",Nc1nc2[nH]cnc2c(=NOc2ccccc2)[nH]1,"InChI=1S/C11H10N6O/c12-11-15-9-8(13-6-14-9)10(16-11)17-18-7-4-2-1-3-5-7/h1-6H,(H4,12,13,14,15,16,17)",MEOSBYBXRBYQOR-UHFFFAOYSA-N,C11H10N6O,Not Found,242.242,1.010231903,3,6,2,3,guanine riboswitch aptamer from B. subtilis,"Guanine analog G10, a purine analogue that binds to guanine riboswitch aptamer from B. subtilis and regulate the expression of those genes which are involved in purine biosynthesis and transport.",19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,Not Found,No,No,,,,
DBoRL1012,Guanine analog G11,"2-(2-amino-6,9-dihydro-1H-purin-6-ylidene)hydrazinium",Nc1nc2[nH]cnc2c(=N[NH3+])[nH]1,"InChI=1S/C5H7N7/c6-5-10-3-2(8-1-9-3)4(11-5)12-7/h1H,7H2,(H4,6,8,9,10,11,12)/p+1",KNOLGURLPMQDCC-UHFFFAOYSA-O,C5H8N7,Not Found,166.167,-1.318981234,4,5,0,2,guanine riboswitch aptamer from B. subtilis,"Guanine analog G11, a purine analogue that binds to guanine riboswitch aptamer from B. subtilis and regulate the expression of those genes which are involved in purine biosynthesis and transport.",19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,Not Found,No,No,,,,
DBoRL1013,Guanine analog G12,"1-(2-amino-6,9-dihydro-1H-purin-6-ylidene)-1-methylhydrazinium",C[N+](N)=c1[nH]c(N)nc2[nH]cnc12,"InChI=1S/C6H9N7/c1-13(8)5-3-4(10-2-9-3)11-6(7)12-5/h2H,8H2,1H3,(H3,7,9,10,11,12)/p+1",RKRMMQDQUVOMBN-UHFFFAOYSA-O,C6H10N7,Not Found,180.194,-4.510763967,4,5,0,2,guanine riboswitch aptamer from B. subtilis,"Guanine analog G12, a purine analogue that binds to guanine riboswitch aptamer from B. subtilis and regulate the expression of those genes which are involved in purine biosynthesis and transport.",19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,Not Found,No,No,,,,
DBoRL1014,Guanine analog G13,"6-(2-benzylhydrazin-1-ylidene)-6,9-dihydro-1H-purin-2-amine",Nc1nc2[nH]cnc2c(=NNCc2ccccc2)[nH]1,"InChI=1S/C12H13N7/c13-12-17-10-9(14-7-15-10)11(18-12)19-16-6-8-4-2-1-3-5-8/h1-5,7,16H,6H2,(H4,13,14,15,17,18,19)",ARQCTLTUEORANX-UHFFFAOYSA-N,C12H13N7,Not Found,255.285,0.629167949,4,6,3,3,guanine riboswitch aptamer from B. subtilis,"Guanine analog G13, a purine analogue that binds to guanine riboswitch aptamer from B. subtilis and regulate the expression of those genes which are involved in purine biosynthesis and transport.",19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,Not Found,No,No,,,,
DBoRL1015,Guanine analog G14,"6-(2-phenylhydrazin-1-ylidene)-6,9-dihydro-1H-purin-2-amine",Nc1nc2[nH]cnc2c(=NNc2ccccc2)[nH]1,"InChI=1S/C11H11N7/c12-11-15-9-8(13-6-14-9)10(16-11)18-17-7-4-2-1-3-5-7/h1-6,17H,(H4,12,13,14,15,16,18)",FCDYKKDFVQCTOQ-UHFFFAOYSA-N,C11H11N7,Not Found,241.258,1.079697537,4,6,2,3,guanine riboswitch aptamer from B. subtilis,"Guanine analog G14, a purine analogue that binds to guanine riboswitch aptamer from B. subtilis and regulate the expression of those genes which are involved in purine biosynthesis and transport.",19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,Not Found,No,No,,,,
DBoRL1016,Guanine analog G15,"6-[(4-methoxyphenyl)imino]-6,9-dihydro-1H-purin-2-amine",COc1ccc(N=c2[nH]c(N)nc3[nH]cnc23)cc1,"InChI=1S/C12H12N6O/c1-19-8-4-2-7(3-5-8)16-11-9-10(15-6-14-9)17-12(13)18-11/h2-6H,1H3,(H4,13,14,15,16,17,18)",QQQNMEDKMNNWHV-UHFFFAOYSA-N,C12H12N6O,151644-04-1,256.269,0.868920248,3,6,2,3,guanine riboswitch aptamer from B. subtilis,"Guanine analog G15, a purine analogue that binds to guanine riboswitch aptamer from B. subtilis and regulate the expression of those genes which are involved in purine biosynthesis and transport.",19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,16423206,No,No,,,,
DBoRL1017,Guanine analog G16,"6-{[4-(morpholin-4-yl)phenyl]imino}-6,9-dihydro-1H-purin-2-amine",Nc1nc2[nH]cnc2c(=Nc2ccc(N3CCOCC3)cc2)[nH]1,"InChI=1S/C15H17N7O/c16-15-20-13-12(17-9-18-13)14(21-15)19-10-1-3-11(4-2-10)22-5-7-23-8-6-22/h1-4,9H,5-8H2,(H4,16,17,18,19,20,21)",XJECGQLTYGHPEK-UHFFFAOYSA-N,C15H17N7O,Not Found,311.349,0.916134921,3,7,2,4,guanine riboswitch aptamer from B. subtilis,"Guanine analog G16, a purine analogue that binds to guanine riboswitch aptamer from B. subtilis and regulate the expression of those genes which are involved in purine biosynthesis and transport.",19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,Not Found,No,No,,,,
DBoRL1018,Guanine analog G2,"2-(methoxyamino)-6,9-dihydro-1H-purin-6-one",CONc1nc2[nH]cnc2c(=O)[nH]1,"InChI=1S/C6H7N5O2/c1-13-11-6-9-4-3(5(12)10-6)7-2-8-4/h2H,1H3,(H3,7,8,9,10,11,12)",DXRNCSNRLSCBGK-UHFFFAOYSA-N,C6H7N5O2,1191036-76-6,181.155,-0.706654726,3,5,2,2,guanine riboswitch aptamer from B. subtilis,"Guanine analog G2, a purine analogue that binds to guanine riboswitch aptamer from B. subtilis and regulate the expression of those genes which are involved in purine biosynthesis and transport.",19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,136964342,No,No,,,,
DBoRL1019,Guanine analog G3,"2-[(benzyloxy)amino]-6,9-dihydro-1H-purin-6-one",O=c1[nH]c(NOCc2ccccc2)nc2[nH]cnc12,"InChI=1S/C12H11N5O2/c18-11-9-10(14-7-13-9)15-12(16-11)17-19-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17,18)",ULLBCWAASIVLPB-UHFFFAOYSA-N,C12H11N5O2,Not Found,257.253,1.017818392,3,5,4,3,guanine riboswitch aptamer from B. subtilis,"Guanine analog G3, a purine analogue that binds to guanine riboswitch aptamer from B. subtilis and regulate the expression of those genes which are involved in purine biosynthesis and transport.",19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,136439155,No,No,,,,
DBoRL1020,Guanine analog G4,"N-(6-oxo-6,9-dihydro-1H-purin-2-yl)acetamide",CC(=O)Nc1nc2[nH]cnc2c(=O)[nH]1,"InChI=1S/C7H7N5O2/c1-3(13)10-7-11-5-4(6(14)12-7)8-2-9-5/h2H,1H3,(H3,8,9,10,11,12,13,14)",MXSMRDDXWJSGMC-UHFFFAOYSA-N,C7H7N5O2,19962-37-9,193.166,-1.214825415,3,4,1,2,guanine riboswitch aptamer from B. subtilis,"Guanine analog G4, a purine analogue that binds to guanine riboswitch aptamer from B. subtilis and regulate the expression of those genes which are involved in purine biosynthesis and transport.",19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,135432176,No,No,,,,
DBoRL1021,Guanine analog G5,"2-(2-methylhydrazin-1-yl)-6,9-dihydro-1H-purin-6-one",CNNc1nc2[nH]cnc2c(=O)[nH]1,"InChI=1S/C6H8N6O/c1-7-12-6-10-4-3(5(13)11-6)8-2-9-4/h2,7H,1H3,(H3,8,9,10,11,12,13)",UPCMIZOXTXHUAE-UHFFFAOYSA-N,C6H8N6O,1191036-78-8,180.171,-1.154233348,4,5,2,2,guanine riboswitch aptamer from B. subtilis,"Guanine analog G5, a purine analogue that binds to guanine riboswitch aptamer from B. subtilis and regulate the expression of those genes which are involved in purine biosynthesis and transport.",19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,136964343,No,No,,,,
DBoRL1022,Guanine analog G6,"2-(2-phenylhydrazin-1-yl)-6,9-dihydro-1H-purin-6-one",O=c1[nH]c(NNc2ccccc2)nc2[nH]cnc12,"InChI=1S/C11H10N6O/c18-10-8-9(13-6-12-8)14-11(15-10)17-16-7-4-2-1-3-5-7/h1-6,16H,(H3,12,13,14,15,17,18)",QWFWXOMGQAOBPH-UHFFFAOYSA-N,C11H10N6O,Not Found,242.242,1.020769357,4,5,3,3,guanine riboswitch aptamer from B. subtilis,"Guanine analog G6, a purine analogue that binds to guanine riboswitch aptamer from B. subtilis and regulate the expression of those genes which are involved in purine biosynthesis and transport.",19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,136675843,No,No,,,,
DBoRL1023,Guanine analog G7,"6-(hydroxyimino)-6,9-dihydro-1H-purin-2-amine",Nc1nc2[nH]cnc2c(=NO)[nH]1,"InChI=1S/C5H6N6O/c6-5-9-3-2(7-1-8-3)4(10-5)11-12/h1,12H,(H4,6,7,8,9,10,11)",UJUHACUYECLPGK-UHFFFAOYSA-N,C5H6N6O,7269-57-0,166.144,-1.025687268,4,6,0,2,guanine riboswitch aptamer from B. subtilis,"Guanine analog G7, a purine analogue that binds to guanine riboswitch aptamer from B. subtilis and regulate the expression of those genes which are involved in purine biosynthesis and transport.",19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,101513,No,No,,,,
DBoRL1024,Guanine analog G8,"6-(methoxyimino)-6,9-dihydro-1H-purin-2-amine",CON=c1[nH]c(N)nc2[nH]cnc12,"InChI=1S/C6H8N6O/c1-13-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H4,7,8,9,10,11,12)",MPQODCRXMAXIRX-UHFFFAOYSA-N,C6H8N6O,60254-48-0,180.171,-0.647726546,3,6,1,2,guanine riboswitch aptamer from B. subtilis,"Guanine analog G8, a purine analogue that binds to guanine riboswitch aptamer from B. subtilis and regulate the expression of those genes which are involved in purine biosynthesis and transport.",19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,124696,No,No,,,,
DBoRL1025,Guanine analog G9,"6-[(benzyloxy)imino]-6,9-dihydro-1H-purin-2-amine",Nc1nc2[nH]cnc2c(=NOCc2ccccc2)[nH]1,"InChI=1S/C12H12N6O/c13-12-16-10-9(14-7-15-10)11(17-12)18-19-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H4,13,14,15,16,17,18)",ITGDEKCVZBAMIA-UHFFFAOYSA-N,C12H12N6O,Not Found,256.269,1.076746572,3,6,3,3,guanine riboswitch aptamer from B. subtilis,"Guanine analog G9, a purine analogue that binds to guanine riboswitch aptamer from B. subtilis and regulate the expression of those genes which are involved in purine biosynthesis and transport.",19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,Not Found,No,No,,,,
DBoRL1026,Methoxyguanine,"2-(methoxyamino)-6,7-dihydro-1H-purin-6-one",CONc1nc2nc[nH]c2c(=O)[nH]1,"InChI=1S/C6H7N5O2/c1-13-11-6-9-4-3(5(12)10-6)7-2-8-4/h2H,1H3,(H3,7,8,9,10,11,12)",DXRNCSNRLSCBGK-UHFFFAOYSA-N,C6H7N5O2,1191036-76-6,181.155,-0.667337406,3,5,2,2,guanine riboswitch aptamer from B. subtilis,"Methoxyguanine, a purine analogue that binds to guanine riboswitch aptamer from B. subtilis and regulate the expression of those genes which are involved in purine biosynthesis and transport.",19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,136964342,No,No,,,,
DBoRL1027,coralyne,"2,3,10,11-tetramethoxy-5-methyl-6??-azatetraphen-6-ylium",COC1=CC2=C(C=C1OC)C1=CC3=C(C=C(OC)C(OC)=C3)C(C)=[N+]1C=C2,"InChI=1S/C22H22NO4/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18/h6-12H,1-5H3/q+1",GOEJQGGEIVSVOK-UHFFFAOYSA-N,C22H22NO4,"38989-38-7,1031265-39-0,38989-37-6",364.42,0.209811641,0,4,4,4,RNA triplex: poly(U).poly(A).poly(U),"Coralyne (an alkaloid but synthetic derivative) that bind with the RNA triplex poly(U).poly(A)*poly(U). Coralyne has the more affinity compared to berberine and palmatine to bind with RNA triplex. Coralyne bind noncooperatively to the RNA triplex & work as intercalating agent. Those RNA triplex which are bound with coralyne molecules, are able to generate of strong optical activity.",19754095,,,,,,"Sinha R, Kumar GS. Interaction of isoquinoline alkaloids with an RNA triplex: structural and thermodynamic studies of berberine, palmatine, and coralyne binding to poly(U).poly(A)(*)poly(U). J Phys Chem B. 2009 Oct 8;113(40):13410-20. doi: 10.1021/jp9069515. PMID: 19754095.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19754095/,,,,,,23307,No,No,,,,
DBoRL1028,palmatine,"3,4,10,11-tetramethoxy-7,8-dihydro-6??-azatetraphen-6-ylium",COC1=CC2=C(C=C1OC)C1=CC3=CC=C(OC)C(OC)=C3C=[N+]1CC2,"InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1",QUCQEUCGKKTEBI-UHFFFAOYSA-N,C21H22NO4,3486-67-7,352.409,-1.221888285,0,4,4,4,RNA triplex: poly(U).poly(A).poly(U),Protoberberine alkaloid palmatine binds with the RNA triplex poly(U).poly(A)*poly(U). Palmatine binds noncooperatively to the RNA triplex and work as intercalating agent. Palmitine has the higher affinity towards the Poly(U).Poly(A)*Poly(U) sites. The alkaloid stabilizes the Hoogsteen base-paired third strand of the triplex without affecting the stability of the duplex.,19754095,,,,,,"Sinha R, Kumar GS. Interaction of isoquinoline alkaloids with an RNA triplex: structural and thermodynamic studies of berberine, palmatine, and coralyne binding to poly(U).poly(A)(*)poly(U). J Phys Chem B. 2009 Oct 8;113(40):13410-20. doi: 10.1021/jp9069515. PMID: 19754095.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19754095/,,,,,,19009,No,No,,,,
DBoRL1029,ligand1 MBNL,"N2-{4-[(6-chloro-2-methoxyanthracen-9-yl)amino]butyl}-1,3,5-triazine-2,4,6-triamine",COc1ccc2cc3cc(Cl)ccc3c(NCCCCNc3nc(N)nc(N)n3)c2c1,"InChI=1S/C22H24ClN7O/c1-31-16-6-4-13-10-14-11-15(23)5-7-17(14)19(18(13)12-16)26-8-2-3-9-27-22-29-20(24)28-21(25)30-22/h4-7,10-12,26H,2-3,8-9H2,1H3,(H5,24,25,27,28,29,30)",BRFBNIXGHPHSTH-UHFFFAOYSA-N,C22H24ClN7O,Not Found,437.93,3.984164636,4,8,8,4,(CUG)12,"Myotonic dystrophy type 1 (DM1), the most common form of muscular dystrophy in adults, is an RNA-mediated disease. In this kind of disease, CUG repeats get dramatically expanded, accumulate in nuclei, and sequester RNA-binding proteins such as the splicing regulator MBNL1. Ligand1 MBNL selectively binds with CUG trinucleotide repeats of RNA and inhibits Muscleblind-like 1 (MBNL) protein binding.",19805260,,,,,,"Arambula JF, Ramisetty SR, Baranger AM, Zimmerman SC. A simple ligand that selectively targets CUG trinucleotide repeats and inhibits MBNL protein binding. Proc Natl Acad Sci U S A. 2009 Sep 22;106(38):16068-73. doi: 10.1073/pnas.0901824106. Epub 2009 Sep 8. PMID: 19805260; PMCID: PMC2752522.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19805260/,,,,,,Not Found,No,No,,,,
DBoRL1030,"N4-[4-[(6-Chloranyl-2-methoxy-acridin-9-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine","N2-{4-[(6-chloro-2-methoxyacridin-9-yl)amino]butyl}-1,3,5-triazine-2,4,6-triamine",COc1ccc2nc3cc(Cl)ccc3c(NCCCCNc3nc(N)nc(N)n3)c2c1,"InChI=1S/C21H23ClN8O/c1-31-13-5-7-16-15(11-13)18(14-6-4-12(22)10-17(14)27-16)25-8-2-3-9-26-21-29-19(23)28-20(24)30-21/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,27)(H5,23,24,26,28,29,30)",YRQBNFDRSZQBNL-UHFFFAOYSA-N,C21H23ClN8O,Not Found,438.92,3.538192861,4,9,8,4,RNA sequences H (CUG)4,"Myotonic dystrophy type 1 (DM1), the most common form of muscular dystrophy in adults, is an RNA-mediated disease. In this kind of disease, CUG repeats get dramatically expanded, accumulate in nuclei, and sequester RNA-binding proteins such as the splicing regulator MBNL1. N4-[4-[(6-Chloranyl-2-methoxy-acridin-9-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine is a simple ligand that selectively binds with CUG trinucleotide repeats and inhibits Muscleblind-like 1 (MBNL) protein binding.",19805260,,,,,,"Arambula JF, Ramisetty SR, Baranger AM, Zimmerman SC. A simple ligand that selectively targets CUG trinucleotide repeats and inhibits MBNL protein binding. Proc Natl Acad Sci U S A. 2009 Sep 22;106(38):16068-73. doi: 10.1073/pnas.0901824106. Epub 2009 Sep 8. PMID: 19805260; PMCID: PMC2752522.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19805260/,,,,,,71511622,No,No,,,,
DBoRL1031,Compound 1,"N2-{4-[(6-chloro-2-methoxyacridin-9-yl)amino]butyl}-1,3,5-triazine-2,4,6-triamine",COC1=CC2=C(NCCCCNC3=NC(N)=NC(N)=N3)C3=CC=C(Cl)C=C3N=C2C=C1,"InChI=1S/C21H23ClN8O/c1-31-13-5-7-16-15(11-13)18(14-6-4-12(22)10-17(14)27-16)25-8-2-3-9-26-21-29-19(23)28-20(24)30-21/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,27)(H5,23,24,26,28,29,30)",YRQBNFDRSZQBNL-UHFFFAOYSA-N,C21H23ClN8O,Not Found,438.92,3.538192861,4,9,8,4,RNA sequences H (CUG)4,This compound is a simple ligand that selectively targets CUG trinucleotide repeats of RNA and inhibits muscleblind-like (MBNL) protein binding.,19805260,,,,,,"Arambula JF, Ramisetty SR, Baranger AM, Zimmerman SC. A simple ligand that selectively targets CUG trinucleotide repeats and inhibits MBNL protein binding. Proc Natl Acad Sci U S A. 2009 Sep 22;106(38):16068-73. doi: 10.1073/pnas.0901824106. Epub 2009 Sep 8. PMID: 19805260; PMCID: PMC2752522.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19805260/,,,,,,71511622,No,No,,,,
DBoRL1032,Compound 1,"N2-{4-[(6-chloro-2-methoxyacridin-9-yl)amino]butyl}-1,3,5-triazine-2,4,6-triamine",COC1=CC2=C(NCCCCNC3=NC(N)=NC(N)=N3)C3=CC=C(Cl)C=C3N=C2C=C1,"InChI=1S/C21H23ClN8O/c1-31-13-5-7-16-15(11-13)18(14-6-4-12(22)10-17(14)27-16)25-8-2-3-9-26-21-29-19(23)28-20(24)30-21/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,27)(H5,23,24,26,28,29,30)",YRQBNFDRSZQBNL-UHFFFAOYSA-N,C21H23ClN8O,Not Found,438.92,3.538192861,4,9,8,4,RNA sequence I having mismatch U-U,This compound is a simple ligand that selectively targets RNA sequence I having mismatch U-U and inhibits muscleblind-like (MBNL) protein binding.,19805260,,,,,,"Arambula JF, Ramisetty SR, Baranger AM, Zimmerman SC. A simple ligand that selectively targets CUG trinucleotide repeats and inhibits MBNL protein binding. Proc Natl Acad Sci U S A. 2009 Sep 22;106(38):16068-73. doi: 10.1073/pnas.0901824106. Epub 2009 Sep 8. PMID: 19805260; PMCID: PMC2752522.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19805260/,,,,,,71511622,No,No,,,,
DBoRL1033,Compound 1,"N2-{4-[(6-chloro-2-methoxyacridin-9-yl)amino]butyl}-1,3,5-triazine-2,4,6-triamine",COC1=CC2=C(NCCCCNC3=NC(N)=NC(N)=N3)C3=CC=C(Cl)C=C3N=C2C=C1,"InChI=1S/C21H23ClN8O/c1-31-13-5-7-16-15(11-13)18(14-6-4-12(22)10-17(14)27-16)25-8-2-3-9-26-21-29-19(23)28-20(24)30-21/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,27)(H5,23,24,26,28,29,30)",YRQBNFDRSZQBNL-UHFFFAOYSA-N,C21H23ClN8O,Not Found,438.92,3.538192861,4,9,8,4,RNA sequence J having mismatch C-C,This compound is a simple ligand that selectively targets RNA sequence J having mismatch C-C and inhibits muscleblind-like (MBNL) protein binding.,19805260,,,,,,"Arambula JF, Ramisetty SR, Baranger AM, Zimmerman SC. A simple ligand that selectively targets CUG trinucleotide repeats and inhibits MBNL protein binding. Proc Natl Acad Sci U S A. 2009 Sep 22;106(38):16068-73. doi: 10.1073/pnas.0901824106. Epub 2009 Sep 8. PMID: 19805260; PMCID: PMC2752522.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19805260/,,,,,,71511622,No,No,,,,
DBoRL1034,Compound 1,"N2-{4-[(6-chloro-2-methoxyacridin-9-yl)amino]butyl}-1,3,5-triazine-2,4,6-triamine",COC1=CC2=C(NCCCCNC3=NC(N)=NC(N)=N3)C3=CC=C(Cl)C=C3N=C2C=C1,"InChI=1S/C21H23ClN8O/c1-31-13-5-7-16-15(11-13)18(14-6-4-12(22)10-17(14)27-16)25-8-2-3-9-26-21-29-19(23)28-20(24)30-21/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,27)(H5,23,24,26,28,29,30)",YRQBNFDRSZQBNL-UHFFFAOYSA-N,C21H23ClN8O,Not Found,438.92,3.538192861,4,9,8,4,RNA sequence K having mismatch A-A,This compound is a simple ligand that selectively targets RNA sequence K  having mismatch A-A and inhibits muscleblind-like (MBNL) protein binding.,19805260,,,,,,"Arambula JF, Ramisetty SR, Baranger AM, Zimmerman SC. A simple ligand that selectively targets CUG trinucleotide repeats and inhibits MBNL protein binding. Proc Natl Acad Sci U S A. 2009 Sep 22;106(38):16068-73. doi: 10.1073/pnas.0901824106. Epub 2009 Sep 8. PMID: 19805260; PMCID: PMC2752522.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19805260/,,,,,,71511622,No,No,,,,
DBoRL1035,Compound 1,"N2-{4-[(6-chloro-2-methoxyacridin-9-yl)amino]butyl}-1,3,5-triazine-2,4,6-triamine",COC1=CC2=C(NCCCCNC3=NC(N)=NC(N)=N3)C3=CC=C(Cl)C=C3N=C2C=C1,"InChI=1S/C21H23ClN8O/c1-31-13-5-7-16-15(11-13)18(14-6-4-12(22)10-17(14)27-16)25-8-2-3-9-26-21-29-19(23)28-20(24)30-21/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,27)(H5,23,24,26,28,29,30)",YRQBNFDRSZQBNL-UHFFFAOYSA-N,C21H23ClN8O,Not Found,438.92,3.538192861,4,9,8,4,RNA sequence L having mismatch G-G,This compound is a simple ligand that selectively targets RNA sequence L  having mismatch G-G and inhibits muscleblind-like (MBNL) protein binding.,19805260,,,,,,"Arambula JF, Ramisetty SR, Baranger AM, Zimmerman SC. A simple ligand that selectively targets CUG trinucleotide repeats and inhibits MBNL protein binding. Proc Natl Acad Sci U S A. 2009 Sep 22;106(38):16068-73. doi: 10.1073/pnas.0901824106. Epub 2009 Sep 8. PMID: 19805260; PMCID: PMC2752522.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19805260/,,,,,,71511622,No,No,,,,
DBoRL1036,Compound 1,"N2-{4-[(6-chloro-2-methoxyacridin-9-yl)amino]butyl}-1,3,5-triazine-2,4,6-triamine",COC1=CC2=C(NCCCCNC3=NC(N)=NC(N)=N3)C3=CC=C(Cl)C=C3N=C2C=C1,"InChI=1S/C21H23ClN8O/c1-31-13-5-7-16-15(11-13)18(14-6-4-12(22)10-17(14)27-16)25-8-2-3-9-26-21-29-19(23)28-20(24)30-21/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,27)(H5,23,24,26,28,29,30)",YRQBNFDRSZQBNL-UHFFFAOYSA-N,C21H23ClN8O,Not Found,438.92,3.538192861,4,9,8,4,RNA sequence M (CUG)12,This compound is a simple ligand that selectively targets RNA sequence M (CUG)12 and inhibits muscleblind-like (MBNL) protein binding.,19805260,,,,,,"Arambula JF, Ramisetty SR, Baranger AM, Zimmerman SC. A simple ligand that selectively targets CUG trinucleotide repeats and inhibits MBNL protein binding. Proc Natl Acad Sci U S A. 2009 Sep 22;106(38):16068-73. doi: 10.1073/pnas.0901824106. Epub 2009 Sep 8. PMID: 19805260; PMCID: PMC2752522.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19805260/,,,,,,71511622,No,No,,,,
DBoRL1037,c-di-AMP,"3,9,12,18-tetrahydroxy-8,17-bis(6-oxo-6,9-dihydro-1H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",O=c1[nH]cnc2c1ncn2C1OC2COP(=O)(O)OC3C(COP(=O)(O)OC2C1O)OC(n1cnc2c(=O)[nH]cnc21)C3O,"InChI=1/C20H22N8O14P2/c29-11-13-7(39-19(11)27-5-25-9-15(27)21-3-23-17(9)31)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)30)28-6-26-10-16(28)22-4-24-18(10)32/h3-8,11-14,19-20,29-30H,1-2H2,(H,33,34)(H,35,36)(H,21,23,31)(H,22,24,32)",VFTRASQVWRBMKD-UHFFFAOYNA-N,C20H22N8O14P2,Not Found,660.386,-3.782415846,6,14,2,7,"Vibrio choleae c-di-GMP-I mutant aptamer Vc2 110 RNA G20A, C92U",c-di-AMP binds with c-di-GMP riboswitch and control the expression of genes which are involved with bacterial physiology.,19898477,,,,,,"Smith KD, Lipchock SV, Ames TD, Wang J, Breaker RR, Strobel SA. Structural basis of ligand binding by a c-di-GMP riboswitch. Nat Struct Mol Biol. 2009 Dec;16(12):1218-23. doi: 10.1038/nsmb.1702. Epub 2009 Nov 8. PMID: 19898477; PMCID: PMC2850612.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19898477/,,,,,,Not Found,No,No,,,,
DBoRL1038,kanamycin derivative  (FITC-K),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA1,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,72566866,No,No,,,,
DBoRL1039,kanamycin derivative (2K-0),"3-{3-[N-(carbamoylmethyl)-2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)acetamido]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",NC1CC(N)C(OC2OC(CNC(=O)CCCC3=CN(CCCN(CC(=O)N(CCC[N+]4=NNC=C4CCCC(=O)NCC4OC(OC5C(N)CC(N)C(OC6OC(CO)C(O)C(N)C6O)C5O)C(O)C(O)C4O)CC(N)=O)C(=O)CCCCCNC(=O)C4=CC(C(O)=O)=C(C=C4)C4=C5C=CC(=O)C=C5OC5=C4C=CC(O)=C5)N=N3)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C85H124N18O33/c86-46-27-48(88)78(74(123)76(46)133-82-68(117)62(91)64(113)54(35-104)131-82)135-84-72(121)70(119)66(115)52(129-84)30-94-57(109)10-4-8-38-32-102(99-97-38)22-6-20-101(59(111)12-2-1-3-19-93-80(125)37-13-16-42(45(24-37)81(126)127)61-43-17-14-40(106)25-50(43)128-51-26-41(107)15-18-44(51)61)34-60(112)100(33-56(90)108)21-7-23-103-39(29-96-98-103)9-5-11-58(110)95-31-53-67(116)71(120)73(122)85(130-53)136-79-49(89)28-47(87)77(75(79)124)134-83-69(118)63(92)65(114)55(36-105)132-83/h13-18,24-26,29,32,46-49,52-55,62-79,82-85,104-105,113-124H,1-12,19-23,27-28,30-31,33-36,86-89,91-92H2,(H7,90,93,94,95,106,107,108,109,110,125,126,127)/p+1",NWSSSORDCOSKFM-UHFFFAOYNA-O,C85H125N18O33,Not Found,1927.03,-19.1779633,27,42,42,12,RNA1,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1040,kanamycin derivative (2K-1),"3-{3-[(carbamoylmethyl)({[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-propylacetamido]carbonyl})amino]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",CCCN(C(=O)CN(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)C(=O)CCCCCNC(=O)C1=CC(C(O)=O)=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(O)=C2)C(=O)N(CCC[N+]1=NNC=C1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O,"InChI=1/C89H131N19O34/c1-2-22-107(89(133)105(36-59(94)113)24-9-26-108-42(32-100-102-108)11-7-13-61(115)99-34-56-70(121)74(125)76(127)88(136-56)142-82-52(93)31-50(91)80(78(82)129)140-86-72(123)66(96)68(119)58(39-110)138-86)63(117)37-104(62(116)14-4-3-5-21-97-83(130)40-15-18-45(48(27-40)84(131)132)64-46-19-16-43(111)28-53(46)134-54-29-44(112)17-20-47(54)64)23-8-25-106-35-41(101-103-106)10-6-12-60(114)98-33-55-69(120)73(124)75(126)87(135-55)141-81-51(92)30-49(90)79(77(81)128)139-85-71(122)65(95)67(118)57(38-109)137-85/h15-20,27-29,32,35,49-52,55-58,65-82,85-88,109-110,118-129H,2-14,21-26,30-31,33-34,36-39,90-93,95-96H2,1H3,(H7,94,97,98,99,111,112,113,114,115,130,131,132)/p+1",YUGWKXIUKAPMIA-UHFFFAOYNA-O,C89H132N19O34,Not Found,2012.13,-18.41989413,27,43,44,12,RNA1,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1041,kanamycin derivative (2K-2),"3-{3-[(carbamoylmethyl)({2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-propylacetamido]-N-propylacetamido}carbonyl)amino]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)N(CCC)C(=O)N(CCC[N+]1=NNC=C1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)C(=O)CCCCCNC(=O)C1=CC(C(O)=O)=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(O)=C2,"InChI=1/C94H140N20O35/c1-3-24-109(41-68(124)113(25-4-2)94(140)111(39-63(99)119)27-11-29-114-46(35-105-107-114)13-9-15-65(121)104-37-60-75(128)79(132)81(134)93(143-60)149-87-56(98)34-54(96)85(83(87)136)147-91-77(130)71(101)73(126)62(43-116)145-91)67(123)40-110(66(122)16-6-5-7-23-102-88(137)44-17-20-49(52(30-44)89(138)139)69-50-21-18-47(117)31-57(50)141-58-32-48(118)19-22-51(58)69)26-10-28-112-38-45(106-108-112)12-8-14-64(120)103-36-59-74(127)78(131)80(133)92(142-59)148-86-55(97)33-53(95)84(82(86)135)146-90-76(129)70(100)72(125)61(42-115)144-90/h17-22,30-32,35,38,53-56,59-62,70-87,90-93,115-116,125-136H,3-16,23-29,33-34,36-37,39-43,95-98,100-101H2,1-2H3,(H7,99,102,103,104,117,118,119,120,121,137,138,139)/p+1",FCHQVPVDSKXIFK-UHFFFAOYNA-O,C94H141N20O35,Not Found,2111.27,-18.42217095,27,44,48,12,RNA1,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1042,kanamycin derivative (2K-3),"3-{3-[(carbamoylmethyl)[(2-{2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-propylacetamido]-N-propylacetamido}-N-propylacetamido)carbonyl]amino]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)N(CCC)CC(=O)N(CCC)C(=O)N(CCC[N+]1=NNC=C1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)C(=O)CCCCCNC(=O)C1=CC(C(O)=O)=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(O)=C2,"InChI=1/C99H149N21O36/c1-4-26-114(43-71(129)115(27-5-2)45-73(131)119(28-6-3)99(147)117(42-67(104)125)30-13-32-120-50(38-110-112-120)15-11-17-69(127)109-40-64-80(135)84(139)86(141)98(150-64)156-92-60(103)37-58(101)90(88(92)143)154-96-82(137)76(106)78(133)66(47-122)152-96)72(130)44-116(70(128)18-8-7-9-25-107-93(144)48-19-22-53(56(33-48)94(145)146)74-54-23-20-51(123)34-61(54)148-62-35-52(124)21-24-55(62)74)29-12-31-118-41-49(111-113-118)14-10-16-68(126)108-39-63-79(134)83(138)85(140)97(149-63)155-91-59(102)36-57(100)89(87(91)142)153-95-81(136)75(105)77(132)65(46-121)151-95/h19-24,33-35,38,41,57-60,63-66,75-92,95-98,121-122,132-143H,4-18,25-32,36-37,39-40,42-47,100-103,105-106H2,1-3H3,(H7,104,107,108,109,123,124,125,126,127,144,145,146)/p+1",FRCBJFSHSQBPQK-UHFFFAOYNA-O,C99H150N21O36,Not Found,2210.4,-18.42444778,27,45,52,12,RNA1,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1043,kanamycin derivative (2K-4),"3-{3-[(carbamoylmethyl)({[2-(2-{2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-propylacetamido]-N-propylacetamido}-N-propylacetamido)-N-propylacetamido]carbonyl})amino]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)N(CCC)CC(=O)N(CCC)C(=O)N(CCC[N+]1=NNC=C1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCC)C(=O)CN(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)C(=O)CCCCCNC(=O)C1=CC(C(O)=O)=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(O)=C2,"InChI=1/C104H158N22O37/c1-5-28-119(47-76(136)121(30-7-3)49-78(138)125(31-8-4)104(154)123(45-71(109)131)33-15-35-126-54(41-115-117-126)17-13-19-73(133)114-43-68-85(142)89(146)91(148)103(157-68)163-97-64(108)40-62(106)95(93(97)150)161-101-87(144)81(111)83(140)70(51-128)159-101)75(135)46-120(29-6-2)77(137)48-122(74(134)20-10-9-11-27-112-98(151)52-21-24-57(60(36-52)99(152)153)79-58-25-22-55(129)37-65(58)155-66-38-56(130)23-26-59(66)79)32-14-34-124-44-53(116-118-124)16-12-18-72(132)113-42-67-84(141)88(145)90(147)102(156-67)162-96-63(107)39-61(105)94(92(96)149)160-100-86(143)80(110)82(139)69(50-127)158-100/h21-26,36-38,41,44,61-64,67-70,80-97,100-103,127-128,139-150H,5-20,27-35,39-40,42-43,45-51,105-108,110-111H2,1-4H3,(H7,109,112,113,114,129,130,131,132,133,151,152,153)/p+1",STEQYMBVTFMNAV-UHFFFAOYNA-O,C104H159N22O37,Not Found,2309.53,-18.4267246,27,46,56,12,RNA1,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1044,kanamycin derivative (2K-6),"3-{3-[(carbamoylmethyl)[(2-{2-[2-(2-{2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-propylacetamido]-N-propylacetamido}-N-propylacetamido)-N-propylacetamido]-N-propylacetamido}-N-propylacetamido)carbonyl]amino]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)C(=O)N(CCC[N+]1=NNC=C1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)C(=O)CCCCCNC(=O)C1=CC(C(O)=O)=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(O)=C2,"InChI=1/C114H176N24O39/c1-7-32-129(53-84(148)131(34-9-3)55-86(150)133(36-11-5)57-88(152)137(37-12-6)114(168)135(51-79(119)143)39-19-41-138-62(47-125-127-138)21-17-23-81(145)124-49-76-95(156)99(160)101(162)113(171-76)177-107-72(118)46-70(116)105(103(107)164)175-111-97(158)91(121)93(154)78(59-140)173-111)83(147)52-130(33-8-2)85(149)54-132(35-10-4)87(151)56-134(82(146)24-14-13-15-31-122-108(165)60-25-28-65(68(42-60)109(166)167)89-66-29-26-63(141)43-73(66)169-74-44-64(142)27-30-67(74)89)38-18-40-136-50-61(126-128-136)20-16-22-80(144)123-48-75-94(155)98(159)100(161)112(170-75)176-106-71(117)45-69(115)104(102(106)163)174-110-96(157)90(120)92(153)77(58-139)172-110/h25-30,42-44,47,50,69-72,75-78,90-107,110-113,139-140,153-164H,7-24,31-41,45-46,48-49,51-59,115-118,120-121H2,1-6H3,(H7,119,122,123,124,141,142,143,144,145,165,166,167)/p+1",WPCUJWXVILUKCZ-UHFFFAOYNA-O,C114H177N24O39,Not Found,2507.8,-18.43127825,27,48,64,12,RNA1,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1045,kanamycin derivative (3K-0),"3-{3-[N-(carbamoylmethyl)-2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]acetamido]acetamido]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",NC1CC(N)C(OC2OC(CNC(=O)CCCC3=CN(CCCN(CC(=O)N(CCCN4C=C(CCCC(=O)NCC5OC(OC6C(N)CC(N)C(OC7OC(CO)C(O)C(N)C7O)C6O)C(O)C(O)C5O)N=N4)CC(=O)N(CCC[N+]4=NNC=C4CCCC(=O)NCC4OC(OC5C(N)CC(N)C(OC6OC(CO)C(O)C(N)C6O)C5O)C(O)C(O)C4O)CC(N)=O)C(=O)CCCCCNC(=O)C4=CC(C(O)=O)=C(C=C4)C4=C5C=CC(=O)C=C5OC5=C4C=CC(O)=C5)N=N3)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C114H174N26O46/c115-58-33-61(118)104(98(168)101(58)181-109-89(159)80(122)83(153)69(45-141)178-109)184-112-95(165)92(162)86(156)66(175-112)37-126-73(147)13-4-10-49-40-138(133-130-49)27-7-24-136(76(150)16-2-1-3-23-125-107(171)48-17-20-54(57(30-48)108(172)173)79-55-21-18-52(144)31-64(55)174-65-32-53(145)19-22-56(65)79)43-78(152)137(25-8-28-139-41-50(131-134-139)11-5-14-74(148)127-38-67-87(157)93(163)96(166)113(176-67)185-105-62(119)34-59(116)102(99(105)169)182-110-90(160)81(123)84(154)70(46-142)179-110)44-77(151)135(42-72(121)146)26-9-29-140-51(36-129-132-140)12-6-15-75(149)128-39-68-88(158)94(164)97(167)114(177-68)186-106-63(120)35-60(117)103(100(106)170)183-111-91(161)82(124)85(155)71(47-143)180-111/h17-22,30-32,36,40-41,58-63,66-71,80-106,109-114,141-143,153-170H,1-16,23-29,33-35,37-39,42-47,115-120,122-124H2,(H8,121,125,126,127,128,144,145,146,147,148,149,171,172,173)/p+1",DSTKEYWGDHCZKM-UHFFFAOYNA-O,C114H175N26O46,Not Found,2645.79,-24.13042533,38,60,59,16,RNA1,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1046,kanamycin derivative (3K-1),"3-{3-[N-(carbamoylmethyl)-2-(2-{2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-propylacetamido]-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]acetamido}-N-propylacetamido)acetamido]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)N(CCC[N+]1=NNC=C1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)C(=O)CN(CCC)C(=O)CN(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)C(=O)CCCCCNC(=O)C1=CC(C(O)=O)=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(O)=C2,"InChI=1/C124H192N28O48/c1-3-28-145(49-87(165)147(48-80(131)158)32-13-35-152-59(42-139-142-152)16-10-19-83(161)138-45-76-98(172)104(178)107(181)124(191-76)200-116-71(130)41-68(127)113(110(116)184)197-121-101(175)92(134)95(169)79(55-155)194-121)86(164)52-149(31-12-34-151-47-58(141-144-151)15-9-18-82(160)137-44-75-97(171)103(177)106(180)123(190-75)199-115-70(129)40-67(126)112(109(115)183)196-120-100(174)91(133)94(168)78(54-154)193-120)88(166)50-146(29-4-2)85(163)51-148(84(162)20-6-5-7-27-135-117(185)56-21-24-62(65(36-56)118(186)187)89-63-25-22-60(156)37-72(63)188-73-38-61(157)23-26-64(73)89)30-11-33-150-46-57(140-143-150)14-8-17-81(159)136-43-74-96(170)102(176)105(179)122(189-74)198-114-69(128)39-66(125)111(108(114)182)195-119-99(173)90(132)93(167)77(53-153)192-119/h21-26,36-38,42,46-47,66-71,74-79,90-116,119-124,153-155,167-184H,3-20,27-35,39-41,43-45,48-55,125-130,132-134H2,1-2H3,(H8,131,135,136,137,138,156,157,158,159,160,161,185,186,187)/p+1",GQIMKIBPRGMKRN-UHFFFAOYNA-O,C124H193N28O48,Not Found,2844.05,-24.13497898,38,62,67,16,RNA1,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1047,kanamycin derivative (3K-2),"3-{3-[N-(carbamoylmethyl)-2-{2-[2-(2-{2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-propylacetamido]-N-propylacetamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]acetamido)-N-propylacetamido]-N-propylacetamido}acetamido]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)N(CCC)CC(=O)N(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC[N+]1=NNC=C1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)C(=O)CCCCCNC(=O)C1=CC(C(O)=O)=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(O)=C2,"InChI=1/C134H210N30O50/c1-5-32-155(95(177)59-160(92(174)24-10-9-11-31-145-127(199)64-25-28-70(73(42-64)128(200)201)99-71-29-26-68(168)43-80(71)202-81-44-69(169)27-30-72(81)99)36-15-39-162-52-65(150-153-162)18-12-21-89(171)146-49-82-106(184)112(190)115(193)132(203-82)212-124-77(138)45-74(135)121(118(124)196)209-129-109(187)100(142)103(181)85(61-165)206-129)55-94(176)158(35-8-4)58-98(180)161(37-16-40-163-53-66(151-154-163)19-13-22-90(172)147-50-83-107(185)113(191)116(194)133(204-83)213-125-78(139)46-75(136)122(119(125)197)210-130-110(188)101(143)104(182)86(62-166)207-130)60-96(178)156(33-6-2)56-93(175)157(34-7-3)57-97(179)159(54-88(141)170)38-17-41-164-67(48-149-152-164)20-14-23-91(173)148-51-84-108(186)114(192)117(195)134(205-84)214-126-79(140)47-76(137)123(120(126)198)211-131-111(189)102(144)105(183)87(63-167)208-131/h25-30,42-44,48,52-53,74-79,82-87,100-126,129-134,165-167,181-198H,5-24,31-41,45-47,49-51,54-63,135-140,142-144H2,1-4H3,(H8,141,145,146,147,148,168,169,170,171,172,173,199,200,201)/p+1",HKRBERUIVIBYPB-UHFFFAOYNA-O,C134H211N30O50,Not Found,3042.32,-24.13953262,38,64,75,16,RNA1,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1048,kanamycin derivative (3K-3),"3-{3-[N-(carbamoylmethyl)-2-[2-(2-{2-[2-(2-{2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-propylacetamido]-N-propylacetamido}-N-propylacetamido)-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]acetamido]-N-propylacetamido}-N-propylacetamido)-N-propylacetamido]acetamido]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)N(CCC)CC(=O)N(CCC[N+]1=NNC=C1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCC)C(=O)CN(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)C(=O)CCCCCNC(=O)C1=CC(C(O)=O)=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(O)=C2,"InChI=1/C144H228N32O52/c1-7-36-165(61-103(189)169(40-11-5)65-107(193)171(60-96(151)182)44-21-47-176-75(54-159-162-176)24-18-27-99(185)158-57-92-118(200)124(206)127(209)144(219-92)228-136-87(150)53-84(147)133(130(136)212)225-141-121(203)112(154)115(197)95(71-179)222-141)102(188)64-168(39-10-4)106(192)68-173(43-20-46-175-59-74(161-164-175)23-17-26-98(184)157-56-91-117(199)123(205)126(208)143(218-91)227-135-86(149)52-83(146)132(129(135)211)224-140-120(202)111(153)114(196)94(70-178)221-140)108(194)66-170(41-12-6)104(190)62-166(37-8-2)101(187)63-167(38-9-3)105(191)67-172(100(186)28-14-13-15-35-155-137(213)72-29-32-78(81(48-72)138(214)215)109-79-33-30-76(180)49-88(79)216-89-50-77(181)31-34-80(89)109)42-19-45-174-58-73(160-163-174)22-16-25-97(183)156-55-90-116(198)122(204)125(207)142(217-90)226-134-85(148)51-82(145)131(128(134)210)223-139-119(201)110(152)113(195)93(69-177)220-139/h29-34,48-50,54,58-59,82-87,90-95,110-136,139-144,177-179,195-212H,7-28,35-47,51-53,55-57,60-71,145-150,152-154H2,1-6H3,(H8,151,155,156,157,158,180,181,182,183,184,185,213,214,215)/p+1",IQGWAWCQLCBCQH-UHFFFAOYNA-O,C144H229N32O52,Not Found,3240.59,-24.14408627,38,66,83,16,RNA1,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1049,kanamycin derivative (3K-4),"3-{3-[N-(carbamoylmethyl)-2-(2-{2-[2-(2-{2-[2-(2-{2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-propylacetamido]-N-propylacetamido}-N-propylacetamido)-N-propylacetamido]-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]acetamido}-N-propylacetamido)-N-propylacetamido]-N-propylacetamido}-N-propylacetamido)acetamido]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC[N+]1=NNC=C1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCC)C(=O)CN(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)C(=O)CCCCCNC(=O)C1=CC(C(O)=O)=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(O)=C2,"InChI=1/C154H246N34O54/c1-9-40-175(111(201)71-179(44-13-5)115(205)75-184(108(198)32-18-17-19-39-165-147(227)80-33-36-86(89(54-80)148(228)229)119-87-37-34-84(192)55-96(87)230-97-56-85(193)35-38-88(97)119)48-23-51-186-64-81(170-173-186)26-20-29-105(195)166-61-98-126(212)132(218)135(221)152(231-98)240-144-93(158)57-90(155)141(138(144)224)237-149-129(215)120(162)123(209)101(77-189)234-149)67-110(200)178(43-12-4)70-114(204)182(47-16-8)74-118(208)185(49-24-52-187-65-82(171-174-187)27-21-30-106(196)167-62-99-127(213)133(219)136(222)153(232-99)241-145-94(159)58-91(156)142(139(145)225)238-150-130(216)121(163)124(210)102(78-190)235-150)76-116(206)180(45-14-6)72-112(202)176(41-10-2)68-109(199)177(42-11-3)69-113(203)181(46-15-7)73-117(207)183(66-104(161)194)50-25-53-188-83(60-169-172-188)28-22-31-107(197)168-63-100-128(214)134(220)137(223)154(233-100)242-146-95(160)59-92(157)143(140(146)226)239-151-131(217)122(164)125(211)103(79-191)236-151/h33-38,54-56,60,64-65,90-95,98-103,120-146,149-154,189-191,209-226H,9-32,39-53,57-59,61-63,66-79,155-160,162-164H2,1-8H3,(H8,161,165,166,167,168,192,193,194,195,196,197,227,228,229)/p+1",RGUXORHJAPWXCL-UHFFFAOYNA-O,C154H247N34O54,Not Found,3438.85,-24.14863992,38,68,91,16,RNA1,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1050,kanamycin derivative (4K-0),"3-{3-[N-(carbamoylmethyl)-2-{2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]acetamido]-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]acetamido}acetamido]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium; ethane",CC.NC1CC(N)C(OC2OC(CNC(=O)CCCC3=CN(CCCN(CC(=O)N(CCCN4C=C(CCCC(=O)NCC5OC(OC6C(N)CC(N)C(OC7OC(CO)C(O)C(N)C7O)C6O)C(O)C(O)C5O)N=N4)CC(=O)N(CCCN4C=C(CCCC(=O)NCC5OC(OC6C(N)CC(N)C(OC7OC(CO)C(O)C(N)C7O)C6O)C(O)C(O)C5O)N=N4)CC(=O)N(CCC[N+]4=NNC=C4CCCC(=O)NCC4OC(OC5C(N)CC(N)C(OC6OC(CO)C(O)C(N)C6O)C5O)C(O)C(O)C4O)CC(N)=O)C(=O)CCCCCNC(=O)C4=CC(C(O)=O)=C(C=C4)C4=C5C=CC(=O)C=C5OC5=C4C=CC(O)=C5)N=N3)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C143H224N34O59.C2H6/c144-70-39-74(148)130(122(213)126(70)229-136-110(201)98(153)102(193)84(55-178)225-136)233-140-118(209)114(205)106(197)80(221-140)44-158-89(185)16-4-12-60-48-174(167-163-60)32-8-28-171(93(189)20-2-1-3-27-157-134(217)59-21-24-66(69(36-59)135(218)219)97-67-25-22-64(182)37-78(67)220-79-38-65(183)23-26-68(79)97)52-95(191)173(30-10-34-176-50-62(165-169-176)14-6-18-91(187)160-46-82-108(199)116(207)120(211)142(223-82)235-132-76(150)41-72(146)128(124(132)215)231-138-112(203)100(155)104(195)86(57-180)227-138)54-96(192)172(29-9-33-175-49-61(164-168-175)13-5-17-90(186)159-45-81-107(198)115(206)119(210)141(222-81)234-131-75(149)40-71(145)127(123(131)214)230-137-111(202)99(154)103(194)85(56-179)226-137)53-94(190)170(51-88(152)184)31-11-35-177-63(43-162-166-177)15-7-19-92(188)161-47-83-109(200)117(208)121(212)143(224-83)236-133-77(151)42-73(147)129(125(133)216)232-139-113(204)101(156)105(196)87(58-181)228-139;1-2/h21-26,36-38,43,48-50,70-77,80-87,98-133,136-143,178-181,193-216H,1-20,27-35,39-42,44-47,51-58,144-151,153-156H2,(H9,152,157,158,159,160,161,182,183,184,185,186,187,188,217,218,219);1-2H3/p+1",OYFVEPAFWCJBGR-UHFFFAOYNA-O,C145H231N34O59,Not Found,3394.62,-31.73173587,49,78,76,20,RNA1,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1051,kanamycin derivative (4K-1),"3-{3-[N-(carbamoylmethyl)-2-{2-[2-(2-{2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-propylacetamido]-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]acetamido}-N-propylacetamido)-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]acetamido]-N-propylacetamido}acetamido]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)N(CCC[N+]1=NNC=C1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)C(=O)CN(CCC)C(=O)CN(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)C(=O)CN(CCC)C(=O)CN(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)C(=O)CCCCCNC(=O)C1=CC(C(O)=O)=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(O)=C2,"InChI=1/C158H251N37O62/c1-4-34-185(61-109(211)188(60-100(167)202)40-17-44-195-75(52-177-181-195)21-13-25-104(206)176-56-95-124(221)132(229)136(233)158(245-95)257-148-89(166)51-85(162)144(140(148)237)253-154-128(225)116(171)120(217)99(70-199)249-154)107(209)65-190(38-15-42-193-58-73(179-183-193)19-11-23-102(204)174-54-93-122(219)130(227)134(231)156(243-93)255-146-87(164)49-83(160)142(138(146)235)251-152-126(223)114(169)118(215)97(68-197)247-152)111(213)63-187(36-6-3)108(210)66-191(39-16-43-194-59-74(180-184-194)20-12-24-103(205)175-55-94-123(220)131(228)135(232)157(244-94)256-147-88(165)50-84(161)143(139(147)236)252-153-127(224)115(170)119(216)98(69-198)248-153)110(212)62-186(35-5-2)106(208)64-189(105(207)26-8-7-9-33-172-149(238)71-27-30-78(81(45-71)150(239)240)112-79-31-28-76(200)46-90(79)241-91-47-77(201)29-32-80(91)112)37-14-41-192-57-72(178-182-192)18-10-22-101(203)173-53-92-121(218)129(226)133(230)155(242-92)254-145-86(163)48-82(159)141(137(145)234)250-151-125(222)113(168)117(214)96(67-196)246-151/h27-32,45-47,52,57-59,82-89,92-99,113-148,151-158,196-199,214-237H,4-26,33-44,48-51,53-56,60-70,159-166,168-171H2,1-3H3,(H9,167,172,173,174,175,176,200,201,202,203,204,205,206,238,239,240)/p+1",NWCZTQIMWNSJJB-UHFFFAOYNA-O,C158H252N37O62,Not Found,3661.95,-31.73856634,49,81,88,20,RNA1,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1052,kanamycin derivative (4K-2),,CCCN(CC(=O)N(CCC)CC(=O)N(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC[N+]1=NNC=C1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)C(=O)CCCCCNC(=O)C1=CC(C(O)=O)=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(O)=C2,"InChI=1/C173H278N40O65/c1-7-40-200(121(229)76-207(117(225)32-14-13-15-39-187-164(259)83-33-36-90(93(54-83)165(260)261)127-91-37-34-88(218)55-102(91)262-103-56-89(219)35-38-92(103)127)46-20-50-210-66-84(193-197-210)24-16-28-113(221)188-62-104-136(239)144(247)148(251)170(263-104)275-160-98(178)57-94(174)156(152(160)255)271-166-140(243)128(183)132(235)108(79-214)267-166)70-119(227)204(44-11-5)74-125(233)209(48-22-52-212-68-86(195-199-212)26-18-30-115(223)190-64-106-138(241)146(249)150(253)172(265-106)277-162-100(180)59-96(176)158(154(162)257)273-168-142(245)130(185)134(237)110(81-216)269-168)78-123(231)202(42-9-3)72-120(228)205(45-12-6)75-126(234)208(47-21-51-211-67-85(194-198-211)25-17-29-114(222)189-63-105-137(240)145(248)149(252)171(264-105)276-161-99(179)58-95(175)157(153(161)256)272-167-141(244)129(184)133(236)109(80-215)268-167)77-122(230)201(41-8-2)71-118(226)203(43-10-4)73-124(232)206(69-112(182)220)49-23-53-213-87(61-192-196-213)27-19-31-116(224)191-65-107-139(242)147(250)151(254)173(266-107)278-163-101(181)60-97(177)159(155(163)258)274-169-143(246)131(186)135(238)111(82-217)270-169/h33-38,54-56,61,66-68,94-101,104-111,128-163,166-173,214-217,235-258H,7-32,39-53,57-60,62-65,69-82,174-181,183-186H2,1-6H3,(H9,182,187,188,189,190,191,218,219,220,221,222,223,224,259,260,261)/p+1",JPKKTWDDASZUQJ-UHFFFAOYNA-O,C173H279N40O65,Not Found,3959.35,-31.74539682,49,84,100,20,RNA1,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1053,kanamycin derivative (FITC-K),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA3,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,72566866,No,No,,,,
DBoRL1054,kanamycin derivative (2K-2),"3-{3-[(carbamoylmethyl)({2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-propylacetamido]-N-propylacetamido}carbonyl)amino]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)N(CCC)C(=O)N(CCC[N+]1=NNC=C1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)C(=O)CCCCCNC(=O)C1=CC(C(O)=O)=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(O)=C2,"InChI=1/C94H140N20O35/c1-3-24-109(41-68(124)113(25-4-2)94(140)111(39-63(99)119)27-11-29-114-46(35-105-107-114)13-9-15-65(121)104-37-60-75(128)79(132)81(134)93(143-60)149-87-56(98)34-54(96)85(83(87)136)147-91-77(130)71(101)73(126)62(43-116)145-91)67(123)40-110(66(122)16-6-5-7-23-102-88(137)44-17-20-49(52(30-44)89(138)139)69-50-21-18-47(117)31-57(50)141-58-32-48(118)19-22-51(58)69)26-10-28-112-38-45(106-108-112)12-8-14-64(120)103-36-59-74(127)78(131)80(133)92(142-59)148-86-55(97)33-53(95)84(82(86)135)146-90-76(129)70(100)72(125)61(42-115)144-90/h17-22,30-32,35,38,53-56,59-62,70-87,90-93,115-116,125-136H,3-16,23-29,33-34,36-37,39-43,95-98,100-101H2,1-2H3,(H7,99,102,103,104,117,118,119,120,121,137,138,139)/p+1",FCHQVPVDSKXIFK-UHFFFAOYNA-O,C94H141N20O35,Not Found,2111.27,-18.42217095,27,44,48,12,RNA3,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1055,kanamycin derivative (3K-2),"3-{3-[N-(carbamoylmethyl)-2-{2-[2-(2-{2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-propylacetamido]-N-propylacetamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]acetamido)-N-propylacetamido]-N-propylacetamido}acetamido]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)N(CCC)CC(=O)N(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC[N+]1=NNC=C1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)C(=O)CCCCCNC(=O)C1=CC(C(O)=O)=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(O)=C2,"InChI=1/C134H210N30O50/c1-5-32-155(95(177)59-160(92(174)24-10-9-11-31-145-127(199)64-25-28-70(73(42-64)128(200)201)99-71-29-26-68(168)43-80(71)202-81-44-69(169)27-30-72(81)99)36-15-39-162-52-65(150-153-162)18-12-21-89(171)146-49-82-106(184)112(190)115(193)132(203-82)212-124-77(138)45-74(135)121(118(124)196)209-129-109(187)100(142)103(181)85(61-165)206-129)55-94(176)158(35-8-4)58-98(180)161(37-16-40-163-53-66(151-154-163)19-13-22-90(172)147-50-83-107(185)113(191)116(194)133(204-83)213-125-78(139)46-75(136)122(119(125)197)210-130-110(188)101(143)104(182)86(62-166)207-130)60-96(178)156(33-6-2)56-93(175)157(34-7-3)57-97(179)159(54-88(141)170)38-17-41-164-67(48-149-152-164)20-14-23-91(173)148-51-84-108(186)114(192)117(195)134(205-84)214-126-79(140)47-76(137)123(120(126)198)211-131-111(189)102(144)105(183)87(63-167)208-131/h25-30,42-44,48,52-53,74-79,82-87,100-126,129-134,165-167,181-198H,5-24,31-41,45-47,49-51,54-63,135-140,142-144H2,1-4H3,(H8,141,145,146,147,148,168,169,170,171,172,173,199,200,201)/p+1",HKRBERUIVIBYPB-UHFFFAOYNA-O,C134H211N30O50,Not Found,3042.32,-24.13953262,38,64,75,16,RNA3,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1056,kanamycin derivative (4K-2),,CCCN(CC(=O)N(CCC)CC(=O)N(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC[N+]1=NNC=C1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)C(=O)CCCCCNC(=O)C1=CC(C(O)=O)=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(O)=C2,"InChI=1/C173H278N40O65/c1-7-40-200(121(229)76-207(117(225)32-14-13-15-39-187-164(259)83-33-36-90(93(54-83)165(260)261)127-91-37-34-88(218)55-102(91)262-103-56-89(219)35-38-92(103)127)46-20-50-210-66-84(193-197-210)24-16-28-113(221)188-62-104-136(239)144(247)148(251)170(263-104)275-160-98(178)57-94(174)156(152(160)255)271-166-140(243)128(183)132(235)108(79-214)267-166)70-119(227)204(44-11-5)74-125(233)209(48-22-52-212-68-86(195-199-212)26-18-30-115(223)190-64-106-138(241)146(249)150(253)172(265-106)277-162-100(180)59-96(176)158(154(162)257)273-168-142(245)130(185)134(237)110(81-216)269-168)78-123(231)202(42-9-3)72-120(228)205(45-12-6)75-126(234)208(47-21-51-211-67-85(194-198-211)25-17-29-114(222)189-63-105-137(240)145(248)149(252)171(264-105)276-161-99(179)58-95(175)157(153(161)256)272-167-141(244)129(184)133(236)109(80-215)268-167)77-122(230)201(41-8-2)71-118(226)203(43-10-4)73-124(232)206(69-112(182)220)49-23-53-213-87(61-192-196-213)27-19-31-116(224)191-65-107-139(242)147(250)151(254)173(266-107)278-163-101(181)60-97(177)159(155(163)258)274-169-143(246)131(186)135(238)111(82-217)270-169/h33-38,54-56,61,66-68,94-101,104-111,128-163,166-173,214-217,235-258H,7-32,39-53,57-60,62-65,69-82,174-181,183-186H2,1-6H3,(H9,182,187,188,189,190,191,218,219,220,221,222,223,224,259,260,261)/p+1",JPKKTWDDASZUQJ-UHFFFAOYNA-O,C173H279N40O65,Not Found,3959.35,-31.74539682,49,84,100,20,RNA3,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1057,kanamycin derivative (FITC-K),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA4,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,72566866,No,No,,,,
DBoRL1058,kanamycin derivative (2K-2),"3-{3-[(carbamoylmethyl)({2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-propylacetamido]-N-propylacetamido}carbonyl)amino]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)N(CCC)C(=O)N(CCC[N+]1=NNC=C1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)C(=O)CCCCCNC(=O)C1=CC(C(O)=O)=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(O)=C2,"InChI=1/C94H140N20O35/c1-3-24-109(41-68(124)113(25-4-2)94(140)111(39-63(99)119)27-11-29-114-46(35-105-107-114)13-9-15-65(121)104-37-60-75(128)79(132)81(134)93(143-60)149-87-56(98)34-54(96)85(83(87)136)147-91-77(130)71(101)73(126)62(43-116)145-91)67(123)40-110(66(122)16-6-5-7-23-102-88(137)44-17-20-49(52(30-44)89(138)139)69-50-21-18-47(117)31-57(50)141-58-32-48(118)19-22-51(58)69)26-10-28-112-38-45(106-108-112)12-8-14-64(120)103-36-59-74(127)78(131)80(133)92(142-59)148-86-55(97)33-53(95)84(82(86)135)146-90-76(129)70(100)72(125)61(42-115)144-90/h17-22,30-32,35,38,53-56,59-62,70-87,90-93,115-116,125-136H,3-16,23-29,33-34,36-37,39-43,95-98,100-101H2,1-2H3,(H7,99,102,103,104,117,118,119,120,121,137,138,139)/p+1",FCHQVPVDSKXIFK-UHFFFAOYNA-O,C94H141N20O35,Not Found,2111.27,-18.42217095,27,44,48,12,RNA4,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1059,kanamycin derivative (3K-2),"3-{3-[N-(carbamoylmethyl)-2-{2-[2-(2-{2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-propylacetamido]-N-propylacetamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]acetamido)-N-propylacetamido]-N-propylacetamido}acetamido]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)N(CCC)CC(=O)N(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC[N+]1=NNC=C1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)C(=O)CCCCCNC(=O)C1=CC(C(O)=O)=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(O)=C2,"InChI=1/C134H210N30O50/c1-5-32-155(95(177)59-160(92(174)24-10-9-11-31-145-127(199)64-25-28-70(73(42-64)128(200)201)99-71-29-26-68(168)43-80(71)202-81-44-69(169)27-30-72(81)99)36-15-39-162-52-65(150-153-162)18-12-21-89(171)146-49-82-106(184)112(190)115(193)132(203-82)212-124-77(138)45-74(135)121(118(124)196)209-129-109(187)100(142)103(181)85(61-165)206-129)55-94(176)158(35-8-4)58-98(180)161(37-16-40-163-53-66(151-154-163)19-13-22-90(172)147-50-83-107(185)113(191)116(194)133(204-83)213-125-78(139)46-75(136)122(119(125)197)210-130-110(188)101(143)104(182)86(62-166)207-130)60-96(178)156(33-6-2)56-93(175)157(34-7-3)57-97(179)159(54-88(141)170)38-17-41-164-67(48-149-152-164)20-14-23-91(173)148-51-84-108(186)114(192)117(195)134(205-84)214-126-79(140)47-76(137)123(120(126)198)211-131-111(189)102(144)105(183)87(63-167)208-131/h25-30,42-44,48,52-53,74-79,82-87,100-126,129-134,165-167,181-198H,5-24,31-41,45-47,49-51,54-63,135-140,142-144H2,1-4H3,(H8,141,145,146,147,148,168,169,170,171,172,173,199,200,201)/p+1",HKRBERUIVIBYPB-UHFFFAOYNA-O,C134H211N30O50,Not Found,3042.32,-24.13953262,38,64,75,16,RNA4,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1060,kanamycin derivative (4K-2),,CCCN(CC(=O)N(CCC)CC(=O)N(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC[N+]1=NNC=C1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)C(=O)CCCCCNC(=O)C1=CC(C(O)=O)=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(O)=C2,"InChI=1/C173H278N40O65/c1-7-40-200(121(229)76-207(117(225)32-14-13-15-39-187-164(259)83-33-36-90(93(54-83)165(260)261)127-91-37-34-88(218)55-102(91)262-103-56-89(219)35-38-92(103)127)46-20-50-210-66-84(193-197-210)24-16-28-113(221)188-62-104-136(239)144(247)148(251)170(263-104)275-160-98(178)57-94(174)156(152(160)255)271-166-140(243)128(183)132(235)108(79-214)267-166)70-119(227)204(44-11-5)74-125(233)209(48-22-52-212-68-86(195-199-212)26-18-30-115(223)190-64-106-138(241)146(249)150(253)172(265-106)277-162-100(180)59-96(176)158(154(162)257)273-168-142(245)130(185)134(237)110(81-216)269-168)78-123(231)202(42-9-3)72-120(228)205(45-12-6)75-126(234)208(47-21-51-211-67-85(194-198-211)25-17-29-114(222)189-63-105-137(240)145(248)149(252)171(264-105)276-161-99(179)58-95(175)157(153(161)256)272-167-141(244)129(184)133(236)109(80-215)268-167)77-122(230)201(41-8-2)71-118(226)203(43-10-4)73-124(232)206(69-112(182)220)49-23-53-213-87(61-192-196-213)27-19-31-116(224)191-65-107-139(242)147(250)151(254)173(266-107)278-163-101(181)60-97(177)159(155(163)258)274-169-143(246)131(186)135(238)111(82-217)270-169/h33-38,54-56,61,66-68,94-101,104-111,128-163,166-173,214-217,235-258H,7-32,39-53,57-60,62-65,69-82,174-181,183-186H2,1-6H3,(H9,182,187,188,189,190,191,218,219,220,221,222,223,224,259,260,261)/p+1",JPKKTWDDASZUQJ-UHFFFAOYNA-O,C173H279N40O65,Not Found,3959.35,-31.74539682,49,84,100,20,RNA4,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1061,kanamycin derivative (FITC-K),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA5,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,72566866,No,No,,,,
DBoRL1062,kanamycin derivative (4K-2),,CCCN(CC(=O)N(CCC)CC(=O)N(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC[N+]1=NNC=C1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)C(=O)CCCCCNC(=O)C1=CC(C(O)=O)=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(O)=C2,"InChI=1/C173H278N40O65/c1-7-40-200(121(229)76-207(117(225)32-14-13-15-39-187-164(259)83-33-36-90(93(54-83)165(260)261)127-91-37-34-88(218)55-102(91)262-103-56-89(219)35-38-92(103)127)46-20-50-210-66-84(193-197-210)24-16-28-113(221)188-62-104-136(239)144(247)148(251)170(263-104)275-160-98(178)57-94(174)156(152(160)255)271-166-140(243)128(183)132(235)108(79-214)267-166)70-119(227)204(44-11-5)74-125(233)209(48-22-52-212-68-86(195-199-212)26-18-30-115(223)190-64-106-138(241)146(249)150(253)172(265-106)277-162-100(180)59-96(176)158(154(162)257)273-168-142(245)130(185)134(237)110(81-216)269-168)78-123(231)202(42-9-3)72-120(228)205(45-12-6)75-126(234)208(47-21-51-211-67-85(194-198-211)25-17-29-114(222)189-63-105-137(240)145(248)149(252)171(264-105)276-161-99(179)58-95(175)157(153(161)256)272-167-141(244)129(184)133(236)109(80-215)268-167)77-122(230)201(41-8-2)71-118(226)203(43-10-4)73-124(232)206(69-112(182)220)49-23-53-213-87(61-192-196-213)27-19-31-116(224)191-65-107-139(242)147(250)151(254)173(266-107)278-163-101(181)60-97(177)159(155(163)258)274-169-143(246)131(186)135(238)111(82-217)270-169/h33-38,54-56,61,66-68,94-101,104-111,128-163,166-173,214-217,235-258H,7-32,39-53,57-60,62-65,69-82,174-181,183-186H2,1-6H3,(H9,182,187,188,189,190,191,218,219,220,221,222,223,224,259,260,261)/p+1",JPKKTWDDASZUQJ-UHFFFAOYNA-O,C173H279N40O65,Not Found,3959.35,-31.74539682,49,84,100,20,RNA5,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1063,kanamycin derivative (FITC-K),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA6,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,72566866,No,No,,,,
DBoRL1064,kanamycin derivative (2K-2),"3-{3-[(carbamoylmethyl)({2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-propylacetamido]-N-propylacetamido}carbonyl)amino]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)N(CCC)C(=O)N(CCC[N+]1=NNC=C1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)C(=O)CCCCCNC(=O)C1=CC(C(O)=O)=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(O)=C2,"InChI=1/C94H140N20O35/c1-3-24-109(41-68(124)113(25-4-2)94(140)111(39-63(99)119)27-11-29-114-46(35-105-107-114)13-9-15-65(121)104-37-60-75(128)79(132)81(134)93(143-60)149-87-56(98)34-54(96)85(83(87)136)147-91-77(130)71(101)73(126)62(43-116)145-91)67(123)40-110(66(122)16-6-5-7-23-102-88(137)44-17-20-49(52(30-44)89(138)139)69-50-21-18-47(117)31-57(50)141-58-32-48(118)19-22-51(58)69)26-10-28-112-38-45(106-108-112)12-8-14-64(120)103-36-59-74(127)78(131)80(133)92(142-59)148-86-55(97)33-53(95)84(82(86)135)146-90-76(129)70(100)72(125)61(42-115)144-90/h17-22,30-32,35,38,53-56,59-62,70-87,90-93,115-116,125-136H,3-16,23-29,33-34,36-37,39-43,95-98,100-101H2,1-2H3,(H7,99,102,103,104,117,118,119,120,121,137,138,139)/p+1",FCHQVPVDSKXIFK-UHFFFAOYNA-O,C94H141N20O35,Not Found,2111.27,-18.42217095,27,44,48,12,RNA6,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1065,kanamycin derivative (3K-2),"3-{3-[N-(carbamoylmethyl)-2-{2-[2-(2-{2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-propylacetamido]-N-propylacetamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]acetamido)-N-propylacetamido]-N-propylacetamido}acetamido]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)N(CCC)CC(=O)N(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC[N+]1=NNC=C1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)C(=O)CCCCCNC(=O)C1=CC(C(O)=O)=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(O)=C2,"InChI=1/C134H210N30O50/c1-5-32-155(95(177)59-160(92(174)24-10-9-11-31-145-127(199)64-25-28-70(73(42-64)128(200)201)99-71-29-26-68(168)43-80(71)202-81-44-69(169)27-30-72(81)99)36-15-39-162-52-65(150-153-162)18-12-21-89(171)146-49-82-106(184)112(190)115(193)132(203-82)212-124-77(138)45-74(135)121(118(124)196)209-129-109(187)100(142)103(181)85(61-165)206-129)55-94(176)158(35-8-4)58-98(180)161(37-16-40-163-53-66(151-154-163)19-13-22-90(172)147-50-83-107(185)113(191)116(194)133(204-83)213-125-78(139)46-75(136)122(119(125)197)210-130-110(188)101(143)104(182)86(62-166)207-130)60-96(178)156(33-6-2)56-93(175)157(34-7-3)57-97(179)159(54-88(141)170)38-17-41-164-67(48-149-152-164)20-14-23-91(173)148-51-84-108(186)114(192)117(195)134(205-84)214-126-79(140)47-76(137)123(120(126)198)211-131-111(189)102(144)105(183)87(63-167)208-131/h25-30,42-44,48,52-53,74-79,82-87,100-126,129-134,165-167,181-198H,5-24,31-41,45-47,49-51,54-63,135-140,142-144H2,1-4H3,(H8,141,145,146,147,148,168,169,170,171,172,173,199,200,201)/p+1",HKRBERUIVIBYPB-UHFFFAOYNA-O,C134H211N30O50,Not Found,3042.32,-24.13953262,38,64,75,16,RNA6,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1066,kanamycin derivative (4K-2),,CCCN(CC(=O)N(CCC)CC(=O)N(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC[N+]1=NNC=C1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)C(=O)CCCCCNC(=O)C1=CC(C(O)=O)=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(O)=C2,"InChI=1/C173H278N40O65/c1-7-40-200(121(229)76-207(117(225)32-14-13-15-39-187-164(259)83-33-36-90(93(54-83)165(260)261)127-91-37-34-88(218)55-102(91)262-103-56-89(219)35-38-92(103)127)46-20-50-210-66-84(193-197-210)24-16-28-113(221)188-62-104-136(239)144(247)148(251)170(263-104)275-160-98(178)57-94(174)156(152(160)255)271-166-140(243)128(183)132(235)108(79-214)267-166)70-119(227)204(44-11-5)74-125(233)209(48-22-52-212-68-86(195-199-212)26-18-30-115(223)190-64-106-138(241)146(249)150(253)172(265-106)277-162-100(180)59-96(176)158(154(162)257)273-168-142(245)130(185)134(237)110(81-216)269-168)78-123(231)202(42-9-3)72-120(228)205(45-12-6)75-126(234)208(47-21-51-211-67-85(194-198-211)25-17-29-114(222)189-63-105-137(240)145(248)149(252)171(264-105)276-161-99(179)58-95(175)157(153(161)256)272-167-141(244)129(184)133(236)109(80-215)268-167)77-122(230)201(41-8-2)71-118(226)203(43-10-4)73-124(232)206(69-112(182)220)49-23-53-213-87(61-192-196-213)27-19-31-116(224)191-65-107-139(242)147(250)151(254)173(266-107)278-163-101(181)60-97(177)159(155(163)258)274-169-143(246)131(186)135(238)111(82-217)270-169/h33-38,54-56,61,66-68,94-101,104-111,128-163,166-173,214-217,235-258H,7-32,39-53,57-60,62-65,69-82,174-181,183-186H2,1-6H3,(H9,182,187,188,189,190,191,218,219,220,221,222,223,224,259,260,261)/p+1",JPKKTWDDASZUQJ-UHFFFAOYNA-O,C173H279N40O65,Not Found,3959.35,-31.74539682,49,84,100,20,RNA6,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1067,kanamycin derivative (FITC-K),"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)hex-5-ynamide",NC1CC(N)C(OC2OC(CNC(=O)CCCC#C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C24H42N4O12/c1-2-3-4-5-13(30)28-7-11-16(32)18(34)19(35)24(37-11)40-22-10(26)6-9(25)21(20(22)36)39-23-17(33)14(27)15(31)12(8-29)38-23/h1,9-12,14-24,29,31-36H,3-8,25-27H2,(H,28,30)",RZZNPWWJPOVAGZ-UHFFFAOYNA-N,C24H42N4O12,Not Found,578.616,-6.014979768,11,15,10,3,RNA7,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,72566866,No,No,,,,
DBoRL1068,kanamycin derivative (2K-2),"3-{3-[(carbamoylmethyl)({2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-propylacetamido]-N-propylacetamido}carbonyl)amino]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)N(CCC)C(=O)N(CCC[N+]1=NNC=C1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)C(=O)CCCCCNC(=O)C1=CC(C(O)=O)=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(O)=C2,"InChI=1/C94H140N20O35/c1-3-24-109(41-68(124)113(25-4-2)94(140)111(39-63(99)119)27-11-29-114-46(35-105-107-114)13-9-15-65(121)104-37-60-75(128)79(132)81(134)93(143-60)149-87-56(98)34-54(96)85(83(87)136)147-91-77(130)71(101)73(126)62(43-116)145-91)67(123)40-110(66(122)16-6-5-7-23-102-88(137)44-17-20-49(52(30-44)89(138)139)69-50-21-18-47(117)31-57(50)141-58-32-48(118)19-22-51(58)69)26-10-28-112-38-45(106-108-112)12-8-14-64(120)103-36-59-74(127)78(131)80(133)92(142-59)148-86-55(97)33-53(95)84(82(86)135)146-90-76(129)70(100)72(125)61(42-115)144-90/h17-22,30-32,35,38,53-56,59-62,70-87,90-93,115-116,125-136H,3-16,23-29,33-34,36-37,39-43,95-98,100-101H2,1-2H3,(H7,99,102,103,104,117,118,119,120,121,137,138,139)/p+1",FCHQVPVDSKXIFK-UHFFFAOYNA-O,C94H141N20O35,Not Found,2111.27,-18.42217095,27,44,48,12,RNA7,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1069,kanamycin derivative (3K-2),"3-{3-[N-(carbamoylmethyl)-2-{2-[2-(2-{2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-propylacetamido]-N-propylacetamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]acetamido)-N-propylacetamido]-N-propylacetamido}acetamido]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)N(CCC)CC(=O)N(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC[N+]1=NNC=C1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)C(=O)CCCCCNC(=O)C1=CC(C(O)=O)=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(O)=C2,"InChI=1/C134H210N30O50/c1-5-32-155(95(177)59-160(92(174)24-10-9-11-31-145-127(199)64-25-28-70(73(42-64)128(200)201)99-71-29-26-68(168)43-80(71)202-81-44-69(169)27-30-72(81)99)36-15-39-162-52-65(150-153-162)18-12-21-89(171)146-49-82-106(184)112(190)115(193)132(203-82)212-124-77(138)45-74(135)121(118(124)196)209-129-109(187)100(142)103(181)85(61-165)206-129)55-94(176)158(35-8-4)58-98(180)161(37-16-40-163-53-66(151-154-163)19-13-22-90(172)147-50-83-107(185)113(191)116(194)133(204-83)213-125-78(139)46-75(136)122(119(125)197)210-130-110(188)101(143)104(182)86(62-166)207-130)60-96(178)156(33-6-2)56-93(175)157(34-7-3)57-97(179)159(54-88(141)170)38-17-41-164-67(48-149-152-164)20-14-23-91(173)148-51-84-108(186)114(192)117(195)134(205-84)214-126-79(140)47-76(137)123(120(126)198)211-131-111(189)102(144)105(183)87(63-167)208-131/h25-30,42-44,48,52-53,74-79,82-87,100-126,129-134,165-167,181-198H,5-24,31-41,45-47,49-51,54-63,135-140,142-144H2,1-4H3,(H8,141,145,146,147,148,168,169,170,171,172,173,199,200,201)/p+1",HKRBERUIVIBYPB-UHFFFAOYNA-O,C134H211N30O50,Not Found,3042.32,-24.13953262,38,64,75,16,RNA7,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1070,kanamycin derivative (4K-2),,CCCN(CC(=O)N(CCC)CC(=O)N(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC[N+]1=NNC=C1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCCN1C=C(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)N=N1)C(=O)CCCCCNC(=O)C1=CC(C(O)=O)=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(O)=C2,"InChI=1/C173H278N40O65/c1-7-40-200(121(229)76-207(117(225)32-14-13-15-39-187-164(259)83-33-36-90(93(54-83)165(260)261)127-91-37-34-88(218)55-102(91)262-103-56-89(219)35-38-92(103)127)46-20-50-210-66-84(193-197-210)24-16-28-113(221)188-62-104-136(239)144(247)148(251)170(263-104)275-160-98(178)57-94(174)156(152(160)255)271-166-140(243)128(183)132(235)108(79-214)267-166)70-119(227)204(44-11-5)74-125(233)209(48-22-52-212-68-86(195-199-212)26-18-30-115(223)190-64-106-138(241)146(249)150(253)172(265-106)277-162-100(180)59-96(176)158(154(162)257)273-168-142(245)130(185)134(237)110(81-216)269-168)78-123(231)202(42-9-3)72-120(228)205(45-12-6)75-126(234)208(47-21-51-211-67-85(194-198-211)25-17-29-114(222)189-63-105-137(240)145(248)149(252)171(264-105)276-161-99(179)58-95(175)157(153(161)256)272-167-141(244)129(184)133(236)109(80-215)268-167)77-122(230)201(41-8-2)71-118(226)203(43-10-4)73-124(232)206(69-112(182)220)49-23-53-213-87(61-192-196-213)27-19-31-116(224)191-65-107-139(242)147(250)151(254)173(266-107)278-163-101(181)60-97(177)159(155(163)258)274-169-143(246)131(186)135(238)111(82-217)270-169/h33-38,54-56,61,66-68,94-101,104-111,128-163,166-173,214-217,235-258H,7-32,39-53,57-60,62-65,69-82,174-181,183-186H2,1-6H3,(H9,182,187,188,189,190,191,218,219,220,221,222,223,224,259,260,261)/p+1",JPKKTWDDASZUQJ-UHFFFAOYNA-O,C173H279N40O65,Not Found,3959.35,-31.74539682,49,84,100,20,RNA7,Mode of action is not known.,19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1071,kanamycin derivative (2K-0),"3-{3-[N-(carbamoylmethyl)-2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)acetamido]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",NC(=O)CN(CCC[n+]1n[nH]cc1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)C(=O)CN(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1,"InChI=1/C85H124N18O33/c86-46-27-48(88)78(74(123)76(46)133-82-68(117)62(91)64(113)54(35-104)131-82)135-84-72(121)70(119)66(115)52(129-84)30-94-57(109)10-4-8-38-32-102(99-97-38)22-6-20-101(59(111)12-2-1-3-19-93-80(125)37-13-16-42(45(24-37)81(126)127)61-43-17-14-40(106)25-50(43)128-51-26-41(107)15-18-44(51)61)34-60(112)100(33-56(90)108)21-7-23-103-39(29-96-98-103)9-5-11-58(110)95-31-53-67(116)71(120)73(122)85(130-53)136-79-49(89)28-47(87)77(75(79)124)134-83-69(118)63(92)65(114)55(36-105)132-83/h13-18,24-26,29,32,46-49,52-55,62-79,82-85,104-105,113-124H,1-12,19-23,27-28,30-31,33-36,86-89,91-92H2,(H7,90,93,94,95,106,107,108,109,110,125,126,127)/p+1",NWSSSORDCOSKFM-UHFFFAOYNA-O,C85H125N18O33,Not Found,1927.03,-19.1779633,27,42,42,12,RNAs that cause myotonic muscular dystrophy,"Myotonic dystrophy type 1 (DM1), the most common form of muscular dystrophy in adults, is an RNA-mediated disease. In this kind of disease, CUG repeats get dramatically expanded, accumulate in nuclei, and sequester RNA-binding proteins such as the splicing regulator MBNL1. Kanamycin derivative (2K-0) selectively binds with CUG trinucleotide repeats of RNA and inhibits Muscleblind-like 1 (MBNL) protein binding.",19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1072,kanamycin derivative (2K-1),"3-{3-[(carbamoylmethyl)({[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-propylacetamido]carbonyl})amino]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",CCCN(C(=O)CN(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)N(CCC[n+]1n[nH]cc1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O,"InChI=1/C89H131N19O34/c1-2-22-107(89(133)105(36-59(94)113)24-9-26-108-42(32-100-102-108)11-7-13-61(115)99-34-56-70(121)74(125)76(127)88(136-56)142-82-52(93)31-50(91)80(78(82)129)140-86-72(123)66(96)68(119)58(39-110)138-86)63(117)37-104(62(116)14-4-3-5-21-97-83(130)40-15-18-45(48(27-40)84(131)132)64-46-19-16-43(111)28-53(46)134-54-29-44(112)17-20-47(54)64)23-8-25-106-35-41(101-103-106)10-6-12-60(114)98-33-55-69(120)73(124)75(126)87(135-55)141-81-51(92)30-49(90)79(77(81)128)139-85-71(122)65(95)67(118)57(38-109)137-85/h15-20,27-29,32,35,49-52,55-58,65-82,85-88,109-110,118-129H,2-14,21-26,30-31,33-34,36-39,90-93,95-96H2,1H3,(H7,94,97,98,99,111,112,113,114,115,130,131,132)/p+1",YUGWKXIUKAPMIA-UHFFFAOYNA-O,C89H132N19O34,Not Found,2012.13,-18.41989413,27,43,44,12,RNAs that cause myotonic muscular dystrophy,"Myotonic dystrophy type 1 (DM1), the most common form of muscular dystrophy in adults, is an RNA-mediated disease. In this kind of disease, CUG repeats get dramatically expanded, accumulate in nuclei, and sequester RNA-binding proteins such as the splicing regulator MBNL1. Kanamycin derivative (2K-1) selectively binds with CUG trinucleotide repeats of RNA and inhibits Muscleblind-like 1 (MBNL) protein binding.",19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1073,kanamycin derivative (2K-2),"3-{3-[(carbamoylmethyl)({2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-propylacetamido]-N-propylacetamido}carbonyl)amino]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)N(CCC)C(=O)N(CCC[n+]1n[nH]cc1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1,"InChI=1/C94H140N20O35/c1-3-24-109(41-68(124)113(25-4-2)94(140)111(39-63(99)119)27-11-29-114-46(35-105-107-114)13-9-15-65(121)104-37-60-75(128)79(132)81(134)93(143-60)149-87-56(98)34-54(96)85(83(87)136)147-91-77(130)71(101)73(126)62(43-116)145-91)67(123)40-110(66(122)16-6-5-7-23-102-88(137)44-17-20-49(52(30-44)89(138)139)69-50-21-18-47(117)31-57(50)141-58-32-48(118)19-22-51(58)69)26-10-28-112-38-45(106-108-112)12-8-14-64(120)103-36-59-74(127)78(131)80(133)92(142-59)148-86-55(97)33-53(95)84(82(86)135)146-90-76(129)70(100)72(125)61(42-115)144-90/h17-22,30-32,35,38,53-56,59-62,70-87,90-93,115-116,125-136H,3-16,23-29,33-34,36-37,39-43,95-98,100-101H2,1-2H3,(H7,99,102,103,104,117,118,119,120,121,137,138,139)/p+1",FCHQVPVDSKXIFK-UHFFFAOYNA-O,C94H141N20O35,Not Found,2111.27,-18.42217095,27,44,48,12,RNAs that cause myotonic muscular dystrophy,"Myotonic dystrophy type 1 (DM1), the most common form of muscular dystrophy in adults, is an RNA-mediated disease. In this kind of disease, CUG repeats get dramatically expanded, accumulate in nuclei, and sequester RNA-binding proteins such as the splicing regulator MBNL1. Kanamycin derivative (2K-2) selectively binds with CUG trinucleotide repeats of RNA and inhibits Muscleblind-like 1 (MBNL) protein binding.",19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1074,kanamycin derivative (2K-3),"3-{3-[(carbamoylmethyl)[(2-{2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-propylacetamido]-N-propylacetamido}-N-propylacetamido)carbonyl]amino]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)N(CCC)CC(=O)N(CCC)C(=O)N(CCC[n+]1n[nH]cc1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1,"InChI=1/C99H149N21O36/c1-4-26-114(43-71(129)115(27-5-2)45-73(131)119(28-6-3)99(147)117(42-67(104)125)30-13-32-120-50(38-110-112-120)15-11-17-69(127)109-40-64-80(135)84(139)86(141)98(150-64)156-92-60(103)37-58(101)90(88(92)143)154-96-82(137)76(106)78(133)66(47-122)152-96)72(130)44-116(70(128)18-8-7-9-25-107-93(144)48-19-22-53(56(33-48)94(145)146)74-54-23-20-51(123)34-61(54)148-62-35-52(124)21-24-55(62)74)29-12-31-118-41-49(111-113-118)14-10-16-68(126)108-39-63-79(134)83(138)85(140)97(149-63)155-91-59(102)36-57(100)89(87(91)142)153-95-81(136)75(105)77(132)65(46-121)151-95/h19-24,33-35,38,41,57-60,63-66,75-92,95-98,121-122,132-143H,4-18,25-32,36-37,39-40,42-47,100-103,105-106H2,1-3H3,(H7,104,107,108,109,123,124,125,126,127,144,145,146)/p+1",FRCBJFSHSQBPQK-UHFFFAOYNA-O,C99H150N21O36,Not Found,2210.4,-18.42444778,27,45,52,12,RNAs that cause myotonic muscular dystrophy,"Myotonic dystrophy type 1 (DM1), the most common form of muscular dystrophy in adults, is an RNA-mediated disease. In this kind of disease, CUG repeats get dramatically expanded, accumulate in nuclei, and sequester RNA-binding proteins such as the splicing regulator MBNL1. Kanamycin derivative (2K-3) selectively binds with CUG trinucleotide repeats of RNA and inhibits Muscleblind-like 1 (MBNL) protein binding.",19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1075,kanamycin derivative (2K-4),"3-{3-[(carbamoylmethyl)({[2-(2-{2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-propylacetamido]-N-propylacetamido}-N-propylacetamido)-N-propylacetamido]carbonyl})amino]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)C(=O)N(CCC[n+]1n[nH]cc1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1,"InChI=1/C104H158N22O37/c1-5-28-119(47-76(136)121(30-7-3)49-78(138)125(31-8-4)104(154)123(45-71(109)131)33-15-35-126-54(41-115-117-126)17-13-19-73(133)114-43-68-85(142)89(146)91(148)103(157-68)163-97-64(108)40-62(106)95(93(97)150)161-101-87(144)81(111)83(140)70(51-128)159-101)75(135)46-120(29-6-2)77(137)48-122(74(134)20-10-9-11-27-112-98(151)52-21-24-57(60(36-52)99(152)153)79-58-25-22-55(129)37-65(58)155-66-38-56(130)23-26-59(66)79)32-14-34-124-44-53(116-118-124)16-12-18-72(132)113-42-67-84(141)88(145)90(147)102(156-67)162-96-63(107)39-61(105)94(92(96)149)160-100-86(143)80(110)82(139)69(50-127)158-100/h21-26,36-38,41,44,61-64,67-70,80-97,100-103,127-128,139-150H,5-20,27-35,39-40,42-43,45-51,105-108,110-111H2,1-4H3,(H7,109,112,113,114,129,130,131,132,133,151,152,153)/p+1",STEQYMBVTFMNAV-UHFFFAOYNA-O,C104H159N22O37,Not Found,2309.53,-18.4267246,27,46,56,12,RNAs that cause myotonic muscular dystrophy,"Myotonic dystrophy type 1 (DM1), the most common form of muscular dystrophy in adults, is an RNA-mediated disease. In this kind of disease, CUG repeats get dramatically expanded, accumulate in nuclei, and sequester RNA-binding proteins such as the splicing regulator MBNL1. Kanamycin derivative (2K-4) selectively binds with CUG trinucleotide repeats of RNA and inhibits Muscleblind-like 1 (MBNL) protein binding.",19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1076,kanamycin derivative (2K-6),"3-{3-[(carbamoylmethyl)[(2-{2-[2-(2-{2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-propylacetamido]-N-propylacetamido}-N-propylacetamido)-N-propylacetamido]-N-propylacetamido}-N-propylacetamido)carbonyl]amino]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)C(=O)N(CCC[n+]1n[nH]cc1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1,"InChI=1/C114H176N24O39/c1-7-32-129(53-84(148)131(34-9-3)55-86(150)133(36-11-5)57-88(152)137(37-12-6)114(168)135(51-79(119)143)39-19-41-138-62(47-125-127-138)21-17-23-81(145)124-49-76-95(156)99(160)101(162)113(171-76)177-107-72(118)46-70(116)105(103(107)164)175-111-97(158)91(121)93(154)78(59-140)173-111)83(147)52-130(33-8-2)85(149)54-132(35-10-4)87(151)56-134(82(146)24-14-13-15-31-122-108(165)60-25-28-65(68(42-60)109(166)167)89-66-29-26-63(141)43-73(66)169-74-44-64(142)27-30-67(74)89)38-18-40-136-50-61(126-128-136)20-16-22-80(144)123-48-75-94(155)98(159)100(161)112(170-75)176-106-71(117)45-69(115)104(102(106)163)174-110-96(157)90(120)92(153)77(58-139)172-110/h25-30,42-44,47,50,69-72,75-78,90-107,110-113,139-140,153-164H,7-24,31-41,45-46,48-49,51-59,115-118,120-121H2,1-6H3,(H7,119,122,123,124,141,142,143,144,145,165,166,167)/p+1",WPCUJWXVILUKCZ-UHFFFAOYNA-O,C114H177N24O39,Not Found,2507.8,-18.43127825,27,48,64,12,RNAs that cause myotonic muscular dystrophy,"Myotonic dystrophy type 1 (DM1), the most common form of muscular dystrophy in adults, is an RNA-mediated disease. In this kind of disease, CUG repeats get dramatically expanded, accumulate in nuclei, and sequester RNA-binding proteins such as the splicing regulator MBNL1. Kanamycin derivative (2K-6) selectively binds with CUG trinucleotide repeats of RNA and inhibits Muscleblind-like 1 (MBNL) protein binding.",19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1077,kanamycin derivative (3K-0),"3-{3-[N-(carbamoylmethyl)-2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]acetamido]acetamido]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",NC(=O)CN(CCC[n+]1n[nH]cc1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)C(=O)CN(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)CN(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1,"InChI=1/C114H174N26O46/c115-58-33-61(118)104(98(168)101(58)181-109-89(159)80(122)83(153)69(45-141)178-109)184-112-95(165)92(162)86(156)66(175-112)37-126-73(147)13-4-10-49-40-138(133-130-49)27-7-24-136(76(150)16-2-1-3-23-125-107(171)48-17-20-54(57(30-48)108(172)173)79-55-21-18-52(144)31-64(55)174-65-32-53(145)19-22-56(65)79)43-78(152)137(25-8-28-139-41-50(131-134-139)11-5-14-74(148)127-38-67-87(157)93(163)96(166)113(176-67)185-105-62(119)34-59(116)102(99(105)169)182-110-90(160)81(123)84(154)70(46-142)179-110)44-77(151)135(42-72(121)146)26-9-29-140-51(36-129-132-140)12-6-15-75(149)128-39-68-88(158)94(164)97(167)114(177-68)186-106-63(120)35-60(117)103(100(106)170)183-111-91(161)82(124)85(155)71(47-143)180-111/h17-22,30-32,36,40-41,58-63,66-71,80-106,109-114,141-143,153-170H,1-16,23-29,33-35,37-39,42-47,115-120,122-124H2,(H8,121,125,126,127,128,144,145,146,147,148,149,171,172,173)/p+1",DSTKEYWGDHCZKM-UHFFFAOYNA-O,C114H175N26O46,Not Found,2645.79,-24.13042533,38,60,59,16,RNAs that cause myotonic muscular dystrophy,"Myotonic dystrophy type 1 (DM1), the most common form of muscular dystrophy in adults, is an RNA-mediated disease. In this kind of disease, CUG repeats get dramatically expanded, accumulate in nuclei, and sequester RNA-binding proteins such as the splicing regulator MBNL1. Kanamycin derivative (3K-0) selectively binds with CUG trinucleotide repeats of RNA and inhibits Muscleblind-like 1 (MBNL) protein binding.",19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1078,kanamycin derivative (3K-1),"3-{3-[N-(carbamoylmethyl)-2-(2-{2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-propylacetamido]-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]acetamido}-N-propylacetamido)acetamido]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)N(CCC[n+]1n[nH]cc1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)CN(CCC)C(=O)CN(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1,"InChI=1/C124H192N28O48/c1-3-28-145(49-87(165)147(48-80(131)158)32-13-35-152-59(42-139-142-152)16-10-19-83(161)138-45-76-98(172)104(178)107(181)124(191-76)200-116-71(130)41-68(127)113(110(116)184)197-121-101(175)92(134)95(169)79(55-155)194-121)86(164)52-149(31-12-34-151-47-58(141-144-151)15-9-18-82(160)137-44-75-97(171)103(177)106(180)123(190-75)199-115-70(129)40-67(126)112(109(115)183)196-120-100(174)91(133)94(168)78(54-154)193-120)88(166)50-146(29-4-2)85(163)51-148(84(162)20-6-5-7-27-135-117(185)56-21-24-62(65(36-56)118(186)187)89-63-25-22-60(156)37-72(63)188-73-38-61(157)23-26-64(73)89)30-11-33-150-46-57(140-143-150)14-8-17-81(159)136-43-74-96(170)102(176)105(179)122(189-74)198-114-69(128)39-66(125)111(108(114)182)195-119-99(173)90(132)93(167)77(53-153)192-119/h21-26,36-38,42,46-47,66-71,74-79,90-116,119-124,153-155,167-184H,3-20,27-35,39-41,43-45,48-55,125-130,132-134H2,1-2H3,(H8,131,135,136,137,138,156,157,158,159,160,161,185,186,187)/p+1",GQIMKIBPRGMKRN-UHFFFAOYNA-O,C124H193N28O48,Not Found,2844.05,-24.13497898,38,62,67,16,RNAs that cause myotonic muscular dystrophy,"Myotonic dystrophy type 1 (DM1), the most common form of muscular dystrophy in adults, is an RNA-mediated disease. In this kind of disease, CUG repeats get dramatically expanded, accumulate in nuclei, and sequester RNA-binding proteins such as the splicing regulator MBNL1. Kanamycin derivative (3K-1) selectively binds with CUG trinucleotide repeats of RNA and inhibits Muscleblind-like 1 (MBNL) protein binding.",19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1079,kanamycin derivative (3K-2),"3-{3-[N-(carbamoylmethyl)-2-{2-[2-(2-{2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-propylacetamido]-N-propylacetamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]acetamido)-N-propylacetamido]-N-propylacetamido}acetamido]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)N(CCC[n+]1n[nH]cc1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCC)C(=O)CN(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1,"InChI=1/C134H210N30O50/c1-5-32-155(95(177)59-160(92(174)24-10-9-11-31-145-127(199)64-25-28-70(73(42-64)128(200)201)99-71-29-26-68(168)43-80(71)202-81-44-69(169)27-30-72(81)99)36-15-39-162-52-65(150-153-162)18-12-21-89(171)146-49-82-106(184)112(190)115(193)132(203-82)212-124-77(138)45-74(135)121(118(124)196)209-129-109(187)100(142)103(181)85(61-165)206-129)55-94(176)158(35-8-4)58-98(180)161(37-16-40-163-53-66(151-154-163)19-13-22-90(172)147-50-83-107(185)113(191)116(194)133(204-83)213-125-78(139)46-75(136)122(119(125)197)210-130-110(188)101(143)104(182)86(62-166)207-130)60-96(178)156(33-6-2)56-93(175)157(34-7-3)57-97(179)159(54-88(141)170)38-17-41-164-67(48-149-152-164)20-14-23-91(173)148-51-84-108(186)114(192)117(195)134(205-84)214-126-79(140)47-76(137)123(120(126)198)211-131-111(189)102(144)105(183)87(63-167)208-131/h25-30,42-44,48,52-53,74-79,82-87,100-126,129-134,165-167,181-198H,5-24,31-41,45-47,49-51,54-63,135-140,142-144H2,1-4H3,(H8,141,145,146,147,148,168,169,170,171,172,173,199,200,201)/p+1",HKRBERUIVIBYPB-UHFFFAOYNA-O,C134H211N30O50,Not Found,3042.32,-24.13953262,38,64,75,16,RNAs that cause myotonic muscular dystrophy,"Myotonic dystrophy type 1 (DM1), the most common form of muscular dystrophy in adults, is an RNA-mediated disease. In this kind of disease, CUG repeats get dramatically expanded, accumulate in nuclei, and sequester RNA-binding proteins such as the splicing regulator MBNL1. Kanamycin derivative (3K-2) selectively binds with CUG trinucleotide repeats of RNA and inhibits Muscleblind-like 1 (MBNL) protein binding.",19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1080,kanamycin derivative (3K-3),"3-{3-[N-(carbamoylmethyl)-2-[2-(2-{2-[2-(2-{2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-propylacetamido]-N-propylacetamido}-N-propylacetamido)-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]acetamido]-N-propylacetamido}-N-propylacetamido)-N-propylacetamido]acetamido]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)N(CCC[n+]1n[nH]cc1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1,"InChI=1/C144H228N32O52/c1-7-36-165(61-103(189)169(40-11-5)65-107(193)171(60-96(151)182)44-21-47-176-75(54-159-162-176)24-18-27-99(185)158-57-92-118(200)124(206)127(209)144(219-92)228-136-87(150)53-84(147)133(130(136)212)225-141-121(203)112(154)115(197)95(71-179)222-141)102(188)64-168(39-10-4)106(192)68-173(43-20-46-175-59-74(161-164-175)23-17-26-98(184)157-56-91-117(199)123(205)126(208)143(218-91)227-135-86(149)52-83(146)132(129(135)211)224-140-120(202)111(153)114(196)94(70-178)221-140)108(194)66-170(41-12-6)104(190)62-166(37-8-2)101(187)63-167(38-9-3)105(191)67-172(100(186)28-14-13-15-35-155-137(213)72-29-32-78(81(48-72)138(214)215)109-79-33-30-76(180)49-88(79)216-89-50-77(181)31-34-80(89)109)42-19-45-174-58-73(160-163-174)22-16-25-97(183)156-55-90-116(198)122(204)125(207)142(217-90)226-134-85(148)51-82(145)131(128(134)210)223-139-119(201)110(152)113(195)93(69-177)220-139/h29-34,48-50,54,58-59,82-87,90-95,110-136,139-144,177-179,195-212H,7-28,35-47,51-53,55-57,60-71,145-150,152-154H2,1-6H3,(H8,151,155,156,157,158,180,181,182,183,184,185,213,214,215)/p+1",IQGWAWCQLCBCQH-UHFFFAOYNA-O,C144H229N32O52,Not Found,3240.59,-24.14408627,38,66,83,16,RNAs that cause myotonic muscular dystrophy,"Myotonic dystrophy type 1 (DM1), the most common form of muscular dystrophy in adults, is an RNA-mediated disease. In this kind of disease, CUG repeats get dramatically expanded, accumulate in nuclei, and sequester RNA-binding proteins such as the splicing regulator MBNL1. Kanamycin derivative (3K-3) selectively binds with CUG trinucleotide repeats of RNA and inhibits Muscleblind-like 1 (MBNL) protein binding.",19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1081,kanamycin derivative (3K-4),"3-{3-[N-(carbamoylmethyl)-2-(2-{2-[2-(2-{2-[2-(2-{2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-propylacetamido]-N-propylacetamido}-N-propylacetamido)-N-propylacetamido]-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]acetamido}-N-propylacetamido)-N-propylacetamido]-N-propylacetamido}-N-propylacetamido)acetamido]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)N(CCC[n+]1n[nH]cc1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1,"InChI=1/C154H246N34O54/c1-9-40-175(111(201)71-179(44-13-5)115(205)75-184(108(198)32-18-17-19-39-165-147(227)80-33-36-86(89(54-80)148(228)229)119-87-37-34-84(192)55-96(87)230-97-56-85(193)35-38-88(97)119)48-23-51-186-64-81(170-173-186)26-20-29-105(195)166-61-98-126(212)132(218)135(221)152(231-98)240-144-93(158)57-90(155)141(138(144)224)237-149-129(215)120(162)123(209)101(77-189)234-149)67-110(200)178(43-12-4)70-114(204)182(47-16-8)74-118(208)185(49-24-52-187-65-82(171-174-187)27-21-30-106(196)167-62-99-127(213)133(219)136(222)153(232-99)241-145-94(159)58-91(156)142(139(145)225)238-150-130(216)121(163)124(210)102(78-190)235-150)76-116(206)180(45-14-6)72-112(202)176(41-10-2)68-109(199)177(42-11-3)69-113(203)181(46-15-7)73-117(207)183(66-104(161)194)50-25-53-188-83(60-169-172-188)28-22-31-107(197)168-63-100-128(214)134(220)137(223)154(233-100)242-146-95(160)59-92(157)143(140(146)226)239-151-131(217)122(164)125(211)103(79-191)236-151/h33-38,54-56,60,64-65,90-95,98-103,120-146,149-154,189-191,209-226H,9-32,39-53,57-59,61-63,66-79,155-160,162-164H2,1-8H3,(H8,161,165,166,167,168,192,193,194,195,196,197,227,228,229)/p+1",RGUXORHJAPWXCL-UHFFFAOYNA-O,C154H247N34O54,Not Found,3438.85,-24.14863992,38,68,91,16,RNAs that cause myotonic muscular dystrophy,"Myotonic dystrophy type 1 (DM1), the most common form of muscular dystrophy in adults, is an RNA-mediated disease. In this kind of disease, CUG repeats get dramatically expanded, accumulate in nuclei, and sequester RNA-binding proteins such as the splicing regulator MBNL1. Kanamycin derivative (3K-4) selectively binds with CUG trinucleotide repeats of RNA and inhibits Muscleblind-like 1 (MBNL) protein binding.",19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1082,kanamycin derivative (4K-0),"3-{3-[N-(carbamoylmethyl)-2-{2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]acetamido]-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]acetamido}acetamido]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium; ethane",CC.NC(=O)CN(CCC[n+]1n[nH]cc1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)C(=O)CN(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)CN(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)CN(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1,"InChI=1/C143H224N34O59.C2H6/c144-70-39-74(148)130(122(213)126(70)229-136-110(201)98(153)102(193)84(55-178)225-136)233-140-118(209)114(205)106(197)80(221-140)44-158-89(185)16-4-12-60-48-174(167-163-60)32-8-28-171(93(189)20-2-1-3-27-157-134(217)59-21-24-66(69(36-59)135(218)219)97-67-25-22-64(182)37-78(67)220-79-38-65(183)23-26-68(79)97)52-95(191)173(30-10-34-176-50-62(165-169-176)14-6-18-91(187)160-46-82-108(199)116(207)120(211)142(223-82)235-132-76(150)41-72(146)128(124(132)215)231-138-112(203)100(155)104(195)86(57-180)227-138)54-96(192)172(29-9-33-175-49-61(164-168-175)13-5-17-90(186)159-45-81-107(198)115(206)119(210)141(222-81)234-131-75(149)40-71(145)127(123(131)214)230-137-111(202)99(154)103(194)85(56-179)226-137)53-94(190)170(51-88(152)184)31-11-35-177-63(43-162-166-177)15-7-19-92(188)161-47-83-109(200)117(208)121(212)143(224-83)236-133-77(151)42-73(147)129(125(133)216)232-139-113(204)101(156)105(196)87(58-181)228-139;1-2/h21-26,36-38,43,48-50,70-77,80-87,98-133,136-143,178-181,193-216H,1-20,27-35,39-42,44-47,51-58,144-151,153-156H2,(H9,152,157,158,159,160,161,182,183,184,185,186,187,188,217,218,219);1-2H3/p+1",OYFVEPAFWCJBGR-UHFFFAOYNA-O,C145H231N34O59,Not Found,3394.62,-31.73173587,49,78,76,20,RNAs that cause myotonic muscular dystrophy,"Myotonic dystrophy type 1 (DM1), the most common form of muscular dystrophy in adults, is an RNA-mediated disease. In this kind of disease, CUG repeats get dramatically expanded, accumulate in nuclei, and sequester RNA-binding proteins such as the splicing regulator MBNL1. Kanamycin derivative (4K-0) selectively binds with CUG trinucleotide repeats of RNA and inhibits Muscleblind-like 1 (MBNL) protein binding.",19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1083,kanamycin derivative (4K-1),"3-{3-[N-(carbamoylmethyl)-2-{2-[2-(2-{2-[2-(6-{[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]formamido}-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]hexanamido)-N-propylacetamido]-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]acetamido}-N-propylacetamido)-N-[3-(4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-1-yl)propyl]acetamido]-N-propylacetamido}acetamido]propyl}-4-{3-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]propyl}-1H-1,2,3-triazol-3-ium",CCCN(CC(=O)N(CCC[n+]1n[nH]cc1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)CN(CCC)C(=O)CN(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)CN(CCC)C(=O)CN(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1,"InChI=1/C158H251N37O62/c1-4-34-185(61-109(211)188(60-100(167)202)40-17-44-195-75(52-177-181-195)21-13-25-104(206)176-56-95-124(221)132(229)136(233)158(245-95)257-148-89(166)51-85(162)144(140(148)237)253-154-128(225)116(171)120(217)99(70-199)249-154)107(209)65-190(38-15-42-193-58-73(179-183-193)19-11-23-102(204)174-54-93-122(219)130(227)134(231)156(243-93)255-146-87(164)49-83(160)142(138(146)235)251-152-126(223)114(169)118(215)97(68-197)247-152)111(213)63-187(36-6-3)108(210)66-191(39-16-43-194-59-74(180-184-194)20-12-24-103(205)175-55-94-123(220)131(228)135(232)157(244-94)256-147-88(165)50-84(161)143(139(147)236)252-153-127(224)115(170)119(216)98(69-198)248-153)110(212)62-186(35-5-2)106(208)64-189(105(207)26-8-7-9-33-172-149(238)71-27-30-78(81(45-71)150(239)240)112-79-31-28-76(200)46-90(79)241-91-47-77(201)29-32-80(91)112)37-14-41-192-57-72(178-182-192)18-10-22-101(203)173-53-92-121(218)129(226)133(230)155(242-92)254-145-86(163)48-82(159)141(137(145)234)250-151-125(222)113(168)117(214)96(67-196)246-151/h27-32,45-47,52,57-59,82-89,92-99,113-148,151-158,196-199,214-237H,4-26,33-44,48-51,53-56,60-70,159-166,168-171H2,1-3H3,(H9,167,172,173,174,175,176,200,201,202,203,204,205,206,238,239,240)/p+1",NWCZTQIMWNSJJB-UHFFFAOYNA-O,C158H252N37O62,Not Found,3661.95,-31.73856634,49,81,88,20,RNAs that cause myotonic muscular dystrophy,"Myotonic dystrophy type 1 (DM1), the most common form of muscular dystrophy in adults, is an RNA-mediated disease. In this kind of disease, CUG repeats get dramatically expanded, accumulate in nuclei, and sequester RNA-binding proteins such as the splicing regulator MBNL1. Kanamycin derivative (4K-1) selectively binds with CUG trinucleotide repeats of RNA and inhibits Muscleblind-like 1 (MBNL) protein binding.",19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1084,kanamycin derivative (4K-2),,CCCN(CC(=O)N(CCC[n+]1n[nH]cc1CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O)CC(N)=O)C(=O)CN(CCC)C(=O)CN(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(CCCn1cc(CCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1,"InChI=1/C173H278N40O65/c1-7-40-200(121(229)76-207(117(225)32-14-13-15-39-187-164(259)83-33-36-90(93(54-83)165(260)261)127-91-37-34-88(218)55-102(91)262-103-56-89(219)35-38-92(103)127)46-20-50-210-66-84(193-197-210)24-16-28-113(221)188-62-104-136(239)144(247)148(251)170(263-104)275-160-98(178)57-94(174)156(152(160)255)271-166-140(243)128(183)132(235)108(79-214)267-166)70-119(227)204(44-11-5)74-125(233)209(48-22-52-212-68-86(195-199-212)26-18-30-115(223)190-64-106-138(241)146(249)150(253)172(265-106)277-162-100(180)59-96(176)158(154(162)257)273-168-142(245)130(185)134(237)110(81-216)269-168)78-123(231)202(42-9-3)72-120(228)205(45-12-6)75-126(234)208(47-21-51-211-67-85(194-198-211)25-17-29-114(222)189-63-105-137(240)145(248)149(252)171(264-105)276-161-99(179)58-95(175)157(153(161)256)272-167-141(244)129(184)133(236)109(80-215)268-167)77-122(230)201(41-8-2)71-118(226)203(43-10-4)73-124(232)206(69-112(182)220)49-23-53-213-87(61-192-196-213)27-19-31-116(224)191-65-107-139(242)147(250)151(254)173(266-107)278-163-101(181)60-97(177)159(155(163)258)274-169-143(246)131(186)135(238)111(82-217)270-169/h33-38,54-56,61,66-68,94-101,104-111,128-163,166-173,214-217,235-258H,7-32,39-53,57-60,62-65,69-82,174-181,183-186H2,1-6H3,(H9,182,187,188,189,190,191,218,219,220,221,222,223,224,259,260,261)/p+1",JPKKTWDDASZUQJ-UHFFFAOYNA-O,C173H279N40O65,Not Found,3959.35,-31.74539682,49,84,100,20,RNAs that cause myotonic muscular dystrophy,"Myotonic dystrophy type 1 (DM1), the most common form of muscular dystrophy in adults, is an RNA-mediated disease. In this kind of disease, CUG repeats get dramatically expanded, accumulate in nuclei, and sequester RNA-binding proteins such as the splicing regulator MBNL1. Kanamycin derivative (4K-2) selectively binds with CUG trinucleotide repeats of RNA and inhibits Muscleblind-like 1 (MBNL) protein binding.",19904940,,,,,,"Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,,,,,,Not Found,No,No,,,,
DBoRL1085,Sinefungin,"2,5-diamino-6-[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]hexanoic acid",Nc1ncnc2c1ncn2C1OC(CC(N)CCC(N)C(=O)O)C(O)C1O,"InChI=1/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)",LMXOHSDXUQEUSF-UHFFFAOYNA-N,C15H23N7O5,Not Found,381.393,-5.149431487,6,11,7,3,TteSAM-I riboswitch variant A94GU34C,"Sinefungin (SFG), a chemical analogue of S-adenosylmethionine (SAM), use to elucidate a structural basis for discrimination between closely related cellular metabolites by the SAM-I riboswitch. The SAM-I riboswitch is a cis-acting element of genetic control found in bacterial mRNAs that specifically binds SAM.",20006621,,,,,,"Montange RK, Mondrag?n E, van Tyne D, Garst AD, Ceres P, Batey RT. Discrimination between closely related cellular metabolites by the SAM-I riboswitch. J Mol Biol. 2010 Feb 26;396(3):761-72. doi: 10.1016/j.jmb.2009.12.007. Epub 2009 Dec 16. PMID: 20006621; PMCID: PMC2822714.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20006621/,,,,,,4065234,Yes,No,Experimental,DB01910,https://go.drugbank.com/drugs/DB01910,
DBoRL1086,Braco-19,N-(9-{[4-(dimethylamino)phenyl]amino}-6-[3-(pyrrolidin-1-yl)propanamido]acridin-3-yl)-3-(pyrrolidin-1-yl)propanamide,CN(C)c1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1,"InChI=1S/C35H43N7O2/c1-40(2)28-11-7-25(8-12-28)38-35-29-13-9-26(36-33(43)15-21-41-17-3-4-18-41)23-31(29)39-32-24-27(10-14-30(32)35)37-34(44)16-22-42-19-5-6-20-42/h7-14,23-24H,3-6,15-22H2,1-2H3,(H,36,43)(H,37,44)(H,38,39)",RKPYSYRMIXRZJT-UHFFFAOYSA-N,C35H43N7O2,351351-75-2,593.776,4.598235305,3,7,11,6,Human telomeric RNA: 5'-[r(AGGG(UUAGGG)]-3',Braco specifically binds with 5'-(UUA(GGGUUA)4)]-3? of human telomeric RNA and & modulates the regulatory function(s) of this sequence.,20024253,,,,,,"Collie G, Reszka AP, Haider SM, Gabelica V, Parkinson GN, Neidle S. Selectivity in small molecule binding to human telomeric RNA and DNA quadruplexes. Chem Commun (Camb). 2009 Dec 28;(48):7482-4. doi: 10.1039/b901889a. Epub 2009 Nov 13. PMID: 20024253.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20024253/,,,,,,9808666,No,No,,,,
DBoRL1087,BRACO-19,N-(9-{[4-(dimethylamino)phenyl]amino}-6-[3-(pyrrolidin-1-yl)propanamido]acridin-3-yl)-3-(pyrrolidin-1-yl)propanamide,CN(C)C1=CC=C(NC2=C3C=CC(NC(=O)CCN4CCCC4)=CC3=NC3=CC(NC(=O)CCN4CCCC4)=CC=C23)C=C1,"InChI=1S/C35H43N7O2/c1-40(2)28-11-7-25(8-12-28)38-35-29-13-9-26(36-33(43)15-21-41-17-3-4-18-41)23-31(29)39-32-24-27(10-14-30(32)35)37-34(44)16-22-42-19-5-6-20-42/h7-14,23-24H,3-6,15-22H2,1-2H3,(H,36,43)(H,37,44)(H,38,39)",RKPYSYRMIXRZJT-UHFFFAOYSA-N,C35H43N7O2,351351-75-2,593.776,4.598235305,3,7,11,6,5'-[r(AGGG(UUAGGG)]-3',BRACO-19 specifically binds with 5'-[r(AGGG(UUAGGG)]-3' of human telomeric RNA and & modulates the regulatory function(s) of this sequence.,20024253,,,,,,"Collie G, Reszka AP, Haider SM, Gabelica V, Parkinson GN, Neidle S. Selectivity in small molecule binding to human telomeric RNA and DNA quadruplexes. Chem Commun (Camb). 2009 Dec 28;(48):7482-4. doi: 10.1039/b901889a. Epub 2009 Nov 13. PMID: 20024253.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20024253/,,,,,,9808666,No,No,,,,
DBoRL1088,Naphthalene diimides derivate (1),"6,13-bis[3-(dimethylamino)propyl]-2,9-bis({[3-(dimethylamino)propyl]amino})-6,13-diazatetracyclo[6.6.2.0?,??.0??,??]hexadeca-1(15),2,4(16),9-tetraene-5,7,12,14-tetrone",CN(C)CCCNC1=CC2C(=O)N(CCCN(C)C)C(=O)C3=C2C2=C(C=C3NCCCN(C)C)C(=O)N(CCCN(C)C)C(=O)C12,"InChI=1/C34H54N8O4/c1-37(2)15-9-13-35-25-21-23-28-27-24(32(44)41(33(45)29(25)27)19-11-17-39(5)6)22-26(36-14-10-16-38(3)4)30(28)34(46)42(31(23)43)20-12-18-40(7)8/h21-23,29,35-36H,9-20H2,1-8H3",ZXHFFMWMHBOMDO-UHFFFAOYNA-N,C34H54N8O4,Not Found,638.858,-0.356644092,2,10,18,4,5'-[r(AGGG(UUAGGG)]-3',Naphthalene diimides derivate (1) specifically binds with 5'-[r(AGGG(UUAGGG)]-3' of human telomeric RNA and & modulates the regulatory function(s) of this sequence.,20024253,,,,,,"Collie G, Reszka AP, Haider SM, Gabelica V, Parkinson GN, Neidle S. Selectivity in small molecule binding to human telomeric RNA and DNA quadruplexes. Chem Commun (Camb). 2009 Dec 28;(48):7482-4. doi: 10.1039/b901889a. Epub 2009 Nov 13. PMID: 20024253.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20024253/,,,,,,Not Found,No,No,,,,
DBoRL1089,Naphthalene diimides derivate (1),"6,13-bis[3-(pyrrolidin-1-yl)propyl]-2,9-bis({[3-(pyrrolidin-1-yl)propyl]amino})-6,13-diazatetracyclo[6.6.2.0?,??.0??,??]hexadeca-1(15),2,4(16),9-tetraene-5,7,12,14-tetrone",O=C1C2C=C(NCCCN3CCCC3)C3C(=O)N(CCCN4CCCC4)C(=O)C4=C3C2=C(C(=O)N1CCCN1CCCC1)C(NCCCN1CCCC1)=C4,"InChI=1/C42H62N8O4/c51-39-31-29-33(43-13-9-23-45-15-1-2-16-45)37-35-32(40(52)49(41(37)53)27-11-25-47-19-5-6-20-47)30-34(44-14-10-24-46-17-3-4-18-46)38(36(31)35)42(54)50(39)28-12-26-48-21-7-8-22-48/h29-31,37,43-44H,1-28H2",VZUSYZNYJAJEGP-UHFFFAOYNA-N,C42H62N8O4,Not Found,743.01,1.266545775,2,10,18,8,5'-[r(AGGG(UUAGGG)]-3',Naphthalene diimides derivate (1) specifically binds with 5'-[r(AGGG(UUAGGG)]-3' of human telomeric RNA and & modulates the regulatory function(s) of this sequence.,20024253,,,,,,"Collie G, Reszka AP, Haider SM, Gabelica V, Parkinson GN, Neidle S. Selectivity in small molecule binding to human telomeric RNA and DNA quadruplexes. Chem Commun (Camb). 2009 Dec 28;(48):7482-4. doi: 10.1039/b901889a. Epub 2009 Nov 13. PMID: 20024253.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20024253/,,,,,,Not Found,No,No,,,,
DBoRL1090,Naphthalene diimides derivate (1),"6,13-bis[3-(dimethylamino)propyl]-2,9-bis[(3-hydroxypropyl)amino]-6,13-diazatetracyclo[6.6.2.0?,??.0??,??]hexadeca-1(15),2,4(16),9-tetraene-5,7,12,14-tetrone",CN(C)CCCN1C(=O)C2C(NCCCO)=CC3C(=O)N(CCCN(C)C)C(=O)C4=C3C2=C(C=C4NCCCO)C1=O,"InChI=1/C30H44N6O6/c1-33(2)11-7-13-35-27(39)19-17-22(32-10-6-16-38)26-24-20(28(40)36(30(26)42)14-8-12-34(3)4)18-21(31-9-5-15-37)25(23(19)24)29(35)41/h17-19,26,31-32,37-38H,5-16H2,1-4H3",KKDREXJJPPUJMC-UHFFFAOYNA-N,C30H44N6O6,Not Found,584.718,-1.77413716,4,10,16,4,5'-[r(AGGG(UUAGGG)]-3',Naphthalene diimides derivate (1) specifically binds with 5'-[r(AGGG(UUAGGG)]-3' of human telomeric RNA and & modulates the regulatory function(s) of this sequence.,20024253,,,,,,"Collie G, Reszka AP, Haider SM, Gabelica V, Parkinson GN, Neidle S. Selectivity in small molecule binding to human telomeric RNA and DNA quadruplexes. Chem Commun (Camb). 2009 Dec 28;(48):7482-4. doi: 10.1039/b901889a. Epub 2009 Nov 13. PMID: 20024253.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20024253/,,,,,,Not Found,No,No,,,,
DBoRL1091,Naphthalene diimides derivate 1,"6,13-bis[3-(dimethylamino)propyl]-2,9-bis({[3-(dimethylamino)propyl]amino})-6,13-diazatetracyclo[6.6.2.0?,??.0??,??]hexadeca-1,3,9,15-tetraene-5,7,12,14-tetrone",CN(C)CCCNC1=CC2C(=O)N(CCCN(C)C)C(=O)c3c(NCCCN(C)C)cc4c(c32)C1C(=O)N(CCCN(C)C)C4=O,"InChI=1/C34H54N8O4/c1-37(2)15-9-13-35-25-21-23-28-27-24(32(44)41(33(45)29(25)27)19-11-17-39(5)6)22-26(36-14-10-16-38(3)4)30(28)34(46)42(31(23)43)20-12-18-40(7)8/h21-23,29,35-36H,9-20H2,1-8H3",ZXHFFMWMHBOMDO-UHFFFAOYNA-N,C34H54N8O4,Not Found,638.858,-0.356644092,2,10,18,4,Human telomeric RNA: 5'-[r(AGGG(UUAGGG)]-3',Naphthalene diimides derivate 1 specifically binds with 5'-(UUA(GGGUUA)4)]-3? of human telomeric RNA and & modulates the regulatory function(s) of this sequence.,20024253,,,,,,"Collie G, Reszka AP, Haider SM, Gabelica V, Parkinson GN, Neidle S. Selectivity in small molecule binding to human telomeric RNA and DNA quadruplexes. Chem Commun (Camb). 2009 Dec 28;(48):7482-4. doi: 10.1039/b901889a. Epub 2009 Nov 13. PMID: 20024253.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20024253/,,,,,,Not Found,No,No,,,,
DBoRL1092,Naphthalene diimides derivate 2,"6,13-bis[3-(pyrrolidin-1-yl)propyl]-2,9-bis({[3-(pyrrolidin-1-yl)propyl]amino})-6,13-diazatetracyclo[6.6.2.0?,??.0??,??]hexadeca-1,3,9,15-tetraene-5,7,12,14-tetrone",O=C1c2cc(NCCCN3CCCC3)c3c4c2C(C(=O)N1CCCN1CCCC1)C(NCCCN1CCCC1)=CC4C(=O)N(CCCN1CCCC1)C3=O,"InChI=1/C42H62N8O4/c51-39-31-29-33(43-13-9-23-45-15-1-2-16-45)37-35-32(40(52)49(41(37)53)27-11-25-47-19-5-6-20-47)30-34(44-14-10-24-46-17-3-4-18-46)38(36(31)35)42(54)50(39)28-12-26-48-21-7-8-22-48/h29-31,37,43-44H,1-28H2",VZUSYZNYJAJEGP-UHFFFAOYNA-N,C42H62N8O4,Not Found,743.01,1.266545775,2,10,18,8,Human telomeric RNA: 5'-[r(AGGG(UUAGGG)]-3',Naphthalene diimides derivate 2 specifically binds with 5'-(UUA(GGGUUA)4)]-3? of human telomeric RNA and & modulates the regulatory function(s) of this sequence.,20024253,,,,,,"Collie G, Reszka AP, Haider SM, Gabelica V, Parkinson GN, Neidle S. Selectivity in small molecule binding to human telomeric RNA and DNA quadruplexes. Chem Commun (Camb). 2009 Dec 28;(48):7482-4. doi: 10.1039/b901889a. Epub 2009 Nov 13. PMID: 20024253.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20024253/,,,,,,Not Found,No,No,,,,
DBoRL1093,Naphthalene diimides derivate 3,"6,13-bis[3-(dimethylamino)propyl]-2,9-bis[(3-hydroxypropyl)amino]-6,13-diazatetracyclo[6.6.2.0?,??.0??,??]hexadeca-1,3,9,15-tetraene-5,7,12,14-tetrone",CN(C)CCCN1C(=O)c2c(NCCCO)cc3c4c2C(C=C(NCCCO)C4C(=O)N(CCCN(C)C)C3=O)C1=O,"InChI=1/C30H44N6O6/c1-33(2)11-7-13-35-27(39)19-17-22(32-10-6-16-38)26-24-20(28(40)36(30(26)42)14-8-12-34(3)4)18-21(31-9-5-15-37)25(23(19)24)29(35)41/h17-19,26,31-32,37-38H,5-16H2,1-4H3",KKDREXJJPPUJMC-UHFFFAOYNA-N,C30H44N6O6,Not Found,584.718,-1.77413716,4,10,16,4,Human telomeric RNA: 5'-[r(AGGG(UUAGGG)]-3',Naphthalene diimides derivate 3 specifically binds with 5'-(UUA(GGGUUA)4)]-3? of human telomeric RNA and & modulates the regulatory function(s) of this sequence.,20024253,,,,,,"Collie G, Reszka AP, Haider SM, Gabelica V, Parkinson GN, Neidle S. Selectivity in small molecule binding to human telomeric RNA and DNA quadruplexes. Chem Commun (Camb). 2009 Dec 28;(48):7482-4. doi: 10.1039/b901889a. Epub 2009 Nov 13. PMID: 20024253.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20024253/,,,,,,Not Found,No,No,,,,
DBoRL1094,Lankacidin C,"N-{7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl}-2-oxopropanamide",CC(=O)C(=O)NC1C=C(C)C=CC(O)CC=C(C)C=CC(O)CC2OC(=O)C1(C)C(=O)C2C,"InChI=1/C25H33NO7/c1-14-6-9-18(28)10-8-15(2)12-21(26-23(31)17(4)27)25(5)22(30)16(3)20(33-24(25)32)13-19(29)11-7-14/h6-8,10-12,16,18-21,28-29H,9,13H2,1-5H3,(H,26,31)",ATDILMLBOZKFGI-UHFFFAOYNA-N,C25H33NO7,Not Found,459.539,2.076689739,3,6,2,2,large ribosomal subunit from D. Radiodurans,"Lankacidin (a polyketide antibiotic) produced by Streptomyces rochei, binds at the peptidyl transferase center of the eubacterial large ribosomal subunit & interfering with peptide bond formation during translation process.",20080686,,,,,,"Auerbach T, Mermershtain I, Davidovich C, Bashan A, Belousoff M, Wekselman I, Zimmerman E, Xiong L, Klepacki D, Arakawa K, Kinashi H, Mankin AS, Yonath A. The structure of ribosome-lankacidin complex reveals ribosomal sites for synergistic antibiotics. Proc Natl Acad Sci U S A. 2010 Feb 2;107(5):1983-8. doi: 10.1073/pnas.0914100107. Epub 2010 Jan 11. PMID: 20080686; PMCID: PMC2804743.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20080686/,,,,,,422576,No,No,,,,
DBoRL1095,Fluorescein lebel kanamycin A derivative ,"1-({4-amino-6-[(4,6-diamino-3-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",N=[N+]=NCC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3O)C2O)C(O)C(N)C1O,"InChI=1/C18H36N7O10/c19-2-6-10(27)12(29)13(30)18(32-6)35-16-5(21)1-4(20)15(14(16)31)34-17-11(28)8(22)9(26)7(33-17)3-24-25-23/h4-18,23,26-31H,1-3,19-22H2/q+1",ZWPYJFJRAWFCSL-UHFFFAOYNA-N,C18H36N7O10,Not Found,510.524,-6.240569018,11,16,7,3,RNA internal loops,Fluorescein label kanamycin A derivative has the ability to binds with RNA internal loops and may disrupt the function. ,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1096,Fluorescein lebel Neamine derivative,"1-{2-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]ethyl}triaza-1,2-dien-2-ium",N=[N+]=NCCOC1C(O)C(N)CC(N)C1OC1OC(CN)C(O)C(O)C1N,"InChI=1/C14H30N7O6/c15-4-7-10(23)11(24)8(18)14(26-7)27-12-6(17)3-5(16)9(22)13(12)25-2-1-20-21-19/h5-14,19,22-24H,1-4,15-18H2/q+1",WMJMNSNUFGWSRJ-UHFFFAOYNA-N,C14H30N7O6,Not Found,392.436,-4.516708881,8,12,7,2,RNA internal loops,Fluorescein label neamine derivative has the ability to binds with RNA internal loops and may disrupt the function. ,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1097,Fluorescein lebel neomycin B derivative,"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",N=[N+]=NCC1OC(OC2C(O)C(N)CC(N)C2OC2OC(CN)C(O)C(O)C2N)C(O)C1OC1OC(CN)C(O)C(O)C1N,"InChI=1/C23H46N9O12/c24-2-7-13(34)15(36)10(28)21(39-7)42-18-6(27)1-5(26)12(33)20(18)44-23-17(38)19(9(41-23)4-31-32-30)43-22-11(29)16(37)14(35)8(3-25)40-22/h5-23,30,33-38H,1-4,24-29H2/q+1",YBAFVHKUDQROGQ-UHFFFAOYNA-N,C23H46N9O12,Not Found,640.671,-7.594833315,13,20,10,4,RNA internal loops,Fluorescein label neomycin B derivative has the ability to binds with RNA internal loops and may disrupt the function. ,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1098,Fluorescein lebel tobramycin derivative,"1-({4-amino-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",N=[N+]=NCC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)CC3N)C2O)C(O)C(N)C1O,"InChI=1/C18H37N8O8/c19-3-9-8(27)2-7(22)17(31-9)33-15-5(20)1-6(21)16(14(15)30)34-18-13(29)11(23)12(28)10(32-18)4-25-26-24/h5-18,24,27-30H,1-4,19-23H2/q+1",NUNSOSGFNPAQCX-UHFFFAOYNA-N,C18H37N8O8,Not Found,493.541,-5.657156134,10,15,7,3,RNA internal loops,Fluorescein label tobramycin derivative has the ability to binds with RNA internal loops and may disrupt the function. ,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1099,Fluorescein lebel kanamycin derivative A (10- FL),"1-({4-amino-6-[(4,6-diamino-3-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C18H36N7O10/c19-2-6-10(27)12(29)13(30)18(32-6)35-16-5(21)1-4(20)15(14(16)31)34-17-11(28)8(22)9(26)7(33-17)3-24-25-23/h4-18,23,26-31H,1-3,19-22H2/q+1",ZWPYJFJRAWFCSL-UHFFFAOYNA-N,C18H36N7O10,Not Found,510.524,-6.240569018,11,16,7,3,RNA internal loop KAN AIL1,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1100,Fluorescein lebel kanamycin derivative A (10- FL),"1-({4-amino-6-[(4,6-diamino-3-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C18H36N7O10/c19-2-6-10(27)12(29)13(30)18(32-6)35-16-5(21)1-4(20)15(14(16)31)34-17-11(28)8(22)9(26)7(33-17)3-24-25-23/h4-18,23,26-31H,1-3,19-22H2/q+1",ZWPYJFJRAWFCSL-UHFFFAOYNA-N,C18H36N7O10,Not Found,510.524,-6.240569018,11,16,7,3,RNA internal loop KAN AIL2,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1101,Fluorescein lebel kanamycin derivative A (10- FL),"1-({4-amino-6-[(4,6-diamino-3-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C18H36N7O10/c19-2-6-10(27)12(29)13(30)18(32-6)35-16-5(21)1-4(20)15(14(16)31)34-17-11(28)8(22)9(26)7(33-17)3-24-25-23/h4-18,23,26-31H,1-3,19-22H2/q+1",ZWPYJFJRAWFCSL-UHFFFAOYNA-N,C18H36N7O10,Not Found,510.524,-6.240569018,11,16,7,3,RNA internal loop KAN AIL3,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1102,Fluorescein lebel kanamycin derivative A (10- FL),"1-({4-amino-6-[(4,6-diamino-3-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C18H36N7O10/c19-2-6-10(27)12(29)13(30)18(32-6)35-16-5(21)1-4(20)15(14(16)31)34-17-11(28)8(22)9(26)7(33-17)3-24-25-23/h4-18,23,26-31H,1-3,19-22H2/q+1",ZWPYJFJRAWFCSL-UHFFFAOYNA-N,C18H36N7O10,Not Found,510.524,-6.240569018,11,16,7,3,RNA internal loop KAN AIL4,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1103,Fluorescein lebel tobramycin derivative  (11-FL),"1-({4-amino-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N8O8/c19-3-9-8(27)2-7(22)17(31-9)33-15-5(20)1-6(21)16(14(15)30)34-18-13(29)11(23)12(28)10(32-18)4-25-26-24/h5-18,24,27-30H,1-4,19-23H2/q+1",NUNSOSGFNPAQCX-UHFFFAOYNA-N,C18H37N8O8,Not Found,493.541,-5.657156134,10,15,7,3,RNA internal loop TOB AIL1,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1104,Fluorescein lebel tobramycin derivative  (11-FL),"1-({4-amino-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N8O8/c19-3-9-8(27)2-7(22)17(31-9)33-15-5(20)1-6(21)16(14(15)30)34-18-13(29)11(23)12(28)10(32-18)4-25-26-24/h5-18,24,27-30H,1-4,19-23H2/q+1",NUNSOSGFNPAQCX-UHFFFAOYNA-N,C18H37N8O8,Not Found,493.541,-5.657156134,10,15,7,3,RNA internal loop TOB AIL2,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1105,Fluorescein lebel tobramycin derivative  (11-FL),"1-({4-amino-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N8O8/c19-3-9-8(27)2-7(22)17(31-9)33-15-5(20)1-6(21)16(14(15)30)34-18-13(29)11(23)12(28)10(32-18)4-25-26-24/h5-18,24,27-30H,1-4,19-23H2/q+1",NUNSOSGFNPAQCX-UHFFFAOYNA-N,C18H37N8O8,Not Found,493.541,-5.657156134,10,15,7,3,RNA internal loop TOB AIL3,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1106,Fluorescein lebel tobramycin derivative  (11-FL),"1-({4-amino-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N8O8/c19-3-9-8(27)2-7(22)17(31-9)33-15-5(20)1-6(21)16(14(15)30)34-18-13(29)11(23)12(28)10(32-18)4-25-26-24/h5-18,24,27-30H,1-4,19-23H2/q+1",NUNSOSGFNPAQCX-UHFFFAOYNA-N,C18H37N8O8,Not Found,493.541,-5.657156134,10,15,7,3,RNA internal loop TOB AIL4,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1107,Fluorescein lebel Neamine derivative  (12- FL),"1-{2-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]ethyl}triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN=[N+]=N)C(N)C(O)C1O,"InChI=1/C14H30N7O6/c15-4-7-10(23)11(24)8(18)14(26-7)27-12-6(17)3-5(16)9(22)13(12)25-2-1-20-21-19/h5-14,19,22-24H,1-4,15-18H2/q+1",WMJMNSNUFGWSRJ-UHFFFAOYNA-N,C14H30N7O6,Not Found,392.436,-4.516708881,8,12,7,2,RNA internal loop NEA AIL1,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1108,Fluorescein lebel Neamine derivative  (12- FL),"1-{2-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]ethyl}triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN=[N+]=N)C(N)C(O)C1O,"InChI=1/C14H30N7O6/c15-4-7-10(23)11(24)8(18)14(26-7)27-12-6(17)3-5(16)9(22)13(12)25-2-1-20-21-19/h5-14,19,22-24H,1-4,15-18H2/q+1",WMJMNSNUFGWSRJ-UHFFFAOYNA-N,C14H30N7O6,Not Found,392.436,-4.516708881,8,12,7,2,RNA internal loop NEA AIL2,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1109,Fluorescein lebel Neamine derivative  (12- FL),"1-{2-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]ethyl}triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN=[N+]=N)C(N)C(O)C1O,"InChI=1/C14H30N7O6/c15-4-7-10(23)11(24)8(18)14(26-7)27-12-6(17)3-5(16)9(22)13(12)25-2-1-20-21-19/h5-14,19,22-24H,1-4,15-18H2/q+1",WMJMNSNUFGWSRJ-UHFFFAOYNA-N,C14H30N7O6,Not Found,392.436,-4.516708881,8,12,7,2,RNA internal loop NEA AIL3,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1110,Fluorescein lebel Neamine derivative  (12- FL),"1-{2-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]ethyl}triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN=[N+]=N)C(N)C(O)C1O,"InChI=1/C14H30N7O6/c15-4-7-10(23)11(24)8(18)14(26-7)27-12-6(17)3-5(16)9(22)13(12)25-2-1-20-21-19/h5-14,19,22-24H,1-4,15-18H2/q+1",WMJMNSNUFGWSRJ-UHFFFAOYNA-N,C14H30N7O6,Not Found,392.436,-4.516708881,8,12,7,2,RNA internal loop NEA AIL4,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1111,Fluorescein lebel neomycin B derivative (13-FL),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N9O12/c24-2-7-13(34)15(36)10(28)21(39-7)42-18-6(27)1-5(26)12(33)20(18)44-23-17(38)19(9(41-23)4-31-32-30)43-22-11(29)16(37)14(35)8(3-25)40-22/h5-23,30,33-38H,1-4,24-29H2/q+1",YBAFVHKUDQROGQ-UHFFFAOYNA-N,C23H46N9O12,Not Found,640.671,-7.594833315,13,20,10,4,RNA internal loop NEO AIL1,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1112,Fluorescein lebel neomycin B derivative (13-FL),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N9O12/c24-2-7-13(34)15(36)10(28)21(39-7)42-18-6(27)1-5(26)12(33)20(18)44-23-17(38)19(9(41-23)4-31-32-30)43-22-11(29)16(37)14(35)8(3-25)40-22/h5-23,30,33-38H,1-4,24-29H2/q+1",YBAFVHKUDQROGQ-UHFFFAOYNA-N,C23H46N9O12,Not Found,640.671,-7.594833315,13,20,10,4,RNA internal loop NEO AIL2,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1113,Fluorescein lebel neomycin B derivative (13-FL),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N9O12/c24-2-7-13(34)15(36)10(28)21(39-7)42-18-6(27)1-5(26)12(33)20(18)44-23-17(38)19(9(41-23)4-31-32-30)43-22-11(29)16(37)14(35)8(3-25)40-22/h5-23,30,33-38H,1-4,24-29H2/q+1",YBAFVHKUDQROGQ-UHFFFAOYNA-N,C23H46N9O12,Not Found,640.671,-7.594833315,13,20,10,4,RNA internal loop NEO AIL3,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1114,Fluorescein lebel neomycin B derivative (13-FL),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N9O12/c24-2-7-13(34)15(36)10(28)21(39-7)42-18-6(27)1-5(26)12(33)20(18)44-23-17(38)19(9(41-23)4-31-32-30)43-22-11(29)16(37)14(35)8(3-25)40-22/h5-23,30,33-38H,1-4,24-29H2/q+1",YBAFVHKUDQROGQ-UHFFFAOYNA-N,C23H46N9O12,Not Found,640.671,-7.594833315,13,20,10,4,RNA internal loop NEO AIL4,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1115,Fluorescein lebel kanamycin derivative A (10-FL),"1-({4-amino-6-[(4,6-diamino-3-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C18H36N7O10/c19-2-6-10(27)12(29)13(30)18(32-6)35-16-5(21)1-4(20)15(14(16)31)34-17-11(28)8(22)9(26)7(33-17)3-24-25-23/h4-18,23,26-31H,1-3,19-22H2/q+1",ZWPYJFJRAWFCSL-UHFFFAOYNA-N,C18H36N7O10,Not Found,510.524,-6.240569018,11,16,7,3,RNA library 1,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1116,Fluorescein lebel tobramycin derivative  (11 -FL),"1-({4-amino-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N8O8/c19-3-9-8(27)2-7(22)17(31-9)33-15-5(20)1-6(21)16(14(15)30)34-18-13(29)11(23)12(28)10(32-18)4-25-26-24/h5-18,24,27-30H,1-4,19-23H2/q+1",NUNSOSGFNPAQCX-UHFFFAOYNA-N,C18H37N8O8,Not Found,493.541,-5.657156134,10,15,7,3,RNA library 1,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1117,Fluorescein lebel Neamine derivative  (12 FL),"1-{2-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]ethyl}triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN=[N+]=N)C(N)C(O)C1O,"InChI=1/C14H30N7O6/c15-4-7-10(23)11(24)8(18)14(26-7)27-12-6(17)3-5(16)9(22)13(12)25-2-1-20-21-19/h5-14,19,22-24H,1-4,15-18H2/q+1",WMJMNSNUFGWSRJ-UHFFFAOYNA-N,C14H30N7O6,Not Found,392.436,-4.516708881,8,12,7,2,RNA library 1,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1118,Fluorescein lebel neomycin B derivative (13-FL),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N9O12/c24-2-7-13(34)15(36)10(28)21(39-7)42-18-6(27)1-5(26)12(33)20(18)44-23-17(38)19(9(41-23)4-31-32-30)43-22-11(29)16(37)14(35)8(3-25)40-22/h5-23,30,33-38H,1-4,24-29H2/q+1",YBAFVHKUDQROGQ-UHFFFAOYNA-N,C23H46N9O12,Not Found,640.671,-7.594833315,13,20,10,4,RNA library 1,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1119,Fluorescein lebel kanamycin derivative A (10-FL),"1-({4-amino-6-[(4,6-diamino-3-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C18H36N7O10/c19-2-6-10(27)12(29)13(30)18(32-6)35-16-5(21)1-4(20)15(14(16)31)34-17-11(28)8(22)9(26)7(33-17)3-24-25-23/h4-18,23,26-31H,1-3,19-22H2/q+1",ZWPYJFJRAWFCSL-UHFFFAOYNA-N,C18H36N7O10,Not Found,510.524,-6.240569018,11,16,7,3,E.coli A site (2),This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1120,Fluorescein lebel tobramycin derivative  (11 -FL),"1-({4-amino-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N8O8/c19-3-9-8(27)2-7(22)17(31-9)33-15-5(20)1-6(21)16(14(15)30)34-18-13(29)11(23)12(28)10(32-18)4-25-26-24/h5-18,24,27-30H,1-4,19-23H2/q+1",NUNSOSGFNPAQCX-UHFFFAOYNA-N,C18H37N8O8,Not Found,493.541,-5.657156134,10,15,7,3,E.coli A site (2),This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1121,Fluorescein lebel Neamine derivative  (12 FL),"1-{2-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]ethyl}triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN=[N+]=N)C(N)C(O)C1O,"InChI=1/C14H30N7O6/c15-4-7-10(23)11(24)8(18)14(26-7)27-12-6(17)3-5(16)9(22)13(12)25-2-1-20-21-19/h5-14,19,22-24H,1-4,15-18H2/q+1",WMJMNSNUFGWSRJ-UHFFFAOYNA-N,C14H30N7O6,Not Found,392.436,-4.516708881,8,12,7,2,E.coli A site (2),This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1122,Fluorescein lebel neomycin B derivative (13-FL),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N9O12/c24-2-7-13(34)15(36)10(28)21(39-7)42-18-6(27)1-5(26)12(33)20(18)44-23-17(38)19(9(41-23)4-31-32-30)43-22-11(29)16(37)14(35)8(3-25)40-22/h5-23,30,33-38H,1-4,24-29H2/q+1",YBAFVHKUDQROGQ-UHFFFAOYNA-N,C23H46N9O12,Not Found,640.671,-7.594833315,13,20,10,4,E.coli A site (2),This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1123,Fluorescein lebel tobramycin derivative  (11-FL),"1-({4-amino-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N8O8/c19-3-9-8(27)2-7(22)17(31-9)33-15-5(20)1-6(21)16(14(15)30)34-18-13(29)11(23)12(28)10(32-18)4-25-26-24/h5-18,24,27-30H,1-4,19-23H2/q+1",NUNSOSGFNPAQCX-UHFFFAOYNA-N,C18H37N8O8,Not Found,493.541,-5.657156134,10,15,7,3,RNA internal loop KAN AIL1,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1124,Fluorescein lebel tobramycin derivative  (11-FL),"1-({4-amino-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N8O8/c19-3-9-8(27)2-7(22)17(31-9)33-15-5(20)1-6(21)16(14(15)30)34-18-13(29)11(23)12(28)10(32-18)4-25-26-24/h5-18,24,27-30H,1-4,19-23H2/q+1",NUNSOSGFNPAQCX-UHFFFAOYNA-N,C18H37N8O8,Not Found,493.541,-5.657156134,10,15,7,3,RNA internal loop KAN AIL2,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1125,Fluorescein lebel tobramycin derivative  (11-FL),"1-({4-amino-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N8O8/c19-3-9-8(27)2-7(22)17(31-9)33-15-5(20)1-6(21)16(14(15)30)34-18-13(29)11(23)12(28)10(32-18)4-25-26-24/h5-18,24,27-30H,1-4,19-23H2/q+1",NUNSOSGFNPAQCX-UHFFFAOYNA-N,C18H37N8O8,Not Found,493.541,-5.657156134,10,15,7,3,RNA internal loop KAN AIL3,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1126,Fluorescein lebel tobramycin derivative  (11-FL),"1-({4-amino-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N8O8/c19-3-9-8(27)2-7(22)17(31-9)33-15-5(20)1-6(21)16(14(15)30)34-18-13(29)11(23)12(28)10(32-18)4-25-26-24/h5-18,24,27-30H,1-4,19-23H2/q+1",NUNSOSGFNPAQCX-UHFFFAOYNA-N,C18H37N8O8,Not Found,493.541,-5.657156134,10,15,7,3,RNA internal loop KAN AIL4,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1127,Fluorescein lebel Neamine derivative  (12- FL),"1-{2-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]ethyl}triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN=[N+]=N)C(N)C(O)C1O,"InChI=1/C14H30N7O6/c15-4-7-10(23)11(24)8(18)14(26-7)27-12-6(17)3-5(16)9(22)13(12)25-2-1-20-21-19/h5-14,19,22-24H,1-4,15-18H2/q+1",WMJMNSNUFGWSRJ-UHFFFAOYNA-N,C14H30N7O6,Not Found,392.436,-4.516708881,8,12,7,2,RNA internal loop KAN AIL1,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1128,Fluorescein lebel Neamine derivative  (12- FL),"1-{2-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]ethyl}triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN=[N+]=N)C(N)C(O)C1O,"InChI=1/C14H30N7O6/c15-4-7-10(23)11(24)8(18)14(26-7)27-12-6(17)3-5(16)9(22)13(12)25-2-1-20-21-19/h5-14,19,22-24H,1-4,15-18H2/q+1",WMJMNSNUFGWSRJ-UHFFFAOYNA-N,C14H30N7O6,Not Found,392.436,-4.516708881,8,12,7,2,RNA internal loop KAN AIL2,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1129,Fluorescein lebel Neamine derivative  (12- FL),"1-{2-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]ethyl}triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN=[N+]=N)C(N)C(O)C1O,"InChI=1/C14H30N7O6/c15-4-7-10(23)11(24)8(18)14(26-7)27-12-6(17)3-5(16)9(22)13(12)25-2-1-20-21-19/h5-14,19,22-24H,1-4,15-18H2/q+1",WMJMNSNUFGWSRJ-UHFFFAOYNA-N,C14H30N7O6,Not Found,392.436,-4.516708881,8,12,7,2,RNA internal loop KAN AIL3,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1130,Fluorescein lebel Neamine derivative  (12- FL),"1-{2-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]ethyl}triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN=[N+]=N)C(N)C(O)C1O,"InChI=1/C14H30N7O6/c15-4-7-10(23)11(24)8(18)14(26-7)27-12-6(17)3-5(16)9(22)13(12)25-2-1-20-21-19/h5-14,19,22-24H,1-4,15-18H2/q+1",WMJMNSNUFGWSRJ-UHFFFAOYNA-N,C14H30N7O6,Not Found,392.436,-4.516708881,8,12,7,2,RNA internal loop KAN AIL4,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1131,Fluorescein lebel neomycin B derivative (13-FL),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N9O12/c24-2-7-13(34)15(36)10(28)21(39-7)42-18-6(27)1-5(26)12(33)20(18)44-23-17(38)19(9(41-23)4-31-32-30)43-22-11(29)16(37)14(35)8(3-25)40-22/h5-23,30,33-38H,1-4,24-29H2/q+1",YBAFVHKUDQROGQ-UHFFFAOYNA-N,C23H46N9O12,Not Found,640.671,-7.594833315,13,20,10,4,RNA internal loop KAN AIL1,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1132,Fluorescein lebel neomycin B derivative (13-FL),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N9O12/c24-2-7-13(34)15(36)10(28)21(39-7)42-18-6(27)1-5(26)12(33)20(18)44-23-17(38)19(9(41-23)4-31-32-30)43-22-11(29)16(37)14(35)8(3-25)40-22/h5-23,30,33-38H,1-4,24-29H2/q+1",YBAFVHKUDQROGQ-UHFFFAOYNA-N,C23H46N9O12,Not Found,640.671,-7.594833315,13,20,10,4,RNA internal loop KAN AIL2,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1133,Fluorescein lebel neomycin B derivative (13-FL),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N9O12/c24-2-7-13(34)15(36)10(28)21(39-7)42-18-6(27)1-5(26)12(33)20(18)44-23-17(38)19(9(41-23)4-31-32-30)43-22-11(29)16(37)14(35)8(3-25)40-22/h5-23,30,33-38H,1-4,24-29H2/q+1",YBAFVHKUDQROGQ-UHFFFAOYNA-N,C23H46N9O12,Not Found,640.671,-7.594833315,13,20,10,4,RNA internal loop KAN AIL3,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1134,Fluorescein lebel neomycin B derivative (13-FL),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N9O12/c24-2-7-13(34)15(36)10(28)21(39-7)42-18-6(27)1-5(26)12(33)20(18)44-23-17(38)19(9(41-23)4-31-32-30)43-22-11(29)16(37)14(35)8(3-25)40-22/h5-23,30,33-38H,1-4,24-29H2/q+1",YBAFVHKUDQROGQ-UHFFFAOYNA-N,C23H46N9O12,Not Found,640.671,-7.594833315,13,20,10,4,RNA internal loop KAN AIL4,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1135,Fluorescein lebel kanamycin derivative A (10- FL),"1-({4-amino-6-[(4,6-diamino-3-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C18H36N7O10/c19-2-6-10(27)12(29)13(30)18(32-6)35-16-5(21)1-4(20)15(14(16)31)34-17-11(28)8(22)9(26)7(33-17)3-24-25-23/h4-18,23,26-31H,1-3,19-22H2/q+1",ZWPYJFJRAWFCSL-UHFFFAOYNA-N,C18H36N7O10,Not Found,510.524,-6.240569018,11,16,7,3,RNA internal loop TOB AIL1,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1136,Fluorescein lebel kanamycin derivative A (10- FL),"1-({4-amino-6-[(4,6-diamino-3-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C18H36N7O10/c19-2-6-10(27)12(29)13(30)18(32-6)35-16-5(21)1-4(20)15(14(16)31)34-17-11(28)8(22)9(26)7(33-17)3-24-25-23/h4-18,23,26-31H,1-3,19-22H2/q+1",ZWPYJFJRAWFCSL-UHFFFAOYNA-N,C18H36N7O10,Not Found,510.524,-6.240569018,11,16,7,3,RNA internal loop TOB AIL2,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1137,Fluorescein lebel kanamycin derivative A (10- FL),"1-({4-amino-6-[(4,6-diamino-3-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C18H36N7O10/c19-2-6-10(27)12(29)13(30)18(32-6)35-16-5(21)1-4(20)15(14(16)31)34-17-11(28)8(22)9(26)7(33-17)3-24-25-23/h4-18,23,26-31H,1-3,19-22H2/q+1",ZWPYJFJRAWFCSL-UHFFFAOYNA-N,C18H36N7O10,Not Found,510.524,-6.240569018,11,16,7,3,RNA internal loop TOB AIL3,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1138,Fluorescein lebel kanamycin derivative A (10- FL),"1-({4-amino-6-[(4,6-diamino-3-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C18H36N7O10/c19-2-6-10(27)12(29)13(30)18(32-6)35-16-5(21)1-4(20)15(14(16)31)34-17-11(28)8(22)9(26)7(33-17)3-24-25-23/h4-18,23,26-31H,1-3,19-22H2/q+1",ZWPYJFJRAWFCSL-UHFFFAOYNA-N,C18H36N7O10,Not Found,510.524,-6.240569018,11,16,7,3,RNA internal loop TOB AIL4,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1139,Fluorescein lebel Neamine derivative  (12- FL),"1-{2-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]ethyl}triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN=[N+]=N)C(N)C(O)C1O,"InChI=1/C14H30N7O6/c15-4-7-10(23)11(24)8(18)14(26-7)27-12-6(17)3-5(16)9(22)13(12)25-2-1-20-21-19/h5-14,19,22-24H,1-4,15-18H2/q+1",WMJMNSNUFGWSRJ-UHFFFAOYNA-N,C14H30N7O6,Not Found,392.436,-4.516708881,8,12,7,2,RNA internal loop TOB AIL1,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1140,Fluorescein lebel Neamine derivative  (12- FL),"1-{2-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]ethyl}triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN=[N+]=N)C(N)C(O)C1O,"InChI=1/C14H30N7O6/c15-4-7-10(23)11(24)8(18)14(26-7)27-12-6(17)3-5(16)9(22)13(12)25-2-1-20-21-19/h5-14,19,22-24H,1-4,15-18H2/q+1",WMJMNSNUFGWSRJ-UHFFFAOYNA-N,C14H30N7O6,Not Found,392.436,-4.516708881,8,12,7,2,RNA internal loop TOB AIL2,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1141,Fluorescein lebel Neamine derivative  (12- FL),"1-{2-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]ethyl}triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN=[N+]=N)C(N)C(O)C1O,"InChI=1/C14H30N7O6/c15-4-7-10(23)11(24)8(18)14(26-7)27-12-6(17)3-5(16)9(22)13(12)25-2-1-20-21-19/h5-14,19,22-24H,1-4,15-18H2/q+1",WMJMNSNUFGWSRJ-UHFFFAOYNA-N,C14H30N7O6,Not Found,392.436,-4.516708881,8,12,7,2,RNA internal loop TOB AIL3,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1142,Fluorescein lebel Neamine derivative  (12- FL),"1-{2-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]ethyl}triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN=[N+]=N)C(N)C(O)C1O,"InChI=1/C14H30N7O6/c15-4-7-10(23)11(24)8(18)14(26-7)27-12-6(17)3-5(16)9(22)13(12)25-2-1-20-21-19/h5-14,19,22-24H,1-4,15-18H2/q+1",WMJMNSNUFGWSRJ-UHFFFAOYNA-N,C14H30N7O6,Not Found,392.436,-4.516708881,8,12,7,2,RNA internal loop TOB AIL4,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1143,Fluorescein lebel neomycin B derivative (13-FL),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N9O12/c24-2-7-13(34)15(36)10(28)21(39-7)42-18-6(27)1-5(26)12(33)20(18)44-23-17(38)19(9(41-23)4-31-32-30)43-22-11(29)16(37)14(35)8(3-25)40-22/h5-23,30,33-38H,1-4,24-29H2/q+1",YBAFVHKUDQROGQ-UHFFFAOYNA-N,C23H46N9O12,Not Found,640.671,-7.594833315,13,20,10,4,RNA internal loop TOB AIL1,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1144,Fluorescein lebel neomycin B derivative (13-FL),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N9O12/c24-2-7-13(34)15(36)10(28)21(39-7)42-18-6(27)1-5(26)12(33)20(18)44-23-17(38)19(9(41-23)4-31-32-30)43-22-11(29)16(37)14(35)8(3-25)40-22/h5-23,30,33-38H,1-4,24-29H2/q+1",YBAFVHKUDQROGQ-UHFFFAOYNA-N,C23H46N9O12,Not Found,640.671,-7.594833315,13,20,10,4,RNA internal loop TOB AIL2,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1145,Fluorescein lebel neomycin B derivative (13-FL),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N9O12/c24-2-7-13(34)15(36)10(28)21(39-7)42-18-6(27)1-5(26)12(33)20(18)44-23-17(38)19(9(41-23)4-31-32-30)43-22-11(29)16(37)14(35)8(3-25)40-22/h5-23,30,33-38H,1-4,24-29H2/q+1",YBAFVHKUDQROGQ-UHFFFAOYNA-N,C23H46N9O12,Not Found,640.671,-7.594833315,13,20,10,4,RNA internal loop TOB AIL3,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1146,Fluorescein lebel neomycin B derivative (13-FL),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N9O12/c24-2-7-13(34)15(36)10(28)21(39-7)42-18-6(27)1-5(26)12(33)20(18)44-23-17(38)19(9(41-23)4-31-32-30)43-22-11(29)16(37)14(35)8(3-25)40-22/h5-23,30,33-38H,1-4,24-29H2/q+1",YBAFVHKUDQROGQ-UHFFFAOYNA-N,C23H46N9O12,Not Found,640.671,-7.594833315,13,20,10,4,RNA internal loop TOB AIL4,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1147,Fluorescein lebel kanamycin derivative A (10- FL),"1-({4-amino-6-[(4,6-diamino-3-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C18H36N7O10/c19-2-6-10(27)12(29)13(30)18(32-6)35-16-5(21)1-4(20)15(14(16)31)34-17-11(28)8(22)9(26)7(33-17)3-24-25-23/h4-18,23,26-31H,1-3,19-22H2/q+1",ZWPYJFJRAWFCSL-UHFFFAOYNA-N,C18H36N7O10,Not Found,510.524,-6.240569018,11,16,7,3,RNA internal loop NEA AIL1,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1148,Fluorescein lebel kanamycin derivative A (10- FL),"1-({4-amino-6-[(4,6-diamino-3-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C18H36N7O10/c19-2-6-10(27)12(29)13(30)18(32-6)35-16-5(21)1-4(20)15(14(16)31)34-17-11(28)8(22)9(26)7(33-17)3-24-25-23/h4-18,23,26-31H,1-3,19-22H2/q+1",ZWPYJFJRAWFCSL-UHFFFAOYNA-N,C18H36N7O10,Not Found,510.524,-6.240569018,11,16,7,3,RNA internal loop NEA AIL2,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1149,Fluorescein lebel kanamycin derivative A (10- FL),"1-({4-amino-6-[(4,6-diamino-3-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C18H36N7O10/c19-2-6-10(27)12(29)13(30)18(32-6)35-16-5(21)1-4(20)15(14(16)31)34-17-11(28)8(22)9(26)7(33-17)3-24-25-23/h4-18,23,26-31H,1-3,19-22H2/q+1",ZWPYJFJRAWFCSL-UHFFFAOYNA-N,C18H36N7O10,Not Found,510.524,-6.240569018,11,16,7,3,RNA internal loop NEA AIL3,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1150,Fluorescein lebel kanamycin derivative A (10- FL),"1-({4-amino-6-[(4,6-diamino-3-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C18H36N7O10/c19-2-6-10(27)12(29)13(30)18(32-6)35-16-5(21)1-4(20)15(14(16)31)34-17-11(28)8(22)9(26)7(33-17)3-24-25-23/h4-18,23,26-31H,1-3,19-22H2/q+1",ZWPYJFJRAWFCSL-UHFFFAOYNA-N,C18H36N7O10,Not Found,510.524,-6.240569018,11,16,7,3,RNA internal loop NEA AIL4,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1151,Fluorescein lebel tobramycin derivative  (11-FL),"1-({4-amino-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N8O8/c19-3-9-8(27)2-7(22)17(31-9)33-15-5(20)1-6(21)16(14(15)30)34-18-13(29)11(23)12(28)10(32-18)4-25-26-24/h5-18,24,27-30H,1-4,19-23H2/q+1",NUNSOSGFNPAQCX-UHFFFAOYNA-N,C18H37N8O8,Not Found,493.541,-5.657156134,10,15,7,3,RNA internal loop NEA AIL1,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1152,Fluorescein lebel tobramycin derivative  (11-FL),"1-({4-amino-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N8O8/c19-3-9-8(27)2-7(22)17(31-9)33-15-5(20)1-6(21)16(14(15)30)34-18-13(29)11(23)12(28)10(32-18)4-25-26-24/h5-18,24,27-30H,1-4,19-23H2/q+1",NUNSOSGFNPAQCX-UHFFFAOYNA-N,C18H37N8O8,Not Found,493.541,-5.657156134,10,15,7,3,RNA internal loop NEA AIL3,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1153,Fluorescein lebel tobramycin derivative  (11-FL),"1-({4-amino-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N8O8/c19-3-9-8(27)2-7(22)17(31-9)33-15-5(20)1-6(21)16(14(15)30)34-18-13(29)11(23)12(28)10(32-18)4-25-26-24/h5-18,24,27-30H,1-4,19-23H2/q+1",NUNSOSGFNPAQCX-UHFFFAOYNA-N,C18H37N8O8,Not Found,493.541,-5.657156134,10,15,7,3,RNA internal loop NEA AIL4,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1154,Fluorescein lebel neomycin B derivative (13-FL),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N9O12/c24-2-7-13(34)15(36)10(28)21(39-7)42-18-6(27)1-5(26)12(33)20(18)44-23-17(38)19(9(41-23)4-31-32-30)43-22-11(29)16(37)14(35)8(3-25)40-22/h5-23,30,33-38H,1-4,24-29H2/q+1",YBAFVHKUDQROGQ-UHFFFAOYNA-N,C23H46N9O12,Not Found,640.671,-7.594833315,13,20,10,4,RNA internal loop NEA AIL1,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1155,Fluorescein lebel neomycin B derivative (13-FL),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N9O12/c24-2-7-13(34)15(36)10(28)21(39-7)42-18-6(27)1-5(26)12(33)20(18)44-23-17(38)19(9(41-23)4-31-32-30)43-22-11(29)16(37)14(35)8(3-25)40-22/h5-23,30,33-38H,1-4,24-29H2/q+1",YBAFVHKUDQROGQ-UHFFFAOYNA-N,C23H46N9O12,Not Found,640.671,-7.594833315,13,20,10,4,RNA internal loop NEA AIL2,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1156,Fluorescein lebel neomycin B derivative (13-FL),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N9O12/c24-2-7-13(34)15(36)10(28)21(39-7)42-18-6(27)1-5(26)12(33)20(18)44-23-17(38)19(9(41-23)4-31-32-30)43-22-11(29)16(37)14(35)8(3-25)40-22/h5-23,30,33-38H,1-4,24-29H2/q+1",YBAFVHKUDQROGQ-UHFFFAOYNA-N,C23H46N9O12,Not Found,640.671,-7.594833315,13,20,10,4,RNA internal loop NEA AIL3,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1157,Fluorescein lebel neomycin B derivative (13-FL),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N9O12/c24-2-7-13(34)15(36)10(28)21(39-7)42-18-6(27)1-5(26)12(33)20(18)44-23-17(38)19(9(41-23)4-31-32-30)43-22-11(29)16(37)14(35)8(3-25)40-22/h5-23,30,33-38H,1-4,24-29H2/q+1",YBAFVHKUDQROGQ-UHFFFAOYNA-N,C23H46N9O12,Not Found,640.671,-7.594833315,13,20,10,4,RNA internal loop NEA AIL4,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1158,Fluorescein lebel kanamycin derivative A (10- FL),"1-({4-amino-6-[(4,6-diamino-3-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C18H36N7O10/c19-2-6-10(27)12(29)13(30)18(32-6)35-16-5(21)1-4(20)15(14(16)31)34-17-11(28)8(22)9(26)7(33-17)3-24-25-23/h4-18,23,26-31H,1-3,19-22H2/q+1",ZWPYJFJRAWFCSL-UHFFFAOYNA-N,C18H36N7O10,Not Found,510.524,-6.240569018,11,16,7,3,RNA internal loop NEO AIL1,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1159,Fluorescein lebel kanamycin derivative A (10- FL),"1-({4-amino-6-[(4,6-diamino-3-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C18H36N7O10/c19-2-6-10(27)12(29)13(30)18(32-6)35-16-5(21)1-4(20)15(14(16)31)34-17-11(28)8(22)9(26)7(33-17)3-24-25-23/h4-18,23,26-31H,1-3,19-22H2/q+1",ZWPYJFJRAWFCSL-UHFFFAOYNA-N,C18H36N7O10,Not Found,510.524,-6.240569018,11,16,7,3,RNA internal loop NEO AIL2,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1160,Fluorescein lebel kanamycin derivative A (10- FL),"1-({4-amino-6-[(4,6-diamino-3-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C18H36N7O10/c19-2-6-10(27)12(29)13(30)18(32-6)35-16-5(21)1-4(20)15(14(16)31)34-17-11(28)8(22)9(26)7(33-17)3-24-25-23/h4-18,23,26-31H,1-3,19-22H2/q+1",ZWPYJFJRAWFCSL-UHFFFAOYNA-N,C18H36N7O10,Not Found,510.524,-6.240569018,11,16,7,3,RNA internal loop NEO AIL3,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1161,Fluorescein lebel kanamycin derivative A (10- FL),"1-({4-amino-6-[(4,6-diamino-3-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C18H36N7O10/c19-2-6-10(27)12(29)13(30)18(32-6)35-16-5(21)1-4(20)15(14(16)31)34-17-11(28)8(22)9(26)7(33-17)3-24-25-23/h4-18,23,26-31H,1-3,19-22H2/q+1",ZWPYJFJRAWFCSL-UHFFFAOYNA-N,C18H36N7O10,Not Found,510.524,-6.240569018,11,16,7,3,RNA internal loop NEO AIL4,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1162,Fluorescein lebel tobramycin derivative  (11-FL),"1-({4-amino-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N8O8/c19-3-9-8(27)2-7(22)17(31-9)33-15-5(20)1-6(21)16(14(15)30)34-18-13(29)11(23)12(28)10(32-18)4-25-26-24/h5-18,24,27-30H,1-4,19-23H2/q+1",NUNSOSGFNPAQCX-UHFFFAOYNA-N,C18H37N8O8,Not Found,493.541,-5.657156134,10,15,7,3,RNA internal loop NEO AIL1,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1163,Fluorescein lebel tobramycin derivative  (11-FL),"1-({4-amino-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N8O8/c19-3-9-8(27)2-7(22)17(31-9)33-15-5(20)1-6(21)16(14(15)30)34-18-13(29)11(23)12(28)10(32-18)4-25-26-24/h5-18,24,27-30H,1-4,19-23H2/q+1",NUNSOSGFNPAQCX-UHFFFAOYNA-N,C18H37N8O8,Not Found,493.541,-5.657156134,10,15,7,3,RNA internal loop NEO AIL2,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1164,Fluorescein lebel tobramycin derivative  (11-FL),"1-({4-amino-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N8O8/c19-3-9-8(27)2-7(22)17(31-9)33-15-5(20)1-6(21)16(14(15)30)34-18-13(29)11(23)12(28)10(32-18)4-25-26-24/h5-18,24,27-30H,1-4,19-23H2/q+1",NUNSOSGFNPAQCX-UHFFFAOYNA-N,C18H37N8O8,Not Found,493.541,-5.657156134,10,15,7,3,RNA internal loop NEO AIL3,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1165,Fluorescein lebel tobramycin derivative  (11-FL),"1-({4-amino-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(OC3OC(CN=[N+]=N)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N8O8/c19-3-9-8(27)2-7(22)17(31-9)33-15-5(20)1-6(21)16(14(15)30)34-18-13(29)11(23)12(28)10(32-18)4-25-26-24/h5-18,24,27-30H,1-4,19-23H2/q+1",NUNSOSGFNPAQCX-UHFFFAOYNA-N,C18H37N8O8,Not Found,493.541,-5.657156134,10,15,7,3,RNA internal loop NEO AIL4,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1166,Fluorescein lebel Neamine derivative  (12- FL),"1-{2-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]ethyl}triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN=[N+]=N)C(N)C(O)C1O,"InChI=1/C14H30N7O6/c15-4-7-10(23)11(24)8(18)14(26-7)27-12-6(17)3-5(16)9(22)13(12)25-2-1-20-21-19/h5-14,19,22-24H,1-4,15-18H2/q+1",WMJMNSNUFGWSRJ-UHFFFAOYNA-N,C14H30N7O6,Not Found,392.436,-4.516708881,8,12,7,2,RNA internal loop NEO AIL1,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1167,Fluorescein lebel Neamine derivative  (12- FL),"1-{2-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]ethyl}triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN=[N+]=N)C(N)C(O)C1O,"InChI=1/C14H30N7O6/c15-4-7-10(23)11(24)8(18)14(26-7)27-12-6(17)3-5(16)9(22)13(12)25-2-1-20-21-19/h5-14,19,22-24H,1-4,15-18H2/q+1",WMJMNSNUFGWSRJ-UHFFFAOYNA-N,C14H30N7O6,Not Found,392.436,-4.516708881,8,12,7,2,RNA internal loop NEO AIL2,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1168,Fluorescein lebel Neamine derivative  (12- FL),"1-{2-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]ethyl}triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN=[N+]=N)C(N)C(O)C1O,"InChI=1/C14H30N7O6/c15-4-7-10(23)11(24)8(18)14(26-7)27-12-6(17)3-5(16)9(22)13(12)25-2-1-20-21-19/h5-14,19,22-24H,1-4,15-18H2/q+1",WMJMNSNUFGWSRJ-UHFFFAOYNA-N,C14H30N7O6,Not Found,392.436,-4.516708881,8,12,7,2,RNA internal loop NEO AIL3,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1169,Fluorescein lebel Neamine derivative  (12- FL),"1-{2-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]ethyl}triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(O)C2OCCN=[N+]=N)C(N)C(O)C1O,"InChI=1/C14H30N7O6/c15-4-7-10(23)11(24)8(18)14(26-7)27-12-6(17)3-5(16)9(22)13(12)25-2-1-20-21-19/h5-14,19,22-24H,1-4,15-18H2/q+1",WMJMNSNUFGWSRJ-UHFFFAOYNA-N,C14H30N7O6,Not Found,392.436,-4.516708881,8,12,7,2,RNA internal loop NEO AIL4,This aminoglycoside compound binds to bacterial rRNA A-site-like internal loop. The aminoglycoside compound selects it?s therapeutic target if given a choice of binding all possible internal loops derived from an A-site-like library and as a result the bacterial rRNA A-site was not selected by any aminoglycoside. Unique RNA internal loops are selected by each aminoglycoside that have dissociation constants ranging from 25 to 270 nM and that internal loop is specific for a particular aminoglycoside for binding compared to the other aminoglycosides.,20108982,,,,,,"Tran T, Disney MD. Two-dimensional combinatorial screening of a bacterial rRNA A-site-like motif library: defining privileged asymmetric internal loops that bind aminoglycosides. Biochemistry. 2010 Mar 9;49(9):1833-42. doi: 10.1021/bi901998m. PMID: 20108982; PMCID: PMC2846769.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20108982/,,,,,,Not Found,No,No,,,,
DBoRL1170,5-Azacytosine,"6-amino-1,2-dihydro-1,3,5-triazin-2-one",Nc1ncnc(=O)[nH]1,"InChI=1S/C3H4N4O/c4-2-5-1-6-3(8)7-2/h1H,(H3,4,5,6,7,8)",MFEFTTYGMZOIKO-UHFFFAOYSA-N,C3H4N4O,"931-86-2,1118000-83-1,4040-10-2,1216950-61-6",112.092,-1.50538181,2,4,0,1,mc6 RNA Riboswitch,The mc6 RNA Riboswitch is a reengineered riboswitch with which 5-Azacytosine interact. ,20133756,,,,,,"Dixon N, Duncan JN, Geerlings T, Dunstan MS, McCarthy JE, Leys D, Micklefield J. Reengineering orthogonally selective riboswitches. Proc Natl Acad Sci U S A. 2010 Feb 16;107(7):2830-5. doi: 10.1073/pnas.0911209107. Epub 2010 Jan 26. PMID: 20133756; PMCID: PMC2840279.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20133756/,,,,,,19956,No,No,,,,
DBoRL1171,Viomycin,"3,6-diamino-N-[3-(2-amino-6-hydroxy-1,4,5,6-tetrahydropyrimidin-4-yl)-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-15-yl]hexanamide",NCCCC(N)CC(=O)NC1CNC(=O)C(C2CC(O)NC(N)=N2)NC(=O)C(=CNC(N)=O)NC(=O)C(CO)NC(=O)C(CO)NC1=O,"InChI=1/C25H43N13O10/c26-3-1-2-10(27)4-16(41)32-12-6-30-23(47)18(11-5-17(42)37-24(28)36-11)38-20(44)13(7-31-25(29)48)33-21(45)14(8-39)35-22(46)15(9-40)34-19(12)43/h7,10-12,14-15,17-18,39-40,42H,1-6,8-9,26-27H2,(H,30,47)(H,32,41)(H,33,45)(H,34,43)(H,35,46)(H,38,44)(H3,28,36,37)(H3,29,31,48)",GXFAIFRPOKBQRV-UHFFFAOYNA-N,C25H43N13O10,Not Found,685.7,-10.98270432,15,15,10,2,70S ribosome,"Viomycin, which belongs to tuberactinomycin family of antibiotics, is most effective antibiotic against multidrug-resistant tuberculosis. Viomycin bound to the 70S ribosome which form complex with 3 tRNAs. The antibiotic bind to the same site on the ribosome, which lies at the interface between helix 44 (h44) of the small ribosomal subunit and Helix 69 (H69) of the large ribosomal subunit. So, this way viomycin inhibit translocation by stabilizing the tRNA in the A site in the pre-translocation state.",20154709,,,,,,"Stanley RE, Blaha G, Grodzicki RL, Strickler MD, Steitz TA. The structures of the anti-tuberculosis antibiotics viomycin and capreomycin bound to the 70S ribosome. Nat Struct Mol Biol. 2010 Mar;17(3):289-93. doi: 10.1038/nsmb.1755. Epub 2010 Feb 14. PMID: 20154709; PMCID: PMC2917106.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20154709/,,,,,,14973,Yes,Yes,,DB06827,https://go.drugbank.com/drugs/DB06827,This is the isomeric form of the drug approved by USFDA.
DBoRL1172,Neomycin,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2",PGBHMTALBVVCIT-UHFFFAOYNA-N,C23H46N6O13,Not Found,614.65,-8.415177746,13,19,9,4,Intramolecular triplex: 5'-[dA12-x-dT12-x-dT12]-3' (x= hexaethylene glycol),Neomycin binds with intramolecular triplex of RNA & stabilizes it.,20167243,,,,,,"Xi H, Kumar S, Dosen-Micovic L, Arya DP. Calorimetric and spectroscopic studies of aminoglycoside binding to AT-rich DNA triple helices. Biochimie. 2010 May;92(5):514-29. doi: 10.1016/j.biochi.2010.02.004. Epub 2010 Feb 16. PMID: 20167243; PMCID: PMC3977217.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20167243/,,,,,,4454,Yes,Yes,,DB00452,https://go.drugbank.com/drugs/DB00452,
DBoRL1173,Paromomycin,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2",UOZODPSAJZTQNH-UHFFFAOYNA-N,C23H45N5O14,Not Found,615.634,-8.308295949,13,19,9,4,Intramolecular triplex: 5'-[dA12-x-dT12-x-dT12]-3' (x= hexaethylene glycol),Paromomycin binds with intramolecular triplex of RNA & stabilizes it.,20167243,,,,,,"Xi H, Kumar S, Dosen-Micovic L, Arya DP. Calorimetric and spectroscopic studies of aminoglycoside binding to AT-rich DNA triple helices. Biochimie. 2010 May;92(5):514-29. doi: 10.1016/j.biochi.2010.02.004. Epub 2010 Feb 16. PMID: 20167243; PMCID: PMC3977217.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20167243/,,,,,,4689,Yes,Yes,Investigational,DB01421,https://go.drugbank.com/drugs/DB01421,
DBoRL1174,Ribostamycin,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(O)C2O)C(N)C(O)C1O,"InChI=1/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2",NSKGQURZWSPSBC-UHFFFAOYNA-N,C17H34N4O10,Not Found,454.477,-6.430578507,10,14,6,3,Intramolecular triplex: 5'-[dA12-x-dT12-x-dT12]-3' (x= hexaethylene glycol),Ribostamycin binds with intramolecular triplex of RNA & stabilizes it.,20167243,,,,,,"Xi H, Kumar S, Dosen-Micovic L, Arya DP. Calorimetric and spectroscopic studies of aminoglycoside binding to AT-rich DNA triple helices. Biochimie. 2010 May;92(5):514-29. doi: 10.1016/j.biochi.2010.02.004. Epub 2010 Feb 16. PMID: 20167243; PMCID: PMC3977217.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20167243/,,,,,,5066,Yes,Yes,Experimental,DB03615,https://go.drugbank.com/drugs/DB03615,
DBoRL1175,Thiazole orange (TO),"3-methyl-2-{[(4E)-1-methyl-1,4-dihydroquinolin-4-ylidene]methyl}-1,3-benzothiazol-3-ium",CN1C=C\C(=C/C2=[N+](C)C3=C(S2)C=CC=C3)C2=C1C=CC=C2,"InChI=1S/C19H17N2S/c1-20-12-11-14(15-7-3-4-8-16(15)20)13-19-21(2)17-9-5-6-10-18(17)22-19/h3-13H,1-2H3/q+1",XRXJDLHDDHBJOJ-UHFFFAOYSA-N,C19H17N2S,"24144-08-9,24144-08-9",305.42,0.235872032,0,1,1,4,triplexe: poly(dG-dG)-poly(dC),During the incubation of Thiazole orange (TO) with tRNA results in the formation of a fluorescent complex between the dye and the RNA.,20329708,,,,,,"Lubitz I, Zikich D, Kotlyar A. Specific high-affinity binding of thiazole orange to triplex and G-quadruplex DNA. Biochemistry. 2010 May 4;49(17):3567-74. doi: 10.1021/bi1000849. PMID: 20329708.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20329708/,,,,,,123859,No,No,,,,
DBoRL1176,Sanguinarine,"24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0?,??.0?,?.0??,??.0??,??]tetracosa-1(13),2(10),3,8,11,14(22),15,17(21),23-nonaen-24-ium",C[N+]1=CC2=C3OCOC3=CC=C2C2=C1C1=C(C=C2)C=C2OCOC2=C1,"InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1",INVGWHRKADIJHF-UHFFFAOYSA-N,C20H14NO4,2447-54-3,332.334,-0.943496642,0,4,0,6,Poly(A)poly(U),"Sanguinarine, an anticancer alkaloid, binds with poly(A).poly(U) sequence of double stranded RNA. The binding of sanguinarine stabilized the melting of poly(A).poly(U) sequence of the double stranded RNA.",20442937,,,,,,"Chowdhury SR, Islam MM, Kumar GS. Binding of the anticancer alkaloid sanguinarine to double stranded RNAs: insights into the structural and energetics aspects. Mol Biosyst. 2010 Jul;6(7):1265-76. doi: 10.1039/b927001a. Epub 2010 May 4. PMID: 20442937.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20442937/,,,,,,5154,No,No,,,,
DBoRL1177,Sanguinarine,"24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0?,??.0?,?.0??,??.0??,??]tetracosa-1(13),2(10),3,8,11,14(22),15,17(21),23-nonaen-24-ium",C[N+]1=CC2=C3OCOC3=CC=C2C2=C1C1=C(C=C2)C=C2OCOC2=C1,"InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1",INVGWHRKADIJHF-UHFFFAOYSA-N,C20H14NO4,2447-54-3,332.334,-0.943496642,0,4,0,6,Poly(C)poly(G),"Sanguinarine, an anticancer alkaloid, binds with poly(C).poly(G) sequence of double stranded RNA. The binding of sanguinarine stabilized the melting of poly(C).poly(G) sequence of the double stranded RNA.",20442937,,,,,,"Chowdhury SR, Islam MM, Kumar GS. Binding of the anticancer alkaloid sanguinarine to double stranded RNAs: insights into the structural and energetics aspects. Mol Biosyst. 2010 Jul;6(7):1265-76. doi: 10.1039/b927001a. Epub 2010 May 4. PMID: 20442937.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20442937/,,,,,,5154,No,No,,,,
DBoRL1178,Sanguinarine,"24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0?,??.0?,?.0??,??.0??,??]tetracosa-1(13),2(10),3,8,11,14(22),15,17(21),23-nonaen-24-ium",C[N+]1=CC2=C3OCOC3=CC=C2C2=C1C1=C(C=C2)C=C2OCOC2=C1,"InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1",INVGWHRKADIJHF-UHFFFAOYSA-N,C20H14NO4,2447-54-3,332.334,-0.943496642,0,4,0,6,Poly(I)poly(C),"Sanguinarine, an anticancer alkaloid, binds with poly(I).poly(C) sequence of double stranded RNA. The binding of sanguinarine stabilized the melting of poly(I).poly(C) sequence of the double stranded RNA.",20442937,,,,,,"Chowdhury SR, Islam MM, Kumar GS. Binding of the anticancer alkaloid sanguinarine to double stranded RNAs: insights into the structural and energetics aspects. Mol Biosyst. 2010 Jul;6(7):1265-76. doi: 10.1039/b927001a. Epub 2010 May 4. PMID: 20442937.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20442937/,,,,,,5154,No,No,,,,
DBoRL1179,Ribostamycin,"(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2-{[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl]oxy}oxane-3,4-diol",NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2OC2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,"InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17?/m1/s1",NSKGQURZWSPSBC-IOEFKOJYSA-N,C17H34N4O10,Not Found,454.477,-6.430578507,10,14,6,3,2KxM RNA (27-MER),N1 riboswitch complexed with ribostamycin identifies structural determinants for its regulatory activity and suggests a ligand binding mechanism based on conformational capture.,20632338,,,,,,"Duchardt-Ferner E, Weigand JE, Ohlenschl?ger O, Schmidtke SR, Suess B, W?hnert J. Highly modular structure and ligand binding by conformational capture in a minimalistic riboswitch. Angew Chem Int Ed Engl. 2010 Aug 16;49(35):6216-9. doi: 10.1002/anie.201001339. PMID: 20632338.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20632338/,,,,,,53486171,Yes,Yes,Experimental,DB03615,https://go.drugbank.com/drugs/DB03615,
DBoRL1180,"(6S)-5,6,7,8-Tetrahydrofolate","2-[(4-{[(2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid",Nc1nc2c(c(=O)[nH]1)NC(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2,"InChI=1/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)",MSTNYGQPCMXVAQ-UHFFFAOYNA-N,C19H23N7O6,Not Found,445.436,-2.018126522,8,11,9,3,RNA aptamer from A. metalliredigen,"This specific RNA aptamer (occasionally resideingupstream) binds with (6S)-5,6,7,8-Tetrahydrofolate and controls translation initiation.",20659680,,,,,,"Ames TD, Rodionov DA, Weinberg Z, Breaker RR. A eubacterial riboswitch class that senses the coenzyme tetrahydrofolate. Chem Biol. 2010 Jul 30;17(7):681-5. doi: 10.1016/j.chembiol.2010.05.020. PMID: 20659680; PMCID: PMC3417113.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20659680/,,,,,,135402046,Yes,No,Experimental,DB02031,https://go.drugbank.com/drugs/DB02031,
DBoRL1181,Dihydrofolic acid,"2-[(4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid",Nc1nc2c(c(=O)[nH]1)N=C(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2,"InChI=1/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)",OZRNSSUDZOLUSN-UHFFFAOYNA-N,C19H21N7O6,Not Found,443.42,-1.684583607,7,11,9,3,RNA aptamer from A. metalliredigen,This specific RNA aptamer (occasionally resideingupstream) binds with dihydrofolic acid and controls translation initiation.,20659680,,,,,,"Ames TD, Rodionov DA, Weinberg Z, Breaker RR. A eubacterial riboswitch class that senses the coenzyme tetrahydrofolate. Chem Biol. 2010 Jul 30;17(7):681-5. doi: 10.1016/j.chembiol.2010.05.020. PMID: 20659680; PMCID: PMC3417113.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20659680/,,,,,,135402025,Yes,No,Experimental,DB02015,https://go.drugbank.com/drugs/DB02015,
DBoRL1182,Disulfide Derivative 0,N-{1-[2-({1-[(6-aminohexyl)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidin-1-yl]-3-({3-[2-({1-[(6-aminohexyl)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidin-1-yl]-2-[(2-ethylquinolin-4-yl)formamido]-3-oxopropyl}disulfanyl)-1-oxopropan-2-yl}-2-ethylquinoline-3-carboxamide,CCc1cc(C(=O)NC(CSSCC(NC(=O)c2cc3ccccc3nc2CC)C(=O)N2CCCC2C(=O)NC(Cc2ccccc2)C(=O)NCCCCCCN)C(=O)N2CCCC2C(=O)NC(Cc2ccccc2)C(=O)NCCCCCCN)c2ccccc2n1,"InChI=1/C70H90N12O8S2/c1-3-50-44-52(51-30-16-18-32-56(51)75-50)63(83)79-59(69(89)81-39-23-33-61(81)67(87)77-57(41-47-25-11-9-12-26-47)65(85)73-37-21-7-5-19-35-71)45-91-92-46-60(80-64(84)53-43-49-29-15-17-31-55(49)76-54(53)4-2)70(90)82-40-24-34-62(82)68(88)78-58(42-48-27-13-10-14-28-48)66(86)74-38-22-8-6-20-36-72/h9-18,25-32,43-44,57-62H,3-8,19-24,33-42,45-46,71-72H2,1-2H3,(H,73,85)(H,74,86)(H,77,87)(H,78,88)(H,79,83)(H,80,84)",ZGXOVRZUTHCKTC-UHFFFAOYNA-N,C70H90N12O8S2,Not Found,1291.69,5.836605933,8,12,35,8,HIV-1 frameshift stimulatory sequence ,"Production of the Gag-Pol polyprotein in human immunodeficiency virus (HIV) requires a -1 ribosomal frameshift, which is directed by a highly conserved RNA stem-loop. Disulfide Derivative 0 recognizes & binds with that conserved RNA stem-loop. Modification of the stem-loop affects frameshifting efficiency translates to a decrease in viral replication.",20672840,,,,,,"Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27. doi: 10.1021/jm100231t. PMID: 20672840; PMCID: PMC2928052.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20672840/,,,,,,Not Found,No,No,,,,
DBoRL1183,Disulfide Derivative 1,N-{1-[2-({1-[(3-aminopropyl)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidin-1-yl]-3-({3-[2-({1-[(3-aminopropyl)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidin-1-yl]-2-[(2-ethylquinolin-4-yl)formamido]-3-oxopropyl}disulfanyl)-1-oxopropan-2-yl}-2-ethylquinoline-3-carboxamide,CCc1cc(C(=O)NC(CSSCC(NC(=O)c2cc3ccccc3nc2CC)C(=O)N2CCCC2C(=O)NC(Cc2ccccc2)C(=O)NCCCN)C(=O)N2CCCC2C(=O)NC(Cc2ccccc2)C(=O)NCCCN)c2ccccc2n1,"InChI=1/C64H78N12O8S2/c1-3-44-38-46(45-24-12-14-26-50(45)69-44)57(77)73-53(63(83)75-33-15-27-55(75)61(81)71-51(59(79)67-31-17-29-65)35-41-19-7-5-8-20-41)39-85-86-40-54(74-58(78)47-37-43-23-11-13-25-49(43)70-48(47)4-2)64(84)76-34-16-28-56(76)62(82)72-52(60(80)68-32-18-30-66)36-42-21-9-6-10-22-42/h5-14,19-26,37-38,51-56H,3-4,15-18,27-36,39-40,65-66H2,1-2H3,(H,67,79)(H,68,80)(H,71,81)(H,72,82)(H,73,77)(H,74,78)",GCYXMQZRKUIFSR-UHFFFAOYNA-N,C64H78N12O8S2,Not Found,1207.52,3.023605931,8,12,29,8,HIV-1 frameshift stimulatory sequence ,"Production of the Gag-Pol polyprotein in human immunodeficiency virus (HIV) requires a -1 ribosomal frameshift, which is directed by a highly conserved RNA stem-loop. Disulfide Derivative 1 recognizes & binds with that conserved RNA stem-loop. Modification of the stem-loop affects frameshifting efficiency translates to a decrease in viral replication.",20672840,,,,,,"Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27. doi: 10.1021/jm100231t. PMID: 20672840; PMCID: PMC2928052.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20672840/,,,,,,Not Found,No,No,,,,
DBoRL1184,Disulfide Derivative 2,N-{1-[2-({1-[(3-aminopropyl)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidin-1-yl]-3-({3-[2-({1-[(3-aminopropyl)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidin-1-yl]-2-[(2-methylquinolin-4-yl)formamido]-3-oxopropyl}disulfanyl)-1-oxopropan-2-yl}-2-methylquinoline-3-carboxamide,Cc1cc(C(=O)NC(CSSCC(NC(=O)c2cc3ccccc3nc2C)C(=O)N2CCCC2C(=O)NC(Cc2ccccc2)C(=O)NCCCN)C(=O)N2CCCC2C(=O)NC(Cc2ccccc2)C(=O)NCCCN)c2ccccc2n1,"InChI=1/C62H74N12O8S2/c1-39-33-46(44-22-10-12-24-48(44)67-39)56(76)72-52(62(82)74-32-14-26-54(74)60(80)70-50(58(78)66-30-16-28-64)35-42-19-7-4-8-20-42)38-84-83-37-51(71-55(75)45-36-43-21-9-11-23-47(43)68-40(45)2)61(81)73-31-13-25-53(73)59(79)69-49(57(77)65-29-15-27-63)34-41-17-5-3-6-18-41/h3-12,17-24,33,36,49-54H,13-16,25-32,34-35,37-38,63-64H2,1-2H3,(H,65,77)(H,66,78)(H,69,79)(H,70,80)(H,71,75)(H,72,76)",LHMRKSAASSPRQU-UHFFFAOYNA-N,C62H74N12O8S2,Not Found,1179.47,1.622534237,8,12,27,8,HIV-1 frameshift stimulatory sequence ,"Production of the Gag-Pol polyprotein in human immunodeficiency virus (HIV) requires a -1 ribosomal frameshift, which is directed by a highly conserved RNA stem-loop. Disulfide Derivative 2 recognizes & binds with that conserved RNA stem-loop. Modification of the stem-loop affects frameshifting efficiency translates to a decrease in viral replication.",20672840,,,,,,"Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27. doi: 10.1021/jm100231t. PMID: 20672840; PMCID: PMC2928052.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20672840/,,,,,,Not Found,No,No,,,,
DBoRL1185,Disulfide Derivative 3,N-{1-[2-({1-[(3-aminopropyl)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidin-1-yl]-3-({3-[2-({1-[(3-aminopropyl)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidin-1-yl]-3-oxo-2-[(quinolin-4-yl)formamido]propyl}disulfanyl)-1-oxopropan-2-yl}quinoline-3-carboxamide,NCCCNC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)C(CSSCC(NC(=O)c1ccnc2ccccc12)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)NCCCN)NC(=O)c1cnc2ccccc2c1,"InChI=1/C60H70N12O8S2/c61-26-13-28-64-55(75)47(33-39-15-3-1-4-16-39)67-57(77)51-23-11-31-71(51)59(79)49(69-53(73)42-35-41-19-7-9-21-45(41)66-36-42)37-81-82-38-50(70-54(74)44-25-30-63-46-22-10-8-20-43(44)46)60(80)72-32-12-24-52(72)58(78)68-48(56(76)65-29-14-27-62)34-40-17-5-2-6-18-40/h1-10,15-22,25,30,35-36,47-52H,11-14,23-24,26-29,31-34,37-38,61-62H2,(H,64,75)(H,65,76)(H,67,77)(H,68,78)(H,69,73)(H,70,74)",SGGXXIXKYUKMRO-UHFFFAOYNA-N,C60H70N12O8S2,Not Found,1151.42,1.359793899,8,12,27,8,HIV-1 frameshift stimulatory sequence ,"Production of the Gag-Pol polyprotein in human immunodeficiency virus (HIV) requires a -1 ribosomal frameshift, which is directed by a highly conserved RNA stem-loop. Disulfide Derivative 3 recognizes & binds with that conserved RNA stem-loop. Modification of the stem-loop affects frameshifting efficiency translates to a decrease in viral replication.",20672840,,,,,,"Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27. doi: 10.1021/jm100231t. PMID: 20672840; PMCID: PMC2928052.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20672840/,,,,,,Not Found,No,No,,,,
DBoRL1186,Disulfide Derivative 4,N-{1-[2-({1-[(3-aminopropyl)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidin-1-yl]-3-({3-[2-({1-[(3-aminopropyl)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidin-1-yl]-2-[(2-methylpyridin-4-yl)formamido]-3-oxopropyl}disulfanyl)-1-oxopropan-2-yl}-2-methylpyridine-3-carboxamide,Cc1cc(C(=O)NC(CSSCC(NC(=O)c2cccnc2C)C(=O)N2CCCC2C(=O)NC(Cc2ccccc2)C(=O)NCCCN)C(=O)N2CCCC2C(=O)NC(Cc2ccccc2)C(=O)NCCCN)ccn1,"InChI=1/C54H70N12O8S2/c1-35-30-39(21-27-57-35)47(67)63-43(53(73)65-28-10-19-45(65)51(71)61-41(49(69)59-25-12-22-55)31-37-14-5-3-6-15-37)33-75-76-34-44(64-48(68)40-18-9-24-58-36(40)2)54(74)66-29-11-20-46(66)52(72)62-42(50(70)60-26-13-23-56)32-38-16-7-4-8-17-38/h3-9,14-18,21,24,27,30,41-46H,10-13,19-20,22-23,25-26,28-29,31-34,55-56H2,1-2H3,(H,59,69)(H,60,70)(H,61,71)(H,62,72)(H,63,67)(H,64,68)",AJRYFDMCMWBEHF-UHFFFAOYNA-N,C54H70N12O8S2,Not Found,1079.35,-1.128119928,8,12,27,6,HIV-1 frameshift stimulatory sequence ,"Production of the Gag-Pol polyprotein in human immunodeficiency virus (HIV) requires a -1 ribosomal frameshift, which is directed by a highly conserved RNA stem-loop. Disulfide Derivative 4 recognizes & binds with that conserved RNA stem-loop. Modification of the stem-loop affects frameshifting efficiency translates to a decrease in viral replication.",20672840,,,,,,"Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27. doi: 10.1021/jm100231t. PMID: 20672840; PMCID: PMC2928052.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20672840/,,,,,,Not Found,No,No,,,,
DBoRL1187,Disulfide Derivative 5,2-({1-[2-amino-3-({2-amino-3-[2-({1-[(3-aminopropyl)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidin-1-yl]-3-oxopropyl}disulfanyl)propanoyl]pyrrolidin-2-yl}formamido)-N-(3-aminopropyl)-3-phenylpropanamide,NCCCNC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)C(N)CSSCC(N)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)NCCCN,"InChI=1/C40H60N10O6S2/c41-17-9-19-45-35(51)31(23-27-11-3-1-4-12-27)47-37(53)33-15-7-21-49(33)39(55)29(43)25-57-58-26-30(44)40(56)50-22-8-16-34(50)38(54)48-32(36(52)46-20-10-18-42)24-28-13-5-2-6-14-28/h1-6,11-14,29-34H,7-10,15-26,41-44H2,(H,45,51)(H,46,52)(H,47,53)(H,48,54)",DUFURIMOIZIDDQ-UHFFFAOYNA-N,C40H60N10O6S2,Not Found,841.1,-2.301557495,8,10,23,4,HIV-1 frameshift stimulatory sequence ,"Production of the Gag-Pol polyprotein in human immunodeficiency virus (HIV) requires a -1 ribosomal frameshift, which is directed by a highly conserved RNA stem-loop. Disulfide Derivative 5 recognizes & binds with that conserved RNA stem-loop. Modification of the stem-loop affects frameshifting efficiency translates to a decrease in viral replication.",20672840,,,,,,"Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27. doi: 10.1021/jm100231t. PMID: 20672840; PMCID: PMC2928052.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20672840/,,,,,,Not Found,No,No,,,,
DBoRL1188,Disulfide Derivative 6,"N-{1-[2-({1-[(3-aminopropyl)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidin-1-yl]-3-({3-[2-({1-[(3-aminopropyl)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidin-1-yl]-2-({6-ethyl-2H-[1,3]dioxolo[4,5-g]quinolin-7-yl}formamido)-3-oxopropyl}disulfanyl)-1-oxopropan-2-yl}-6-ethyl-2H-[1,3]dioxolo[4,5-g]quinoline-8-carboxamide",CCc1cc(C(=O)NC(CSSCC(NC(=O)c2cc3cc4c(cc3nc2CC)OCO4)C(=O)N2CCCC2C(=O)NC(Cc2ccccc2)C(=O)NCCCN)C(=O)N2CCCC2C(=O)NC(Cc2ccccc2)C(=O)NCCCN)c2cc3c(cc2n1)OCO3,"InChI=1/C66H78N12O12S2/c1-3-42-31-44(43-32-56-58(90-38-88-56)34-48(43)71-42)59(79)75-51(65(85)77-25-11-19-53(77)63(83)73-49(61(81)69-23-13-21-67)27-39-15-7-5-8-16-39)35-91-92-36-52(76-60(80)45-29-41-30-55-57(89-37-87-55)33-47(41)72-46(45)4-2)66(86)78-26-12-20-54(78)64(84)74-50(62(82)70-24-14-22-68)28-40-17-9-6-10-18-40/h5-10,15-18,29-34,49-54H,3-4,11-14,19-28,35-38,67-68H2,1-2H3,(H,69,81)(H,70,82)(H,73,83)(H,74,84)(H,75,79)(H,76,80)",JOATVGHPGWRRNO-UHFFFAOYNA-N,C66H78N12O12S2,Not Found,1295.54,2.270072866,8,16,29,10,HIV-1 frameshift stimulatory sequence ,"Production of the Gag-Pol polyprotein in human immunodeficiency virus (HIV) requires a -1 ribosomal frameshift, which is directed by a highly conserved RNA stem-loop. Disulfide Derivative 6 recognizes & binds with that conserved RNA stem-loop. Modification of the stem-loop affects frameshifting efficiency translates to a decrease in viral replication.",20672840,,,,,,"Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27. doi: 10.1021/jm100231t. PMID: 20672840; PMCID: PMC2928052.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20672840/,,,,,,Not Found,No,No,,,,
DBoRL1189,Disulfide Derivative 7,"N-{1-[2-({1-[(3-aminopropyl)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidin-1-yl]-3-({3-[2-({1-[(3-aminopropyl)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidin-1-yl]-2-({2-ethyl-5,10-dioxo-5H,5aH,9aH,10H-cyclohexa[g]quinolin-4-yl}formamido)-3-oxopropyl}disulfanyl)-1-oxopropan-2-yl}-2-ethyl-5,10-dioxo-5H,5aH,9aH,10H-cyclohexa[g]quinoline-3-carboxamide",CCc1cc(C(=O)NC(CSSCC(NC(=O)c2cc3c(nc2CC)C(=O)C2C=CC=CC2C3=O)C(=O)N2CCCC2C(=O)NC(Cc2ccccc2)C(=O)NCCCN)C(=O)N2CCCC2C(=O)NC(Cc2ccccc2)C(=O)NCCCN)c2c(n1)C(=O)C1C=CC=CC1C2=O,"InChI=1/C72H82N12O12S2/c1-3-43-37-49(58-60(77-43)64(88)47-26-14-12-24-45(47)62(58)86)66(90)82-55(72(96)84-34-16-28-57(84)70(94)80-53(68(92)76-32-18-30-74)36-42-21-9-6-10-22-42)40-98-97-39-54(81-65(89)48-38-50-59(78-51(48)4-2)63(87)46-25-13-11-23-44(46)61(50)85)71(95)83-33-15-27-56(83)69(93)79-52(67(91)75-31-17-29-73)35-41-19-7-5-8-20-41/h5-14,19-26,37-38,44-47,52-57H,3-4,15-18,27-36,39-40,73-74H2,1-2H3,(H,75,91)(H,76,92)(H,79,93)(H,80,94)(H,81,89)(H,82,90)",LPAFCKRTTFVYDP-UHFFFAOYNA-N,C72H82N12O12S2,Not Found,1371.64,0.946740756,8,16,29,10,HIV-1 frameshift stimulatory sequence ,"Production of the Gag-Pol polyprotein in human immunodeficiency virus (HIV) requires a -1 ribosomal frameshift, which is directed by a highly conserved RNA stem-loop. Disulfide Derivative 7 recognizes & binds with that conserved RNA stem-loop. Modification of the stem-loop affects frameshifting efficiency translates to a decrease in viral replication.",20672840,,,,,,"Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27. doi: 10.1021/jm100231t. PMID: 20672840; PMCID: PMC2928052.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20672840/,,,,,,Not Found,No,No,,,,
DBoRL1190,Ethylquinoline carboxamide derivative,N-{1-[2-({1-[(3-aminopropyl)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidin-1-yl]-3-({3-[2-({1-[(3-aminopropyl)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidin-1-yl]-2-[(2-ethylquinolin-3-yl)formamido]-3-oxopropyl}disulfanyl)-1-oxopropan-2-yl}-2-ethylquinoline-3-carboxamide,CCc1nc2ccccc2cc1C(=O)NC(CSSCC(NC(=O)c1cc2ccccc2nc1CC)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)NCCCN)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)NCCCN,"InChI=1/C64H78N12O8S2/c1-3-47-45(37-43-23-11-13-25-49(43)69-47)57(77)73-53(63(83)75-33-15-27-55(75)61(81)71-51(59(79)67-31-17-29-65)35-41-19-7-5-8-20-41)39-85-86-40-54(74-58(78)46-38-44-24-12-14-26-50(44)70-48(46)4-2)64(84)76-34-16-28-56(76)62(82)72-52(60(80)68-32-18-30-66)36-42-21-9-6-10-22-42/h5-14,19-26,37-38,51-56H,3-4,15-18,27-36,39-40,65-66H2,1-2H3,(H,67,79)(H,68,80)(H,71,81)(H,72,82)(H,73,77)(H,74,78)",WYWYJHHXTNPIOT-UHFFFAOYNA-N,C64H78N12O8S2,Not Found,1207.52,3.023605931,8,12,29,8,HIV-1FRAMESHIFT STEM LOOP STRUCTURE,"Production of the Gag-Pol polyprotein in human immunodeficiency virus (HIV) requires a -1 ribosomal frameshift, which is directed by a highly conserved RNA stem-loop. Ethylquinoline carboxamide derivative recognizes & binds with that conserved RNA stem-loop. Modification of the stem-loop affects frameshifting efficiency translates to a decrease in viral replication.",20672840,,,,,,"Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27. doi: 10.1021/jm100231t. PMID: 20672840; PMCID: PMC2928052.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20672840/,,,,,,Not Found,No,No,,,,
DBoRL1191,Carba derivative,N-{1-[2-({1-[(3-aminopropyl)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidin-1-yl]-1-oxopent-4-en-2-yl}-2-ethylquinoline-4-carboxamide,C=CCC(NC(=O)c1cc(CC)nc2ccccc12)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)NCCCN,"InChI=1/C34H42N6O4/c1-3-12-28(38-31(41)26-22-24(4-2)37-27-16-9-8-15-25(26)27)34(44)40-20-10-17-30(40)33(43)39-29(32(42)36-19-11-18-35)21-23-13-6-5-7-14-23/h3,5-9,13-16,22,28-30H,1,4,10-12,17-21,35H2,2H3,(H,36,42)(H,38,41)(H,39,43)",VHQDIMCSUDIVEK-UHFFFAOYNA-N,C34H42N6O4,Not Found,598.748,2.282636805,4,6,14,4,HIV-1 genomic SL3 rna,"Stem loop 3 (SL3) RNA essential for genome packaging of HIV-1. Carba derivative specifically binds to stem loop 3 (SL3) RNA, results the HIV-1 genome packaging inhibited.  ",20672840,,,,,,"Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27. doi: 10.1021/jm100231t. PMID: 20672840; PMCID: PMC2928052.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20672840/,,,,,,Not Found,No,No,,,,
DBoRL1192,Dicarba analog 1,"N-{1,8-bis[2-({1-[(3-aminopropyl)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidin-1-yl]-7-[(2-ethylquinolin-4-yl)formamido]-1,8-dioxooct-4-en-2-yl}-2-ethylquinoline-3-carboxamide",CCc1cc(C(=O)NC(CC=CCC(NC(=O)c2cc3ccccc3nc2CC)C(=O)N2CCCC2C(=O)NC(Cc2ccccc2)C(=O)NCCCN)C(=O)N2CCCC2C(=O)NC(Cc2ccccc2)C(=O)NCCCN)c2ccccc2n1,"InChI=1/C66H80N12O8/c1-3-46-42-48(47-26-12-14-28-52(47)71-46)59(79)73-53(65(85)77-37-17-31-57(77)63(83)75-55(61(81)69-35-19-33-67)39-43-21-7-5-8-22-43)29-15-16-30-54(74-60(80)49-41-45-25-11-13-27-51(45)72-50(49)4-2)66(86)78-38-18-32-58(78)64(84)76-56(62(82)70-36-20-34-68)40-44-23-9-6-10-24-44/h5-16,21-28,41-42,53-58H,3-4,17-20,29-40,67-68H2,1-2H3,(H,69,81)(H,70,82)(H,73,79)(H,74,80)(H,75,83)(H,76,84)",GMGMMQBNZGDRCT-UHFFFAOYNA-N,C66H80N12O8,Not Found,1169.44,3.458464693,8,12,28,8,HIV-1 genomic SL3 rna,"Stem loop 3 (SL3) RNA essential for genome packaging of HIV-1. Dicarba analog 1 specifically binds to stem loop 3 (SL3) RNA, results the HIV-1 genome packaging inhibited.  ",20672840,,,,,,"Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27. doi: 10.1021/jm100231t. PMID: 20672840; PMCID: PMC2928052.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20672840/,,,,,,Not Found,No,No,,,,
DBoRL1193,Dicarba analog 2,"N-{1,8-bis[2-({1-[(3-aminopropyl)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidin-1-yl]-7-[(2-ethylquinolin-4-yl)formamido]-1,8-dioxooctan-2-yl}-2-ethylquinoline-3-carboxamide",CCc1cc(C(=O)NC(CCCCC(NC(=O)c2cc3ccccc3nc2CC)C(=O)N2CCCC2C(=O)NC(Cc2ccccc2)C(=O)NCCCN)C(=O)N2CCCC2C(=O)NC(Cc2ccccc2)C(=O)NCCCN)c2ccccc2n1,"InChI=1/C66H82N12O8/c1-3-46-42-48(47-26-12-14-28-52(47)71-46)59(79)73-53(65(85)77-37-17-31-57(77)63(83)75-55(61(81)69-35-19-33-67)39-43-21-7-5-8-22-43)29-15-16-30-54(74-60(80)49-41-45-25-11-13-27-51(45)72-50(49)4-2)66(86)78-38-18-32-58(78)64(84)76-56(62(82)70-36-20-34-68)40-44-23-9-6-10-24-44/h5-14,21-28,41-42,53-58H,3-4,15-20,29-40,67-68H2,1-2H3,(H,69,81)(H,70,82)(H,73,79)(H,74,80)(H,75,83)(H,76,84)",WHNRPDWHIDRNKQ-UHFFFAOYNA-N,C66H82N12O8,Not Found,1171.46,3.820386349,8,12,29,8,HIV-1 genomic SL3 rna,"Stem loop 3 (SL3) RNA essential for genome packaging of HIV-1. Dicarba analog 2 specifically binds to stem loop 3 (SL3) RNA, results the HIV-1 genome packaging inhibited.  ",20672840,,,,,,"Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27. doi: 10.1021/jm100231t. PMID: 20672840; PMCID: PMC2928052.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20672840/,,,,,,Not Found,No,No,,,,
DBoRL1194,Quinoline derivative,2-ethylquinoline-3-carboxylic acid,CCc1nc2ccccc2cc1C(=O)O,"InChI=1S/C12H11NO2/c1-2-10-9(12(14)15)7-8-5-3-4-6-11(8)13-10/h3-7H,2H2,1H3,(H,14,15)",VTRUZSBNPFFWIO-UHFFFAOYSA-N,C12H11NO2,888069-31-6,201.225,0.681317018,1,3,2,2,HIV-1 genomic SL3 rna,"Stem loop 3 (SL3) RNA essential for genome packaging of HIV-1. Quinoline derivative specifically binds to stem loop 3 (SL3) RNA, results the HIV-1 genome packaging inhibited.  ",20672840,,,,,,"Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27. doi: 10.1021/jm100231t. PMID: 20672840; PMCID: PMC2928052.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20672840/,,,,,,17933414,No,No,,,,
DBoRL1195,Ruthenium derivative ,"1-[dichloro(phenylmethylidene)(tricyclohexyl-??-phosphanyl)ruthenio]-2,5-bis(2,4,6-trimethylphenyl)-3,4-dihydropyrrol-2-yl",CC1=CC(C)=C(c2CCc(C3=C(C)C=C(C)C=C3C)n2[Ru](Cl)(Cl)(=CC2=CC=CC=C2)P(C2CCCCC2)(C2CCCCC2)C2CCCCC2)C(C)=C1,Unable to Compute,Unable to Compute,C47H66Cl2NPRu,Not Found,848,15.349,0,0,8,7,HIV-1 genomic SL3 rna,"Stem loop 3 (SL3) RNA essential for genome packaging of HIV-1. Ruthenium derivative specifically binds to stem loop 3 (SL3) RNA, results the HIV-1 genome packaging inhibited.",20672840,,,,,,"Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27. doi: 10.1021/jm100231t. PMID: 20672840; PMCID: PMC2928052.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20672840/,,,,,,Not Found,No,No,,,,
DBoRL1196,Compound 1,N-[(2R)-1-[(2R)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-{[(2R)-3-[(2S)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-2-[(2-ethylquinolin-3-yl)formamido]-3-oxopropyl]disulfanyl}-1-oxopropan-2-yl]-2-ethylquinoline-3-carboxamide,CCC1=NC2=C(C=CC=C2)C=C1C(=O)N[C@@H](CSSC[C@H](NC(=O)C1=CC2=C(C=CC=C2)N=C1CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCN,"InChI=1S/C64H78N12O8S2/c1-3-47-45(37-43-23-11-13-25-49(43)69-47)57(77)73-53(63(83)75-33-15-27-55(75)61(81)71-51(59(79)67-31-17-29-65)35-41-19-7-5-8-20-41)39-85-86-40-54(74-58(78)46-38-44-24-12-14-26-50(44)70-48(46)4-2)64(84)76-34-16-28-56(76)62(82)72-52(60(80)68-32-18-30-66)36-42-21-9-6-10-22-42/h5-14,19-26,37-38,51-56H,3-4,15-18,27-36,39-40,65-66H2,1-2H3,(H,67,79)(H,68,80)(H,71,81)(H,72,82)(H,73,77)(H,74,78)/t51-,52-,53-,54-,55-,56+/m0/s1",WYWYJHHXTNPIOT-XYYGZGRQSA-N,C64H78N12O8S2,Not Found,1207.52,3.023605931,8,12,29,8,stem-loop: 5'-[GGCCUUCCCGCAAGGGAAGGCC]-3',"This synthetic ligand recognises specific stem-loop sequence of RNA structures of HIV-1. By recognise the specific stem-loop sequence, the ligand binds with that specific stem-loop sequence and inhibit the protein translation, as a result the virus become unable to replicate.",20672840,,,,,,"Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27. doi: 10.1021/jm100231t. PMID: 20672840; PMCID: PMC2928052.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20672840/,,,,,,Not Found,No,No,,,,
DBoRL1197,Compound 1,N-[(2R)-1-[(2R)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-{[(2R)-3-[(2S)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-2-[(2-ethylquinolin-3-yl)formamido]-3-oxopropyl]disulfanyl}-1-oxopropan-2-yl]-2-ethylquinoline-3-carboxamide,CCC1=NC2=C(C=CC=C2)C=C1C(=O)N[C@@H](CSSC[C@H](NC(=O)C1=CC2=C(C=CC=C2)N=C1CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCN,"InChI=1S/C64H78N12O8S2/c1-3-47-45(37-43-23-11-13-25-49(43)69-47)57(77)73-53(63(83)75-33-15-27-55(75)61(81)71-51(59(79)67-31-17-29-65)35-41-19-7-5-8-20-41)39-85-86-40-54(74-58(78)46-38-44-24-12-14-26-50(44)70-48(46)4-2)64(84)76-34-16-28-56(76)62(82)72-52(60(80)68-32-18-30-66)36-42-21-9-6-10-22-42/h5-14,19-26,37-38,51-56H,3-4,15-18,27-36,39-40,65-66H2,1-2H3,(H,67,79)(H,68,80)(H,71,81)(H,72,82)(H,73,77)(H,74,78)/t51-,52-,53-,54-,55-,56+/m0/s1",WYWYJHHXTNPIOT-XYYGZGRQSA-N,C64H78N12O8S2,Not Found,1207.52,3.023605931,8,12,29,8,stem-loop: 5'-[GGCCUUCCUACAAGGGAAGGCC]-3',"This synthetic ligand recognises specific stem-loop sequence of RNA structures of HIV-1. By recognise the specific stem-loop sequence, the ligand binds with that specific stem-loop sequence and inhibit the protein translation, as a result the virus become unable to replicate.",20672840,,,,,,"Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27. doi: 10.1021/jm100231t. PMID: 20672840; PMCID: PMC2928052.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20672840/,,,,,,Not Found,No,No,,,,
DBoRL1198,Compound 1,N-[(2R)-1-[(2R)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-{[(2R)-3-[(2S)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-2-[(2-ethylquinolin-3-yl)formamido]-3-oxopropyl]disulfanyl}-1-oxopropan-2-yl]-2-ethylquinoline-3-carboxamide,CCC1=NC2=C(C=CC=C2)C=C1C(=O)N[C@@H](CSSC[C@H](NC(=O)C1=CC2=C(C=CC=C2)N=C1CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCN,"InChI=1S/C64H78N12O8S2/c1-3-47-45(37-43-23-11-13-25-49(43)69-47)57(77)73-53(63(83)75-33-15-27-55(75)61(81)71-51(59(79)67-31-17-29-65)35-41-19-7-5-8-20-41)39-85-86-40-54(74-58(78)46-38-44-24-12-14-26-50(44)70-48(46)4-2)64(84)76-34-16-28-56(76)62(82)72-52(60(80)68-32-18-30-66)36-42-21-9-6-10-22-42/h5-14,19-26,37-38,51-56H,3-4,15-18,27-36,39-40,65-66H2,1-2H3,(H,67,79)(H,68,80)(H,71,81)(H,72,82)(H,73,77)(H,74,78)/t51-,52-,53-,54-,55-,56+/m0/s1",WYWYJHHXTNPIOT-XYYGZGRQSA-N,C64H78N12O8S2,Not Found,1207.52,3.023605931,8,12,29,8,stem-loop: 5'-[CCGGAAGGGACAACCCUUCCGG]-3',"This synthetic ligand recognises specific stem-loop sequence of RNA structures of HIV-1. By recognise the specific stem-loop sequence, the ligand binds with that specific stem-loop sequence and inhibit the protein translation, as a result the virus become unable to replicate.",20672840,,,,,,"Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27. doi: 10.1021/jm100231t. PMID: 20672840; PMCID: PMC2928052.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20672840/,,,,,,Not Found,No,No,,,,
DBoRL1199,Compound 1,N-[(2R)-1-[(2R)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-{[(2R)-3-[(2S)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-2-[(2-ethylquinolin-3-yl)formamido]-3-oxopropyl]disulfanyl}-1-oxopropan-2-yl]-2-ethylquinoline-3-carboxamide,CCC1=NC2=C(C=CC=C2)C=C1C(=O)N[C@@H](CSSC[C@H](NC(=O)C1=CC2=C(C=CC=C2)N=C1CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCN,"InChI=1S/C64H78N12O8S2/c1-3-47-45(37-43-23-11-13-25-49(43)69-47)57(77)73-53(63(83)75-33-15-27-55(75)61(81)71-51(59(79)67-31-17-29-65)35-41-19-7-5-8-20-41)39-85-86-40-54(74-58(78)46-38-44-24-12-14-26-50(44)70-48(46)4-2)64(84)76-34-16-28-56(76)62(82)72-52(60(80)68-32-18-30-66)36-42-21-9-6-10-22-42/h5-14,19-26,37-38,51-56H,3-4,15-18,27-36,39-40,65-66H2,1-2H3,(H,67,79)(H,68,80)(H,71,81)(H,72,82)(H,73,77)(H,74,78)/t51-,52-,53-,54-,55-,56+/m0/s1",WYWYJHHXTNPIOT-XYYGZGRQSA-N,C64H78N12O8S2,Not Found,1207.52,3.023605931,8,12,29,8,stem-loop: 5'-[GGCCUUCCCGCAAGGGAAGGCC]-3',"This synthetic ligand recognises specific stem-loop sequence of RNA structures of HIV-1. By recognise the specific stem-loop sequence, the ligand binds with that specific stem-loop sequence and inhibit the protein translation, as a result the virus become unable to replicate.",20672840,,,,,,"Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27. doi: 10.1021/jm100231t. PMID: 20672840; PMCID: PMC2928052.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20672840/,,,,,,Not Found,No,No,,,,
DBoRL1200,Compound 1,N-[(2R)-1-[(2R)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-{[(2R)-3-[(2S)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-2-[(2-ethylquinolin-3-yl)formamido]-3-oxopropyl]disulfanyl}-1-oxopropan-2-yl]-2-ethylquinoline-3-carboxamide,CCC1=NC2=C(C=CC=C2)C=C1C(=O)N[C@@H](CSSC[C@H](NC(=O)C1=CC2=C(C=CC=C2)N=C1CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCN,"InChI=1S/C64H78N12O8S2/c1-3-47-45(37-43-23-11-13-25-49(43)69-47)57(77)73-53(63(83)75-33-15-27-55(75)61(81)71-51(59(79)67-31-17-29-65)35-41-19-7-5-8-20-41)39-85-86-40-54(74-58(78)46-38-44-24-12-14-26-50(44)70-48(46)4-2)64(84)76-34-16-28-56(76)62(82)72-52(60(80)68-32-18-30-66)36-42-21-9-6-10-22-42/h5-14,19-26,37-38,51-56H,3-4,15-18,27-36,39-40,65-66H2,1-2H3,(H,67,79)(H,68,80)(H,71,81)(H,72,82)(H,73,77)(H,74,78)/t51-,52-,53-,54-,55-,56+/m0/s1",WYWYJHHXTNPIOT-XYYGZGRQSA-N,C64H78N12O8S2,Not Found,1207.52,3.023605931,8,12,29,8,stem-loop: 5'-[GGCCUUCCCCACCGGGAAGGCC]-3',"This synthetic ligand recognises specific stem-loop sequence of RNA structures of HIV-1. By recognise the specific stem-loop sequence, the ligand binds with that specific stem-loop sequence and inhibit the protein translation, as a result the virus become unable to replicate.",20672840,,,,,,"Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27. doi: 10.1021/jm100231t. PMID: 20672840; PMCID: PMC2928052.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20672840/,,,,,,Not Found,No,No,,,,
DBoRL1201,Compound 1,N-[(2R)-1-[(2R)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-{[(2R)-3-[(2S)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-2-[(2-ethylquinolin-3-yl)formamido]-3-oxopropyl]disulfanyl}-1-oxopropan-2-yl]-2-ethylquinoline-3-carboxamide,CCC1=NC2=C(C=CC=C2)C=C1C(=O)N[C@@H](CSSC[C@H](NC(=O)C1=CC2=C(C=CC=C2)N=C1CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCN,"InChI=1S/C64H78N12O8S2/c1-3-47-45(37-43-23-11-13-25-49(43)69-47)57(77)73-53(63(83)75-33-15-27-55(75)61(81)71-51(59(79)67-31-17-29-65)35-41-19-7-5-8-20-41)39-85-86-40-54(74-58(78)46-38-44-24-12-14-26-50(44)70-48(46)4-2)64(84)76-34-16-28-56(76)62(82)72-52(60(80)68-32-18-30-66)36-42-21-9-6-10-22-42/h5-14,19-26,37-38,51-56H,3-4,15-18,27-36,39-40,65-66H2,1-2H3,(H,67,79)(H,68,80)(H,71,81)(H,72,82)(H,73,77)(H,74,78)/t51-,52-,53-,54-,55-,56+/m0/s1",WYWYJHHXTNPIOT-XYYGZGRQSA-N,C64H78N12O8S2,Not Found,1207.52,3.023605931,8,12,29,8,stem-loop: 5'-[ CCGCUGCUGCUGCUGCUGCUGCUGCUGCUGCUGCGG]-3',"This synthetic ligand recognises specific stem-loop sequence of RNA structures of HIV-1. By recognise the specific stem-loop sequence, the ligand binds with that specific stem-loop sequence and inhibit the protein translation, as a result the virus become unable to replicate.",20672840,,,,,,"Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27. doi: 10.1021/jm100231t. PMID: 20672840; PMCID: PMC2928052.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20672840/,,,,,,Not Found,No,No,,,,
DBoRL1202,Compound 1,N-[(2R)-1-[(2R)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-{[(2R)-3-[(2S)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-2-[(2-ethylquinolin-3-yl)formamido]-3-oxopropyl]disulfanyl}-1-oxopropan-2-yl]-2-ethylquinoline-3-carboxamide,CCC1=NC2=C(C=CC=C2)C=C1C(=O)N[C@@H](CSSC[C@H](NC(=O)C1=CC2=C(C=CC=C2)N=C1CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCN,"InChI=1S/C64H78N12O8S2/c1-3-47-45(37-43-23-11-13-25-49(43)69-47)57(77)73-53(63(83)75-33-15-27-55(75)61(81)71-51(59(79)67-31-17-29-65)35-41-19-7-5-8-20-41)39-85-86-40-54(74-58(78)46-38-44-24-12-14-26-50(44)70-48(46)4-2)64(84)76-34-16-28-56(76)62(82)72-52(60(80)68-32-18-30-66)36-42-21-9-6-10-22-42/h5-14,19-26,37-38,51-56H,3-4,15-18,27-36,39-40,65-66H2,1-2H3,(H,67,79)(H,68,80)(H,71,81)(H,72,82)(H,73,77)(H,74,78)/t51-,52-,53-,54-,55-,56+/m0/s1",WYWYJHHXTNPIOT-XYYGZGRQSA-N,C64H78N12O8S2,Not Found,1207.52,3.023605931,8,12,29,8,HIV-1 frameshift-inducing RNA stem-loop,"This synthetic ligand recognises stem-loop of RNA structures of HIV-1 frameshift stimulatory sequence. By recognise the stem-loop the ligand binds with the stem loop and inhibit the protein translation, as a result the virus become unable to replicate.",20672840,,,,,,"Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27. doi: 10.1021/jm100231t. PMID: 20672840; PMCID: PMC2928052.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20672840/,,,,,,Not Found,No,No,,,,
DBoRL1203,Compound 2,N-[(2R)-1-[(2R)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-{[(2R)-3-[(2S)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-2-[(2-methylquinolin-3-yl)formamido]-3-oxopropyl]disulfanyl}-1-oxopropan-2-yl]-2-methylquinoline-3-carboxamide,CC1=C(C=C2C=CC=CC2=N1)C(=O)N[C@@H](CSSC[C@H](NC(=O)C1=C(C)N=C2C=CC=CC2=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCN,"InChI=1S/C62H74N12O8S2/c1-39-45(35-43-21-9-11-23-47(43)67-39)55(75)71-51(61(81)73-31-13-25-53(73)59(79)69-49(57(77)65-29-15-27-63)33-41-17-5-3-6-18-41)37-83-84-38-52(72-56(76)46-36-44-22-10-12-24-48(44)68-40(46)2)62(82)74-32-14-26-54(74)60(80)70-50(58(78)66-30-16-28-64)34-42-19-7-4-8-20-42/h3-12,17-24,35-36,49-54H,13-16,25-34,37-38,63-64H2,1-2H3,(H,65,77)(H,66,78)(H,69,79)(H,70,80)(H,71,75)(H,72,76)/t49-,50-,51-,52-,53-,54+/m0/s1",YJBHYESKQYBIAG-VHSRROIVSA-N,C62H74N12O8S2,Not Found,1179.47,1.622534237,8,12,27,8,HIV-1 frameshift-inducing RNA stem-loop,"This synthetic ligand recognises stem-loop of RNA structures of HIV-1 frameshift stimulatory sequence. By recognise the stem-loop the ligand binds with the stem loop and inhibit the protein translation, as a result the virus become unable to replicate.",20672840,,,,,,"Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27. doi: 10.1021/jm100231t. PMID: 20672840; PMCID: PMC2928052.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20672840/,,,,,,Not Found,No,No,,,,
DBoRL1204,Compound 3,N-[(2R)-1-[(2S)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-{[(2R)-3-[(2R)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-oxo-2-[(quinolin-3-yl)formamido]propyl]disulfanyl}-1-oxopropan-2-yl]quinoline-3-carboxamide,NCCCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H]1CCCN1C(=O)[C@H](CSSC[C@H](NC(=O)C1=CN=C2C=CC=CC2=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCN)NC(=O)C1=CN=C2C=CC=CC2=C1,"InChI=1S/C60H70N12O8S2/c61-25-13-27-63-55(75)47(31-39-15-3-1-4-16-39)67-57(77)51-23-11-29-71(51)59(79)49(69-53(73)43-33-41-19-7-9-21-45(41)65-35-43)37-81-82-38-50(70-54(74)44-34-42-20-8-10-22-46(42)66-36-44)60(80)72-30-12-24-52(72)58(78)68-48(56(76)64-28-14-26-62)32-40-17-5-2-6-18-40/h1-10,15-22,33-36,47-52H,11-14,23-32,37-38,61-62H2,(H,63,75)(H,64,76)(H,67,77)(H,68,78)(H,69,73)(H,70,74)/t47-,48-,49-,50-,51-,52+/m0/s1",SAXNFYVUCCZUSV-CYORBRHASA-N,C60H70N12O8S2,Not Found,1151.42,1.359793899,8,12,27,8,HIV-1 frameshift-inducing RNA stem-loop,"This synthetic ligand recognises stem-loop of RNA structures of HIV-1 frameshift stimulatory sequence. By recognise the stem-loop the ligand binds with the stem loop and inhibit the protein translation, as a result the virus become unable to replicate.",20672840,,,,,,"Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27. doi: 10.1021/jm100231t. PMID: 20672840; PMCID: PMC2928052.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20672840/,,,,,,Not Found,No,No,,,,
DBoRL1205,Compound 4,N-[(2R)-1-[(2R)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-{[(2R)-3-[(2S)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-2-[(2-methylpyridin-3-yl)formamido]-3-oxopropyl]disulfanyl}-1-oxopropan-2-yl]-2-methylpyridine-3-carboxamide,CC1=C(C=CC=N1)C(=O)N[C@@H](CSSC[C@H](NC(=O)C1=C(C)N=CC=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCN,"InChI=1S/C54H70N12O8S2/c1-35-39(19-9-25-57-35)47(67)63-43(53(73)65-29-11-21-45(65)51(71)61-41(49(69)59-27-13-23-55)31-37-15-5-3-6-16-37)33-75-76-34-44(64-48(68)40-20-10-26-58-36(40)2)54(74)66-30-12-22-46(66)52(72)62-42(50(70)60-28-14-24-56)32-38-17-7-4-8-18-38/h3-10,15-20,25-26,41-46H,11-14,21-24,27-34,55-56H2,1-2H3,(H,59,69)(H,60,70)(H,61,71)(H,62,72)(H,63,67)(H,64,68)/t41-,42-,43-,44-,45-,46+/m0/s1",KGDXOIIOODYWDS-KFKBEBLLSA-N,C54H70N12O8S2,Not Found,1079.35,-1.128119928,8,12,27,6,HIV-1 frameshift-inducing RNA stem-loop,"This synthetic ligand recognises stem-loop of RNA structures of HIV-1 frameshift stimulatory sequence. By recognise the stem-loop the ligand binds with the stem loop and inhibit the protein translation, as a result the virus become unable to replicate.",20672840,,,,,,"Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27. doi: 10.1021/jm100231t. PMID: 20672840; PMCID: PMC2928052.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20672840/,,,,,,Not Found,No,No,,,,
DBoRL1206,Compound 5,(2S)-2-{[(2R)-1-[(2R)-2-amino-3-{[(2R)-2-amino-3-[(2S)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-oxopropyl]disulfanyl}propanoyl]pyrrolidin-2-yl]formamido}-N-(3-aminopropyl)-3-phenylpropanamide,NCCCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)CSSC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCN,"InChI=1S/C40H60N10O6S2/c41-17-9-19-45-35(51)31(23-27-11-3-1-4-12-27)47-37(53)33-15-7-21-49(33)39(55)29(43)25-57-58-26-30(44)40(56)50-22-8-16-34(50)38(54)48-32(36(52)46-20-10-18-42)24-28-13-5-2-6-14-28/h1-6,11-14,29-34H,7-10,15-26,41-44H2,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t29-,30-,31-,32-,33-,34+/m0/s1",DUFURIMOIZIDDQ-SKYWUHBASA-N,C40H60N10O6S2,Not Found,841.1,-2.301557495,8,10,23,4,HIV-1 frameshift-inducing RNA stem-loop,"This synthetic ligand recognises stem-loop of RNA structures of HIV-1 frameshift stimulatory sequence. By recognise the stem-loop the ligand binds with the stem loop and inhibit the protein translation, as a result the virus become unable to replicate.",20672840,,,,,,"Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27. doi: 10.1021/jm100231t. PMID: 20672840; PMCID: PMC2928052.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20672840/,,,,,,Not Found,No,No,,,,
DBoRL1207,Compound 6,"N-{1-[2-({1-[(3-aminopropyl)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidin-1-yl]-3-({3-[2-({1-[(3-aminopropyl)carbamoyl]-2-phenylethyl}carbamoyl)pyrrolidin-1-yl]-2-({6-ethyl-2H-[1,3]dioxolo[4,5-g]quinolin-7-yl}formamido)-3-oxopropyl}disulfanyl)-1-oxopropan-2-yl}-6-ethyl-2H-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide",CCC1=C(C=C2C=C3OCOC3=CC2=N1)C(=O)NC(CSSCC(NC(=O)C1=C(CC)N=C2C=C3OCOC3=CC2=C1)C(=O)N1CCCC1C(=O)NC(CC1=CC=CC=C1)C(=O)NCCCN)C(=O)N1CCCC1C(=O)NC(CC1=CC=CC=C1)C(=O)NCCCN,"InChI=1/C66H78N12O12S2/c1-3-45-43(29-41-31-55-57(89-37-87-55)33-47(41)71-45)59(79)75-51(65(85)77-25-11-19-53(77)63(83)73-49(61(81)69-23-13-21-67)27-39-15-7-5-8-16-39)35-91-92-36-52(76-60(80)44-30-42-32-56-58(90-38-88-56)34-48(42)72-46(44)4-2)66(86)78-26-12-20-54(78)64(84)74-50(62(82)70-24-14-22-68)28-40-17-9-6-10-18-40/h5-10,15-18,29-34,49-54H,3-4,11-14,19-28,35-38,67-68H2,1-2H3,(H,69,81)(H,70,82)(H,73,83)(H,74,84)(H,75,79)(H,76,80)",UDAVRMUMQCJOPK-UHFFFAOYNA-N,C66H78N12O12S2,Not Found,1295.54,2.270072866,8,16,29,10,HIV-1 frameshift-inducing RNA stem-loop,"This synthetic ligand recognises stem-loop of RNA structures of HIV-1 frameshift stimulatory sequence. By recognise the stem-loop the ligand binds with the stem loop and inhibit the protein translation, as a result the virus become unable to replicate.",20672840,,,,,,"Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27. doi: 10.1021/jm100231t. PMID: 20672840; PMCID: PMC2928052.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20672840/,,,,,,Not Found,No,No,,,,
DBoRL1208,Compound 8,(2S)-N-(3-aminopropyl)-2-{[(2S)-1-[(2S)-2-{[(2-ethylquinolin-3-yl)methyl]amino}pent-4-enoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamide,CCC1=NC2=C(C=CC=C2)C=C1CN[C@@H](CC=C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCN,"InChI=1S/C34H44N6O3/c1-3-12-29(37-23-26-22-25-15-8-9-16-28(25)38-27(26)4-2)34(43)40-20-10-17-31(40)33(42)39-30(32(41)36-19-11-18-35)21-24-13-6-5-7-14-24/h3,5-9,13-16,22,29-31,37H,1,4,10-12,17-21,23,35H2,2H3,(H,36,41)(H,39,42)/t29-,30-,31-/m0/s1",BAAJSHKTLACOOQ-CHQNGUEUSA-N,C34H44N6O3,Not Found,584.765,2.766669274,4,6,15,4,HIV-1 frameshift-inducing RNA stem-loop,"This synthetic ligand recognises stem-loop of RNA structures of HIV-1 frameshift stimulatory sequence. By recognise the stem-loop the ligand binds with the stem loop and inhibit the protein translation, as a result the virus become unable to replicate.",20672840,,,,,,"Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27. doi: 10.1021/jm100231t. PMID: 20672840; PMCID: PMC2928052.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20672840/,,,,,,Not Found,No,No,,,,
DBoRL1209,Compound 11,"N-[(2S,7S)-1-[(2R)-2-{[(1R)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-8-[(2S)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-7-[(2-ethylquinolin-3-yl)formamido]-1,8-dioxooctan-2-yl]-2-ethylquinoline-3-carboxamide",CCC1=C(C=C2C=CC=CC2=N1)C(=O)N[C@@H](CCCC[C@H](NC(=O)C1=C(CC)N=C2C=CC=CC2=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1=CC=CC=C1)C(=O)NCCCN,"InChI=1S/C66H82N12O8/c1-3-49-47(41-45-25-11-13-27-51(45)71-49)59(79)73-53(65(85)77-37-17-31-57(77)63(83)75-55(61(81)69-35-19-33-67)39-43-21-7-5-8-22-43)29-15-16-30-54(74-60(80)48-42-46-26-12-14-28-52(46)72-50(48)4-2)66(86)78-38-18-32-58(78)64(84)76-56(62(82)70-36-20-34-68)40-44-23-9-6-10-24-44/h5-14,21-28,41-42,53-58H,3-4,15-20,29-40,67-68H2,1-2H3,(H,69,81)(H,70,82)(H,73,79)(H,74,80)(H,75,83)(H,76,84)/t53-,54-,55-,56+,57-,58+/m0/s1",MSQQORDVCUQWDZ-DTIPPRRPSA-N,C66H82N12O8,Not Found,1171.46,3.820386349,8,12,29,8,HIV-1 frameshift-inducing RNA stem-loop,"This synthetic ligand recognises stem-loop of RNA structures of HIV-1 frameshift stimulatory sequence. By recognise the stem-loop the ligand binds with the stem loop and inhibit the protein translation, as a result the virus become unable to replicate.",20672840,,,,,,"Palde PB, Ofori LO, Gareiss PC, Lerea J, Miller BL. Strategies for recognition of stem-loop RNA structures by synthetic ligands: application to the HIV-1 frameshift stimulatory sequence. J Med Chem. 2010 Aug 26;53(16):6018-27. doi: 10.1021/jm100231t. PMID: 20672840; PMCID: PMC2928052.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20672840/,,,,,,Not Found,No,No,,,,
DBoRL1210,Glutamine,2-amino-4-carbamoylbutanoic acid,NC(=O)CCC(N)C(=O)O,"InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)",ZDXPYRJPNDTMRX-UHFFFAOYNA-N,C5H10N2O3,Not Found,146.146,-4.001133405,3,4,4,0,RNA Aptamer,"In cyanobacteria, RNA aptamers selectively bind with glutamine and regulate the genes involved in nitrogen metabolism.",21282981,,,,,,"Ames TD, Breaker RR. Bacterial aptamers that selectively bind glutamine. RNA Biol. 2011 Jan-Feb;8(1):82-9. doi: 10.4161/rna.8.1.13864. Epub 2011 Jan 1. PMID: 21282981; PMCID: PMC3127080.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21282981/,,,,,,738,Yes,Yes,Investigational Nutraceutical,DB00130,https://go.drugbank.com/drugs/DB00130,
DBoRL1211,"R14 N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole- 1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide]","3,6-bis(4-{3-[3-(diethylazaniumyl)propanamido]phenyl}-1H-1,2,3-triazol-1-yl)acridin-10-ium",[H][N+]1=C2C=C(C=CC2=CC2=CC=C(C=C12)N1C=C(N=N1)C1=CC(NC(=O)CC[N+]([H])(CC)CC)=CC=C1)N1C=C(N=N1)C1=CC=CC(NC(=O)CC[N+]([H])(CC)CC)=C1,"InChI=1S/C43H47N11O2/c1-5-51(6-2)21-19-42(55)44-34-13-9-11-30(24-34)40-28-53(49-47-40)36-17-15-32-23-33-16-18-37(27-39(33)46-38(32)26-36)54-29-41(48-50-54)31-12-10-14-35(25-31)45-43(56)20-22-52(7-3)8-4/h9-18,23-29H,5-8,19-22H2,1-4H3,(H,44,55)(H,45,56)/p+3",HZKPUBMHIBOFRM-UHFFFAOYSA-Q,C43H50N11O2,Not Found,752.946,7.141939262,5,6,16,7,5'-[r(UAGGGUUAGGGU)]-3',"R14 N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole- 1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide] specifically binds with Human telomeric RNA sequence: 5'-[r(UAGGGUUAGGGU)]-3', & may modulates the regulatory function(s) of this sequence.",21291211,,,,,,"Collie GW, Sparapani S, Parkinson GN, Neidle S. Structural basis of telomeric RNA quadruplex--acridine ligand recognition. J Am Chem Soc. 2011 Mar 2;133(8):2721-8. doi: 10.1021/ja109767y. Epub 2011 Feb 3. PMID: 21291211.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21291211/,,,,,,Not Found,No,No,,,,
DBoRL1212,"R14 N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole- 1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide]","3-(diethylamino)-N-(3-{1-[6-(4-{3-[3-(diethylamino)propanamido]phenyl}-1H-1,2,3-triazol-1-yl)acridin-3-yl]-1H-1,2,3-triazol-4-yl}phenyl)propanamide",CCN(CC)CCC(=O)Nc1cccc(-c2cn(-c3ccc4cc5ccc(-n6cc(-c7cccc(NC(=O)CCN(CC)CC)c7)nn6)cc5nc4c3)nn2)c1,"InChI=1S/C43H47N11O2/c1-5-51(6-2)21-19-42(55)44-34-13-9-11-30(24-34)40-28-53(49-47-40)36-17-15-32-23-33-16-18-37(27-39(33)46-38(32)26-36)54-29-41(48-50-54)31-12-10-14-35(25-31)45-43(56)20-22-52(7-3)8-4/h9-18,23-29H,5-8,19-22H2,1-4H3,(H,44,55)(H,45,56)",HZKPUBMHIBOFRM-UHFFFAOYSA-N,C43H47N11O2,Not Found,749.924,7.141939262,2,9,16,7,Human telomeric RNA sequence: 5'-[r(UAGGGUUAGGGU)]-3',"R14 N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole- 1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide] specifically binds with Human telomeric RNA sequence: 5'-[r(UAGGGUUAGGGU)]-3', & may modulates the regulatory function(s) of this sequence.",21291211,,,,,,"Collie GW, Sparapani S, Parkinson GN, Neidle S. Structural basis of telomeric RNA quadruplex--acridine ligand recognition. J Am Chem Soc. 2011 Mar 2;133(8):2721-8. doi: 10.1021/ja109767y. Epub 2011 Feb 3. PMID: 21291211.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21291211/,,,,,,46864281,No,No,,,,
DBoRL1213,Mocimycin (KIRROMYCIN),"N-(7-{3,4-dihydroxy-5-[7-(4-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trien-1-yl]oxolan-2-yl}-6-methoxy-5-methylocta-2,4-dien-1-yl)-2-[2,3,4-trihydroxy-5,5-dimethyl-6-(penta-1,3-dien-1-yl)oxan-2-yl]butanamide",CC=CC=CC1OC(O)(C(CC)C(=O)NCC=CC=C(C)C(OC)C(C)C2OC(C=CC=CC=C(C)C(=O)c3c(O)cc[nH]c3=O)C(O)C2O)C(O)C(O)C1(C)C,"InChI=1/C43H60N2O12/c1-9-11-13-21-31-42(6,7)38(50)39(51)43(54,57-31)28(10-2)40(52)44-23-17-16-19-26(4)36(55-8)27(5)37-35(49)34(48)30(56-37)20-15-12-14-18-25(3)33(47)32-29(46)22-24-45-41(32)53/h9,11-22,24,27-28,30-31,34-39,48-51,54H,10,23H2,1-8H3,(H,44,52)(H2,45,46,53)",HMSYAPGFKGSXAJ-UHFFFAOYNA-N,C43H60N2O12,Not Found,796.955,3.273888498,8,12,17,3,70S ribosome,Mocimycin (kirromycin) binds with 70S ribosome & interfering the translation process.,21378964,,,,,,"Schmeing TM, Voorhees RM, Kelley AC, Ramakrishnan V. How mutations in tRNA distant from the anticodon affect the fidelity of decoding. Nat Struct Mol Biol. 2011 Apr;18(4):432-6. doi: 10.1038/nsmb.2003. Epub 2011 Mar 6. PMID: 21378964; PMCID: PMC3072312.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21378964/,,,,,,135452736,No,No,,,,
DBoRL1214,Protoporphyrin IX,"3-[20-(2-carboxyethyl)-10,15-diethenyl-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1?,?.1?,??.1??,??]tetracosa-1(21),2,4,6(24),7,9,11,13,15,17,19-undecaen-4-yl]propanoic acid",C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C=C,"InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35-36H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",ZCFFYALKHPIRKJ-UJJXFSCMSA-N,C34H34N4O4,Not Found,562.67,6.747137243,4,6,8,5,tRNA/M1 RNA,Mode of action is not known.,21402928,,,,,,"Schrader JM, Chapman SJ, Uhlenbeck OC. Tuning the affinity of aminoacyl-tRNA to elongation factor Tu for optimal decoding. Proc Natl Acad Sci U S A. 2011 Mar 29;108(13):5215-20. doi: 10.1073/pnas.1102128108. Epub 2011 Mar 14. PMID: 21402928; PMCID: PMC3069205.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21402928/,,,,,,4971,Yes,No,Experimental,DB02285,https://go.drugbank.com/drugs/DB02285,
DBoRL1215,6-Methyladenine,N-methyl-7H-purin-6-amine,CNc1ncnc2nc[nH]c12,"InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)",CKOMXBHMKXXTNW-UHFFFAOYSA-N,C6H7N5,443-72-1,149.157,-0.271766149,2,4,1,2,xpt-pbuX C74U Riboswitch,"Riboswitches are cis-acting gene regulatory elements that are mostly found in bacteria. They are located in the 5? untranslated region (UTR) of mRNAs and consist of an aptamer domain that binds to the ligand, and an expression platform that controls the expression of the downstream gene. The RNA can adopt one of the several alternative conformations, the relative stability of which is determined by the binding of the ligand to the aptamer domain. Binding of the 6-methyladenine with xpt-pbuX C74U riboswitch directs folding of downstream elements in the expression platform that influence expression. Thus, regulation of gene expression is controlled by the concentration of 6-methyladenine via the structure of the RNA.",21439477,,,,,,"Daldrop P, Reyes FE, Robinson DA, Hammond CM, Lilley DM, Batey RT, Brenk R. Novel ligands for a purine riboswitch discovered by RNA-ligand docking. Chem Biol. 2011 Mar 25;18(3):324-35. doi: 10.1016/j.chembiol.2010.12.020. PMID: 21439477; PMCID: PMC3119931.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21439477/,,,,,,67955,No,No,,,,
DBoRL1216,c-di-GMP,"8,17-bis(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",Nc1nc2c(ncn2C2OC3COP(=O)(O)OC4C(COP(=O)(O)OC3C2O)OC(n2cnc3c(=O)[nH]c(N)nc32)C4O)c(=O)[nH]1,"InChI=1/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)",PKFDLKSEZWEFGL-UHFFFAOYNA-N,C20H24N10O14P2,Not Found,690.416,-3.993021518,8,16,2,7,c-di-GMP-II riboswitch,"The bis-(3?-5?)-cyclic dimeric guanosine monophosphate (c-di-GMP) signalling pathway regulates biofilm formation, virulence, and other processes in many bacterial species and is critical for their survival. Two classes of c-di-GMP-binding riboswitches have been identified i.e., c-di-GMP-I riboswitch and c-di-GMP-II riboswitch. Both class of c-di-GMP-binding riboswitch bind to the second messenger i.e., c-di-GMP with high affinity and regulate diverse downstream genes, describing the importance of RNA receptors in this pathway.",21518891,,,,,,"Smith KD, Shanahan CA, Moore EL, Simon AC, Strobel SA. Structural basis of differential ligand recognition by two classes of bis-(3'-5')-cyclic dimeric guanosine monophosphate-binding riboswitches. Proc Natl Acad Sci U S A. 2011 May 10;108(19):7757-62. doi: 10.1073/pnas.1018857108. Epub 2011 Apr 25. PMID: 21518891; PMCID: PMC3093532.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21518891/,,,,,,137221491,No,No,,,,
DBoRL1217,Compound 24,"8,10-diamino-2-{[4-(2-hydroxyethyl)-5-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]methyl}-1-oxaspiro[4.5]decane-6,7-diol",NC1CC(N)C2(CCC(Cn3nnc(CCO)c3CO)O2)C(O)C1O,"InChI=1/C15H27N5O5/c16-9-5-12(17)15(14(24)13(9)23)3-1-8(25-15)6-20-11(7-22)10(2-4-21)18-19-20/h8-9,12-14,21-24H,1-7,16-17H2",UDRGWVGCHFAWCC-UHFFFAOYNA-N,C15H27N5O5,Not Found,357.411,-3.720527506,6,9,5,3,bacterial (A-site) in 16S rRNA,"Compound 24, a 5,6-Spiroether, binds on specific RNA subunits (i.e., 16S rRNA A site) of bacteria, results inhibition of protein synthesis.",21557427,,,,,,"Katsoulis IA, Kythreoti G, Papakyriakou A, Koltsida K, Anastasopoulou P, Stathakis CI, Mavridis I, Cottin T, Saridakis E, Vourloumis D. Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site. Chembiochem. 2011 May 16;12(8):1188-92. doi: 10.1002/cbic.201100076. Epub 2011 May 6. PMID: 21557427.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21557427/,,,,,,Not Found,No,No,,,,
DBoRL1218,Compound 25,"8,10-diamino-2-{[4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl]methyl}-1-oxaspiro[4.5]decane-6,7-diol",NC1CC(N)C2(CCC(Cn3cc(CCO)nn3)O2)C(O)C1O,"InChI=1/C14H25N5O4/c15-10-5-11(16)14(13(22)12(10)21)3-1-9(23-14)7-19-6-8(2-4-20)17-18-19/h6,9-13,20-22H,1-5,7,15-16H2",BQNKZCKXLZCRSI-UHFFFAOYNA-N,C14H25N5O4,Not Found,327.385,-2.873178862,5,8,4,3,bacterial (A-site) in 16S rRNA,"Compound 25, a 5,6-Spiroether, binds on specific RNA subunits (i.e., 16S rRNA A site) of bacteria, results inhibition of protein synthesis.",21557427,,,,,,"Katsoulis IA, Kythreoti G, Papakyriakou A, Koltsida K, Anastasopoulou P, Stathakis CI, Mavridis I, Cottin T, Saridakis E, Vourloumis D. Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site. Chembiochem. 2011 May 16;12(8):1188-92. doi: 10.1002/cbic.201100076. Epub 2011 May 6. PMID: 21557427.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21557427/,,,,,,Not Found,No,No,,,,
DBoRL1219,Compound 26,"{[1-({8,10-diamino-6,7-dihydroxy-1-oxaspiro[4.5]decan-2-yl}methyl)-1H-1,2,3-triazol-4-yl]methyl}urea",NC(=O)NCc1cn(CC2CCC3(O2)C(N)CC(N)C(O)C3O)nn1,"InChI=1/C14H25N7O4/c15-9-3-10(16)14(12(23)11(9)22)2-1-8(25-14)6-21-5-7(19-20-21)4-18-13(17)24/h5,8-12,22-23H,1-4,6,15-16H2,(H3,17,18,24)",TVHNHRVBEXFLDY-UHFFFAOYNA-N,C14H25N7O4,Not Found,355.399,-3.731772326,6,8,4,3,bacterial (A-site) in 16S rRNA,"Compound 26, a 5,6-Spiroether, binds on specific RNA subunits (i.e., 16S rRNA A site) of bacteria, results inhibition of protein synthesis.",21557427,,,,,,"Katsoulis IA, Kythreoti G, Papakyriakou A, Koltsida K, Anastasopoulou P, Stathakis CI, Mavridis I, Cottin T, Saridakis E, Vourloumis D. Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site. Chembiochem. 2011 May 16;12(8):1188-92. doi: 10.1002/cbic.201100076. Epub 2011 May 6. PMID: 21557427.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21557427/,,,,,,Not Found,No,No,,,,
DBoRL1220,Compound 27,"8,10-diamino-2-{[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]methyl}-1-oxaspiro[4.5]decane-6,7-diol",NC1CC(N)C2(CCC(Cn3nnc(CO)c3CO)O2)C(O)C1O,"InChI=1/C14H25N5O5/c15-8-3-11(16)14(13(23)12(8)22)2-1-7(24-14)4-19-10(6-21)9(5-20)17-18-19/h7-8,11-13,20-23H,1-6,15-16H2",VPCZVDGMFZJRBC-UHFFFAOYNA-N,C14H25N5O5,Not Found,343.384,-3.957540242,6,9,4,3,bacterial (A-site) in 16S rRNA,"Compound 27, a 5,6-Spiroether, binds on specific RNA subunits (i.e., 16S rRNA A site) of bacteria, results inhibition of protein synthesis.",21557427,,,,,,"Katsoulis IA, Kythreoti G, Papakyriakou A, Koltsida K, Anastasopoulou P, Stathakis CI, Mavridis I, Cottin T, Saridakis E, Vourloumis D. Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site. Chembiochem. 2011 May 16;12(8):1188-92. doi: 10.1002/cbic.201100076. Epub 2011 May 6. PMID: 21557427.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21557427/,,,,,,Not Found,No,No,,,,
DBoRL1221,Compound 28,"(4-{[(butylcarbamoyl)oxy]methyl}-1-({8,10-diamino-6,7-dihydroxy-1-oxaspiro[4.5]decan-2-yl}methyl)-1H-1,2,3-triazol-5-yl)methyl N-butylcarbamate",CCCCNC(=O)OCc1nnn(CC2CCC3(O2)C(N)CC(N)C(O)C3O)c1COC(=O)NCCCC,"InChI=1/C24H43N7O7/c1-3-5-9-27-22(34)36-13-17-18(14-37-23(35)28-10-6-4-2)31(30-29-17)12-15-7-8-24(38-15)19(26)11-16(25)20(32)21(24)33/h15-16,19-21,32-33H,3-14,25-26H2,1-2H3,(H,27,34)(H,28,35)",LPGGIXRXSGBMDB-UHFFFAOYNA-N,C24H43N7O7,Not Found,541.65,-0.647230328,6,9,14,3,bacterial (A-site) in 16S rRNA,"Compound 28, a 5,6-Spiroether, binds on specific RNA subunits (i.e., 16S rRNA A site) of bacteria, results inhibition of protein synthesis.",21557427,,,,,,"Katsoulis IA, Kythreoti G, Papakyriakou A, Koltsida K, Anastasopoulou P, Stathakis CI, Mavridis I, Cottin T, Saridakis E, Vourloumis D. Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site. Chembiochem. 2011 May 16;12(8):1188-92. doi: 10.1002/cbic.201100076. Epub 2011 May 6. PMID: 21557427.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21557427/,,,,,,Not Found,No,No,,,,
DBoRL1222,Compound 29,"8,10-diamino-2-[(4-{[(2-hydroxyethyl)amino]methyl}-1H-1,2,3-triazol-1-yl)methyl]-1-oxaspiro[4.5]decane-6,7-diol",NC1CC(N)C2(CCC(Cn3cc(CNCCO)nn3)O2)C(O)C1O,"InChI=1/C15H28N6O4/c16-11-5-12(17)15(14(24)13(11)23)2-1-10(25-15)8-21-7-9(19-20-21)6-18-3-4-22/h7,10-14,18,22-24H,1-6,8,16-17H2",NQZWUTSNMKJBJK-UHFFFAOYNA-N,C15H28N6O4,Not Found,356.427,-3.474595013,6,9,6,3,bacterial (A-site) in 16S rRNA,"Compound 29, a 5,6-Spiroether, binds on specific RNA subunits (i.e., 16S rRNA A site) of bacteria, results inhibition of protein synthesis.",21557427,,,,,,"Katsoulis IA, Kythreoti G, Papakyriakou A, Koltsida K, Anastasopoulou P, Stathakis CI, Mavridis I, Cottin T, Saridakis E, Vourloumis D. Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site. Chembiochem. 2011 May 16;12(8):1188-92. doi: 10.1002/cbic.201100076. Epub 2011 May 6. PMID: 21557427.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21557427/,,,,,,Not Found,No,No,,,,
DBoRL1223,Compound 30,"8,10-diamino-2-{[4-(2,3-dihydroxypropyl)-1H-1,2,3-triazol-1-yl]methyl}-1-oxaspiro[4.5]decane-6,7-diol",NC1CC(N)C2(CCC(Cn3cc(CC(O)CO)nn3)O2)C(O)C1O,"InChI=1/C15H27N5O5/c16-11-4-12(17)15(14(24)13(11)23)2-1-10(25-15)6-20-5-8(18-19-20)3-9(22)7-21/h5,9-14,21-24H,1-4,6-7,16-17H2",CYGVCYPMBBTCNU-UHFFFAOYNA-N,C15H27N5O5,Not Found,357.411,-3.503513804,6,9,5,3,bacterial (A-site) in 16S rRNA,"Compound 30, a 5,6-Spiroether, binds on specific RNA subunits (i.e., 16S rRNA A site) of bacteria, results inhibition of protein synthesis.",21557427,,,,,,"Katsoulis IA, Kythreoti G, Papakyriakou A, Koltsida K, Anastasopoulou P, Stathakis CI, Mavridis I, Cottin T, Saridakis E, Vourloumis D. Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site. Chembiochem. 2011 May 16;12(8):1188-92. doi: 10.1002/cbic.201100076. Epub 2011 May 6. PMID: 21557427.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21557427/,,,,,,Not Found,No,No,,,,
DBoRL1224,Compound 31,"2-{[1-({8,10-diamino-6,7-dihydroxy-1-oxaspiro[4.5]decan-2-yl}methyl)-1H-1,2,3-triazol-4-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol",NC1CC(N)C2(CCC(Cn3cc(COC4OC(CO)C(O)C(O)C4O)nn3)O2)C(O)C1O,"InChI=1/C19H33N5O9/c20-10-3-12(21)19(17(30)13(10)26)2-1-9(33-19)5-24-4-8(22-23-24)7-31-18-16(29)15(28)14(27)11(6-25)32-18/h4,9-18,25-30H,1-3,5-7,20-21H2",XBPFKPVIZVUPCB-UHFFFAOYNA-N,C19H33N5O9,Not Found,475.499,-4.881027244,8,13,6,4,bacterial (A-site) in 16S rRNA,"Compound 31, a 5,6-Spiroether, binds on specific RNA subunits (i.e., 16S rRNA A site) of bacteria, results inhibition of protein synthesis.",21557427,,,,,,"Katsoulis IA, Kythreoti G, Papakyriakou A, Koltsida K, Anastasopoulou P, Stathakis CI, Mavridis I, Cottin T, Saridakis E, Vourloumis D. Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site. Chembiochem. 2011 May 16;12(8):1188-92. doi: 10.1002/cbic.201100076. Epub 2011 May 6. PMID: 21557427.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21557427/,,,,,,Not Found,No,No,,,,
DBoRL1225,Compound 7,"(2R,5R,6R,7S,8R,10S)-8,10-diamino-2-{[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]methyl}-1-oxaspiro[4.5]decane-6,7-diol",N[C@@H]1C[C@H](N)[C@]2(CC[C@H](CN3C=C(CO)N=N3)O2)[C@H](O)[C@H]1O,"InChI=1S/C13H23N5O4/c14-9-3-10(15)13(12(21)11(9)20)2-1-8(22-13)5-18-4-7(6-19)16-17-18/h4,8-12,19-21H,1-3,5-6,14-15H2/t8-,9-,10+,11+,12-,13-/m1/s1",HQAKQEZWUDJLAB-PQCBQTOFSA-N,C13H23N5O4,Not Found,313.358,-3.110191598,5,8,3,3,bacterial (A-site) in 16S rRNA,"This is a synthesised 5,6-Spiroether compound which have the affinities for the binding with Bacterial A Site in 16S rRNA. Binding with bacterial A site results the disruption of protein synthesis.",21557427,,,,,,"Katsoulis IA, Kythreoti G, Papakyriakou A, Koltsida K, Anastasopoulou P, Stathakis CI, Mavridis I, Cottin T, Saridakis E, Vourloumis D. Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site. Chembiochem. 2011 May 16;12(8):1188-92. doi: 10.1002/cbic.201100076. Epub 2011 May 6. PMID: 21557427.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21557427/,,,,,,Not Found,No,No,,,,
DBoRL1226,Compound 8,"(2R,5R,6R,7S,8R,10S)-8,10-diamino-2-{[4-(2-hydroxyethyl)-5-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]methyl}-1-oxaspiro[4.5]decane-6,7-diol",N[C@@H]1C[C@H](N)[C@]2(CC[C@H](CN3N=NC(CCO)=C3CO)O2)[C@H](O)[C@H]1O,"InChI=1S/C15H27N5O5/c16-9-5-12(17)15(14(24)13(9)23)3-1-8(25-15)6-20-11(7-22)10(2-4-21)18-19-20/h8-9,12-14,21-24H,1-7,16-17H2/t8-,9-,12+,13+,14-,15-/m1/s1",UDRGWVGCHFAWCC-QQQMAORDSA-N,C15H27N5O5,Not Found,357.411,-3.720527506,6,9,5,3,bacterial (A-site) in 16S rRNA,"This is a synthesised 5,6-Spiroether compound which have the affinities for the binding with Bacterial A Site in 16S rRNA. Binding with bacterial A site results the disruption of protein synthesis.",21557427,,,,,,"Katsoulis IA, Kythreoti G, Papakyriakou A, Koltsida K, Anastasopoulou P, Stathakis CI, Mavridis I, Cottin T, Saridakis E, Vourloumis D. Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site. Chembiochem. 2011 May 16;12(8):1188-92. doi: 10.1002/cbic.201100076. Epub 2011 May 6. PMID: 21557427.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21557427/,,,,,,Not Found,No,No,,,,
DBoRL1227,Compound 9,"(5S,6R,7S,8R,10S)-8,10-diamino-2-{[4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl]methyl}-1-oxaspiro[4.5]decane-6,7-diol",N[C@@H]1C[C@H](N)[C@@]2(CCC(CN3C=C(CCO)N=N3)O2)[C@H](O)[C@H]1O,"InChI=1S/C14H25N5O4/c15-10-5-11(16)14(13(22)12(10)21)3-1-9(23-14)7-19-6-8(2-4-20)17-18-19/h6,9-13,20-22H,1-5,7,15-16H2/t9?,10-,11+,12+,13-,14+/m1/s1",BQNKZCKXLZCRSI-VUYBJCLPSA-N,C14H25N5O4,Not Found,327.385,-2.873178862,5,8,4,3,bacterial (A-site) in 16S rRNA,"This is a synthesised 5,6-Spiroether compound which have the affinities for the binding with Bacterial A Site in 16S rRNA. Binding with bacterial A site results the disruption of protein synthesis.",21557427,,,,,,"Katsoulis IA, Kythreoti G, Papakyriakou A, Koltsida K, Anastasopoulou P, Stathakis CI, Mavridis I, Cottin T, Saridakis E, Vourloumis D. Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site. Chembiochem. 2011 May 16;12(8):1188-92. doi: 10.1002/cbic.201100076. Epub 2011 May 6. PMID: 21557427.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21557427/,,,,,,Not Found,No,No,,,,
DBoRL1228,Compound 10,"[(1-{[(2S,5S,6R,7S,8R,10S)-8,10-diamino-6,7-dihydroxy-1-oxaspiro[4.5]decan-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]urea",N[C@@H]1C[C@H](N)[C@@]2(CC[C@@H](CN3C=C(CNC(N)=O)N=N3)O2)[C@H](O)[C@H]1O,"InChI=1S/C14H25N7O4/c15-9-3-10(16)14(12(23)11(9)22)2-1-8(25-14)6-21-5-7(19-20-21)4-18-13(17)24/h5,8-12,22-23H,1-4,6,15-16H2,(H3,17,18,24)/t8-,9+,10-,11-,12+,14-/m0/s1",TVHNHRVBEXFLDY-XTXQDWKCSA-N,C14H25N7O4,Not Found,355.399,-3.731772326,6,8,4,3,bacterial (A-site) in 16S rRNA,"This is a synthesised 5,6-Spiroether compound which have the affinities for the binding with Bacterial A Site in 16S rRNA. Binding with bacterial A site results the disruption of protein synthesis.",21557427,,,,,,"Katsoulis IA, Kythreoti G, Papakyriakou A, Koltsida K, Anastasopoulou P, Stathakis CI, Mavridis I, Cottin T, Saridakis E, Vourloumis D. Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site. Chembiochem. 2011 May 16;12(8):1188-92. doi: 10.1002/cbic.201100076. Epub 2011 May 6. PMID: 21557427.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21557427/,,,,,,Not Found,No,No,,,,
DBoRL1229,Compound 11,"(2S,5S,6R,7S,8R,10S)-8,10-diamino-2-{[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]methyl}-1-oxaspiro[4.5]decane-6,7-diol",N[C@@H]1C[C@H](N)[C@@]2(CC[C@@H](CN3C=C(COC4=CC=CC=C4)N=N3)O2)[C@H](O)[C@H]1O,"InChI=1S/C19H27N5O4/c20-15-8-16(21)19(18(26)17(15)25)7-6-14(28-19)10-24-9-12(22-23-24)11-27-13-4-2-1-3-5-13/h1-5,9,14-18,25-26H,6-8,10-11,20-21H2/t14-,15+,16-,17-,18+,19-/m0/s1",IEYYMJQJIQBSOU-BDPHEOEISA-N,C19H27N5O4,Not Found,389.456,-0.776039979,4,8,5,4,bacterial (A-site) in 16S rRNA,"This is a synthesised 5,6-Spiroether compound which have the affinities for the binding with Bacterial A Site in 16S rRNA. Binding with bacterial A site results the disruption of protein synthesis.",21557427,,,,,,"Katsoulis IA, Kythreoti G, Papakyriakou A, Koltsida K, Anastasopoulou P, Stathakis CI, Mavridis I, Cottin T, Saridakis E, Vourloumis D. Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site. Chembiochem. 2011 May 16;12(8):1188-92. doi: 10.1002/cbic.201100076. Epub 2011 May 6. PMID: 21557427.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21557427/,,,,,,Not Found,No,No,,,,
DBoRL1230,Compound 12,"(2S,5S,6R,7S,8R,10S)-8,10-diamino-2-{[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]methyl}-1-oxaspiro[4.5]decane-6,7-diol",N[C@@H]1C[C@H](N)[C@@]2(CC[C@@H](CN3N=NC(CO)=C3CO)O2)[C@H](O)[C@H]1O,"InChI=1S/C14H25N5O5/c15-8-3-11(16)14(13(23)12(8)22)2-1-7(24-14)4-19-10(6-21)9(5-20)17-18-19/h7-8,11-13,20-23H,1-6,15-16H2/t7-,8+,11-,12-,13+,14-/m0/s1",VPCZVDGMFZJRBC-JAMHXJHLSA-N,C14H25N5O5,Not Found,343.384,-3.957540242,6,9,4,3,bacterial (A-site) in 16S rRNA,"This is a synthesised 5,6-Spiroether compound which have the affinities for the binding with Bacterial A Site in 16S rRNA. Binding with bacterial A site results the disruption of protein synthesis.",21557427,,,,,,"Katsoulis IA, Kythreoti G, Papakyriakou A, Koltsida K, Anastasopoulou P, Stathakis CI, Mavridis I, Cottin T, Saridakis E, Vourloumis D. Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site. Chembiochem. 2011 May 16;12(8):1188-92. doi: 10.1002/cbic.201100076. Epub 2011 May 6. PMID: 21557427.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21557427/,,,,,,Not Found,No,No,,,,
DBoRL1231,Compound 13,"(2S,5S,6R,7S,8R,10S)-8,10-diamino-2-{[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]methyl}-1-oxaspiro[4.5]decane-6,7-diol",N[C@@H]1C[C@H](N)[C@@]2(CC[C@@H](CN3C=C(CO)N=N3)O2)[C@H](O)[C@H]1O,"InChI=1S/C13H23N5O4/c14-9-3-10(15)13(12(21)11(9)20)2-1-8(22-13)5-18-4-7(6-19)16-17-18/h4,8-12,19-21H,1-3,5-6,14-15H2/t8-,9+,10-,11-,12+,13-/m0/s1",HQAKQEZWUDJLAB-JOGIVDDZSA-N,C13H23N5O4,Not Found,313.358,-3.110191598,5,8,3,3,bacterial (A-site) in 16S rRNA,"This is a synthesised 5,6-Spiroether compound which have the affinities for the binding with Bacterial A Site in 16S rRNA. Binding with bacterial A site results the disruption of protein synthesis.",21557427,,,,,,"Katsoulis IA, Kythreoti G, Papakyriakou A, Koltsida K, Anastasopoulou P, Stathakis CI, Mavridis I, Cottin T, Saridakis E, Vourloumis D. Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site. Chembiochem. 2011 May 16;12(8):1188-92. doi: 10.1002/cbic.201100076. Epub 2011 May 6. PMID: 21557427.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21557427/,,,,,,Not Found,No,No,,,,
DBoRL1232,Compound 14,"(4-{[(butylcarbamoyl)oxy]methyl}-1-{[(2S,5S,6R,7S,8R,10S)-8,10-diamino-6,7-dihydroxy-1-oxaspiro[4.5]decan-2-yl]methyl}-1H-1,2,3-triazol-5-yl)methyl N-butylcarbamate",CCCCNC(=O)OCC1=C(COC(=O)NCCCC)N(C[C@@H]2CC[C@]3(O2)[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)N=N1,"InChI=1S/C24H43N7O7/c1-3-5-9-27-22(34)36-13-17-18(14-37-23(35)28-10-6-4-2)31(30-29-17)12-15-7-8-24(38-15)19(26)11-16(25)20(32)21(24)33/h15-16,19-21,32-33H,3-14,25-26H2,1-2H3,(H,27,34)(H,28,35)/t15-,16+,19-,20-,21+,24-/m0/s1",LPGGIXRXSGBMDB-LKTQLWESSA-N,C24H43N7O7,Not Found,541.65,-0.647230328,6,9,14,3,bacterial (A-site) in 16S rRNA,"This is a synthesised 5,6-Spiroether compound which have the affinities for the binding with Bacterial A Site in 16S rRNA. Binding with bacterial A site results the disruption of protein synthesis.",21557427,,,,,,"Katsoulis IA, Kythreoti G, Papakyriakou A, Koltsida K, Anastasopoulou P, Stathakis CI, Mavridis I, Cottin T, Saridakis E, Vourloumis D. Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site. Chembiochem. 2011 May 16;12(8):1188-92. doi: 10.1002/cbic.201100076. Epub 2011 May 6. PMID: 21557427.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21557427/,,,,,,Not Found,No,No,,,,
DBoRL1233,Compound 15,"(2S,5S,6R,7S,8R,10S)-8,10-diamino-2-[(4-{[(2-hydroxyethyl)amino]methyl}-1H-1,2,3-triazol-1-yl)methyl]-1-oxaspiro[4.5]decane-6,7-diol",N[C@@H]1C[C@H](N)[C@@]2(CC[C@@H](CN3C=C(CNCCO)N=N3)O2)[C@H](O)[C@H]1O,"InChI=1S/C15H28N6O4/c16-11-5-12(17)15(14(24)13(11)23)2-1-10(25-15)8-21-7-9(19-20-21)6-18-3-4-22/h7,10-14,18,22-24H,1-6,8,16-17H2/t10-,11+,12-,13-,14+,15-/m0/s1",NQZWUTSNMKJBJK-HGPDSQILSA-N,C15H28N6O4,Not Found,356.427,-3.474595013,6,9,6,3,bacterial (A-site) in 16S rRNA,"This is a synthesised 5,6-Spiroether compound which have the affinities for the binding with Bacterial A Site in 16S rRNA. Binding with bacterial A site results the disruption of protein synthesis.",21557427,,,,,,"Katsoulis IA, Kythreoti G, Papakyriakou A, Koltsida K, Anastasopoulou P, Stathakis CI, Mavridis I, Cottin T, Saridakis E, Vourloumis D. Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site. Chembiochem. 2011 May 16;12(8):1188-92. doi: 10.1002/cbic.201100076. Epub 2011 May 6. PMID: 21557427.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21557427/,,,,,,Not Found,No,No,,,,
DBoRL1234,Compound 16,"4-[(1-{[(2S,5S,6R,7S,8R,10S)-8,10-diamino-6,7-dihydroxy-1-oxaspiro[4.5]decan-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]-1??-thiomorpholine-1,1-dione",N[C@@H]1C[C@H](N)[C@@]2(CC[C@@H](CN3C=C(CN4CCS(=O)(=O)CC4)N=N3)O2)[C@H](O)[C@H]1O,"InChI=1S/C17H30N6O5S/c18-13-7-14(19)17(16(25)15(13)24)2-1-12(28-17)10-23-9-11(20-21-23)8-22-3-5-29(26,27)6-4-22/h9,12-16,24-25H,1-8,10,18-19H2/t12-,13+,14-,15-,16+,17-/m0/s1",XWCJDNPBIWUEJO-DBWAAGBOSA-N,C17H30N6O5S,Not Found,430.52,-3.741088259,4,10,4,4,bacterial (A-site) in 16S rRNA,"This is a synthesised 5,6-Spiroether compound which have the affinities for the binding with Bacterial A Site in 16S rRNA. Binding with bacterial A site results the disruption of protein synthesis.",21557427,,,,,,"Katsoulis IA, Kythreoti G, Papakyriakou A, Koltsida K, Anastasopoulou P, Stathakis CI, Mavridis I, Cottin T, Saridakis E, Vourloumis D. Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site. Chembiochem. 2011 May 16;12(8):1188-92. doi: 10.1002/cbic.201100076. Epub 2011 May 6. PMID: 21557427.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21557427/,,,,,,Not Found,No,No,,,,
DBoRL1235,Compound 17,"(2S,5S,6R,7S,8R,10S)-8,10-diamino-2-({4-[(2R)-2,3-dihydroxypropyl]-1H-1,2,3-triazol-1-yl}methyl)-1-oxaspiro[4.5]decane-6,7-diol",N[C@@H]1C[C@H](N)[C@@]2(CC[C@@H](CN3C=C(C[C@@H](O)CO)N=N3)O2)[C@H](O)[C@H]1O,"InChI=1S/C15H27N5O5/c16-11-4-12(17)15(14(24)13(11)23)2-1-10(25-15)6-20-5-8(18-19-20)3-9(22)7-21/h5,9-14,21-24H,1-4,6-7,16-17H2/t9-,10+,11-,12+,13+,14-,15+/m1/s1",CYGVCYPMBBTCNU-LEXUZLFXSA-N,C15H27N5O5,Not Found,357.411,-3.503513804,6,9,5,3,bacterial (A-site) in 16S rRNA,"This is a synthesised 5,6-Spiroether compound which have the affinities for the binding with Bacterial A Site in 16S rRNA. Binding with bacterial A site results the disruption of protein synthesis.",21557427,,,,,,"Katsoulis IA, Kythreoti G, Papakyriakou A, Koltsida K, Anastasopoulou P, Stathakis CI, Mavridis I, Cottin T, Saridakis E, Vourloumis D. Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site. Chembiochem. 2011 May 16;12(8):1188-92. doi: 10.1002/cbic.201100076. Epub 2011 May 6. PMID: 21557427.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21557427/,,,,,,Not Found,No,No,,,,
DBoRL1236,Compound 18,"(3R,4S,5S,6R)-2-[(1-{[(2S,5S,6R,7S,8R,10S)-8,10-diamino-6,7-dihydroxy-1-oxaspiro[4.5]decan-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol",N[C@@H]1C[C@H](N)[C@@]2(CC[C@@H](CN3C=C(COC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)N=N3)O2)[C@H](O)[C@H]1O,"InChI=1S/C19H33N5O9/c20-10-3-12(21)19(17(30)13(10)26)2-1-9(33-19)5-24-4-8(22-23-24)7-31-18-16(29)15(28)14(27)11(6-25)32-18/h4,9-18,25-30H,1-3,5-7,20-21H2/t9-,10+,11+,12-,13-,14+,15-,16+,17+,18?,19-/m0/s1",XBPFKPVIZVUPCB-RQWNYQPCSA-N,C19H33N5O9,Not Found,475.499,-4.881027244,8,13,6,4,bacterial (A-site) in 16S rRNA,"This is a synthesised 5,6-Spiroether compound which have the affinities for the binding with Bacterial A Site in 16S rRNA. Binding with bacterial A site results the disruption of protein synthesis.",21557427,,,,,,"Katsoulis IA, Kythreoti G, Papakyriakou A, Koltsida K, Anastasopoulou P, Stathakis CI, Mavridis I, Cottin T, Saridakis E, Vourloumis D. Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site. Chembiochem. 2011 May 16;12(8):1188-92. doi: 10.1002/cbic.201100076. Epub 2011 May 6. PMID: 21557427.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21557427/,,,,,,Not Found,No,No,,,,
DBoRL1237,Benzimidazole derivative (8),"1-{3-[4-(3-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC=C2N=C(NC2=C1)C1=CC2=C(C=C1)N=C(N2)C1=CC(OCCCC(=O)NCCCN=[N+]=N)=CC=C1,"InChI=1S/C32H36N10O2/c1-41-14-16-42(17-15-41)24-9-11-27-29(21-24)39-32(37-27)23-8-10-26-28(20-23)38-31(36-26)22-5-2-6-25(19-22)44-18-3-7-30(43)34-12-4-13-35-40-33/h2,5-6,8-11,19-21H,3-4,7,12-18H2,1H3,(H3,33,34,35,43)/p+1",DQRNFRNNAAESMT-UHFFFAOYSA-O,C32H37N10O2,Not Found,593.715,4.003387712,4,8,12,6,RNA loop 8 IL 1,Benzimidazole derivative binds to various Internal Loops of RNA with various specificity & affinity.,21604752,,,,,,"Velagapudi SP, Seedhouse SJ, French J, Disney MD. Defining the RNA internal loops preferred by benzimidazole derivatives via 2D combinatorial screening and computational analysis. J Am Chem Soc. 2011 Jul 6;133(26):10111-8. doi: 10.1021/ja200212b. Epub 2011 Jun 9. PMID: 21604752; PMCID: PMC3126894.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21604752/,,,,,,Not Found,No,No,,,,
DBoRL1238,Benzimidazole derivative (8),"1-{3-[4-(3-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC=C2N=C(NC2=C1)C1=CC2=C(C=C1)N=C(N2)C1=CC(OCCCC(=O)NCCCN=[N+]=N)=CC=C1,"InChI=1S/C32H36N10O2/c1-41-14-16-42(17-15-41)24-9-11-27-29(21-24)39-32(37-27)23-8-10-26-28(20-23)38-31(36-26)22-5-2-6-25(19-22)44-18-3-7-30(43)34-12-4-13-35-40-33/h2,5-6,8-11,19-21H,3-4,7,12-18H2,1H3,(H3,33,34,35,43)/p+1",DQRNFRNNAAESMT-UHFFFAOYSA-O,C32H37N10O2,Not Found,593.715,4.003387712,4,8,12,6,RNA loop 8 IL 2,Benzimidazole derivative binds to various Internal Loops of RNA with various specificity & affinity.,21604752,,,,,,"Velagapudi SP, Seedhouse SJ, French J, Disney MD. Defining the RNA internal loops preferred by benzimidazole derivatives via 2D combinatorial screening and computational analysis. J Am Chem Soc. 2011 Jul 6;133(26):10111-8. doi: 10.1021/ja200212b. Epub 2011 Jun 9. PMID: 21604752; PMCID: PMC3126894.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21604752/,,,,,,Not Found,No,No,,,,
DBoRL1239,Benzimidazole derivative (8),"1-{3-[4-(3-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC=C2N=C(NC2=C1)C1=CC2=C(C=C1)N=C(N2)C1=CC(OCCCC(=O)NCCCN=[N+]=N)=CC=C1,"InChI=1S/C32H36N10O2/c1-41-14-16-42(17-15-41)24-9-11-27-29(21-24)39-32(37-27)23-8-10-26-28(20-23)38-31(36-26)22-5-2-6-25(19-22)44-18-3-7-30(43)34-12-4-13-35-40-33/h2,5-6,8-11,19-21H,3-4,7,12-18H2,1H3,(H3,33,34,35,43)/p+1",DQRNFRNNAAESMT-UHFFFAOYSA-O,C32H37N10O2,Not Found,593.715,4.003387712,4,8,12,6,RNA loop 8 IL 3,Benzimidazole derivative binds to various Internal Loops of RNA with various specificity & affinity.,21604752,,,,,,"Velagapudi SP, Seedhouse SJ, French J, Disney MD. Defining the RNA internal loops preferred by benzimidazole derivatives via 2D combinatorial screening and computational analysis. J Am Chem Soc. 2011 Jul 6;133(26):10111-8. doi: 10.1021/ja200212b. Epub 2011 Jun 9. PMID: 21604752; PMCID: PMC3126894.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21604752/,,,,,,Not Found,No,No,,,,
DBoRL1240,Benzimidazole derivative (8),"1-{3-[4-(3-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC=C2N=C(NC2=C1)C1=CC2=C(C=C1)N=C(N2)C1=CC(OCCCC(=O)NCCCN=[N+]=N)=CC=C1,"InChI=1S/C32H36N10O2/c1-41-14-16-42(17-15-41)24-9-11-27-29(21-24)39-32(37-27)23-8-10-26-28(20-23)38-31(36-26)22-5-2-6-25(19-22)44-18-3-7-30(43)34-12-4-13-35-40-33/h2,5-6,8-11,19-21H,3-4,7,12-18H2,1H3,(H3,33,34,35,43)/p+1",DQRNFRNNAAESMT-UHFFFAOYSA-O,C32H37N10O2,Not Found,593.715,4.003387712,4,8,12,6,RNA loop 8 IL 4,Benzimidazole derivative binds to various Internal Loops of RNA with various specificity & affinity.,21604752,,,,,,"Velagapudi SP, Seedhouse SJ, French J, Disney MD. Defining the RNA internal loops preferred by benzimidazole derivatives via 2D combinatorial screening and computational analysis. J Am Chem Soc. 2011 Jul 6;133(26):10111-8. doi: 10.1021/ja200212b. Epub 2011 Jun 9. PMID: 21604752; PMCID: PMC3126894.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21604752/,,,,,,Not Found,No,No,,,,
DBoRL1241,Benzimidazole derivative (8),"1-{3-[4-(3-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC=C2N=C(NC2=C1)C1=CC2=C(C=C1)N=C(N2)C1=CC(OCCCC(=O)NCCCN=[N+]=N)=CC=C1,"InChI=1S/C32H36N10O2/c1-41-14-16-42(17-15-41)24-9-11-27-29(21-24)39-32(37-27)23-8-10-26-28(20-23)38-31(36-26)22-5-2-6-25(19-22)44-18-3-7-30(43)34-12-4-13-35-40-33/h2,5-6,8-11,19-21H,3-4,7,12-18H2,1H3,(H3,33,34,35,43)/p+1",DQRNFRNNAAESMT-UHFFFAOYSA-O,C32H37N10O2,Not Found,593.715,4.003387712,4,8,12,6,RNA loop 8 IL 5,Benzimidazole derivative binds to various Internal Loops of RNA with various specificity & affinity.,21604752,,,,,,"Velagapudi SP, Seedhouse SJ, French J, Disney MD. Defining the RNA internal loops preferred by benzimidazole derivatives via 2D combinatorial screening and computational analysis. J Am Chem Soc. 2011 Jul 6;133(26):10111-8. doi: 10.1021/ja200212b. Epub 2011 Jun 9. PMID: 21604752; PMCID: PMC3126894.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21604752/,,,,,,Not Found,No,No,,,,
DBoRL1242,Benzimidazole derivative (8),"1-{3-[4-(3-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC=C2N=C(NC2=C1)C1=CC2=C(C=C1)N=C(N2)C1=CC(OCCCC(=O)NCCCN=[N+]=N)=CC=C1,"InChI=1S/C32H36N10O2/c1-41-14-16-42(17-15-41)24-9-11-27-29(21-24)39-32(37-27)23-8-10-26-28(20-23)38-31(36-26)22-5-2-6-25(19-22)44-18-3-7-30(43)34-12-4-13-35-40-33/h2,5-6,8-11,19-21H,3-4,7,12-18H2,1H3,(H3,33,34,35,43)/p+1",DQRNFRNNAAESMT-UHFFFAOYSA-O,C32H37N10O2,Not Found,593.715,4.003387712,4,8,12,6,RNA loop 8 IL 6,Benzimidazole derivative binds to various Internal Loops of RNA with various specificity & affinity.,21604752,,,,,,"Velagapudi SP, Seedhouse SJ, French J, Disney MD. Defining the RNA internal loops preferred by benzimidazole derivatives via 2D combinatorial screening and computational analysis. J Am Chem Soc. 2011 Jul 6;133(26):10111-8. doi: 10.1021/ja200212b. Epub 2011 Jun 9. PMID: 21604752; PMCID: PMC3126894.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21604752/,,,,,,Not Found,No,No,,,,
DBoRL1243,Benzimidazole derivative,"1-{3-[4-(3-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}triaza-1,2-dien-2-ium",CN1CCN(c2ccc3nc(-c4ccc5nc(-c6cccc(OCCCC(=O)NCCCN=[N+]=N)c6)[nH]c5c4)[nH]c3c2)CC1,"InChI=1S/C32H36N10O2/c1-41-14-16-42(17-15-41)24-9-11-27-29(21-24)39-32(37-27)23-8-10-26-28(20-23)38-31(36-26)22-5-2-6-25(19-22)44-18-3-7-30(43)34-12-4-13-35-40-33/h2,5-6,8-11,19-21H,3-4,7,12-18H2,1H3,(H3,33,34,35,43)/p+1",DQRNFRNNAAESMT-UHFFFAOYSA-O,C32H37N10O2,Not Found,593.715,4.003387712,4,8,12,6,RNA loops,"Benzimidazole derivative binds with RNA internal loops and hairpins, which may disrupt the function. Please see the reference for more details.",21604752,,,,,,"Velagapudi SP, Seedhouse SJ, French J, Disney MD. Defining the RNA internal loops preferred by benzimidazole derivatives via 2D combinatorial screening and computational analysis. J Am Chem Soc. 2011 Jul 6;133(26):10111-8. doi: 10.1021/ja200212b. Epub 2011 Jun 9. PMID: 21604752; PMCID: PMC3126894.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21604752/,,,,,,Not Found,No,No,,,,
DBoRL1244,"N-(3-azidopropyl)-4-(2,6-di-tert-butyl-4-(6-(4-methylpiperazin-1-yl)1H,-2,5?-bibenzo[d]imidazol-2?-yl)phenoxy)-butanamide (9)","1-{3-[4-(2,6-di-tert-butyl-4-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC=C2N=C(NC2=C1)C1=CC2=C(C=C1)N=C(N2)C1=CC(=C(OCCCC(=O)NCCCN=[N+]=N)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C40H52N10O2/c1-39(2,3)29-22-27(23-30(40(4,5)6)36(29)52-21-8-10-35(51)42-15-9-16-43-48-41)38-45-31-13-11-26(24-33(31)46-38)37-44-32-14-12-28(25-34(32)47-37)50-19-17-49(7)18-20-50/h11-14,22-25H,8-10,15-21H2,1-7H3,(H3,41,42,43,51)/p+1",TWWMJLBVOGOPRN-UHFFFAOYSA-O,C40H53N10O2,Not Found,705.931,7.093500254,4,8,14,6,RNA loop 9 IL 1,Mode of action is not known.,21604752,,,,,,"Velagapudi SP, Seedhouse SJ, French J, Disney MD. Defining the RNA internal loops preferred by benzimidazole derivatives via 2D combinatorial screening and computational analysis. J Am Chem Soc. 2011 Jul 6;133(26):10111-8. doi: 10.1021/ja200212b. Epub 2011 Jun 9. PMID: 21604752; PMCID: PMC3126894.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21604752/,,,,,,Not Found,No,No,,,,
DBoRL1245,"N-(3-azidopropyl)-4-(2,6-di-tert-butyl-4-(6-(4-methylpiperazin-1-yl)1H,-2,5?-bibenzo[d]imidazol-2?-yl)phenoxy)-butanamide (9)","1-{3-[4-(2,6-di-tert-butyl-4-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC=C2N=C(NC2=C1)C1=CC2=C(C=C1)N=C(N2)C1=CC(=C(OCCCC(=O)NCCCN=[N+]=N)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C40H52N10O2/c1-39(2,3)29-22-27(23-30(40(4,5)6)36(29)52-21-8-10-35(51)42-15-9-16-43-48-41)38-45-31-13-11-26(24-33(31)46-38)37-44-32-14-12-28(25-34(32)47-37)50-19-17-49(7)18-20-50/h11-14,22-25H,8-10,15-21H2,1-7H3,(H3,41,42,43,51)/p+1",TWWMJLBVOGOPRN-UHFFFAOYSA-O,C40H53N10O2,Not Found,705.931,7.093500254,4,8,14,6,RNA loop 9 IL 2,Mode of action is not known.,21604752,,,,,,"Velagapudi SP, Seedhouse SJ, French J, Disney MD. Defining the RNA internal loops preferred by benzimidazole derivatives via 2D combinatorial screening and computational analysis. J Am Chem Soc. 2011 Jul 6;133(26):10111-8. doi: 10.1021/ja200212b. Epub 2011 Jun 9. PMID: 21604752; PMCID: PMC3126894.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21604752/,,,,,,Not Found,No,No,,,,
DBoRL1246,"N-(3-azidopropyl)-4-(2,6-di-tert-butyl-4-(6-(4-methylpiperazin-1-yl)1H,-2,5?-bibenzo[d]imidazol-2?-yl)phenoxy)-butanamide (9)","1-{3-[4-(2,6-di-tert-butyl-4-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC=C2N=C(NC2=C1)C1=CC2=C(C=C1)N=C(N2)C1=CC(=C(OCCCC(=O)NCCCN=[N+]=N)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C40H52N10O2/c1-39(2,3)29-22-27(23-30(40(4,5)6)36(29)52-21-8-10-35(51)42-15-9-16-43-48-41)38-45-31-13-11-26(24-33(31)46-38)37-44-32-14-12-28(25-34(32)47-37)50-19-17-49(7)18-20-50/h11-14,22-25H,8-10,15-21H2,1-7H3,(H3,41,42,43,51)/p+1",TWWMJLBVOGOPRN-UHFFFAOYSA-O,C40H53N10O2,Not Found,705.931,7.093500254,4,8,14,6,RNA loop 9 IL 3,Mode of action is not known.,21604752,,,,,,"Velagapudi SP, Seedhouse SJ, French J, Disney MD. Defining the RNA internal loops preferred by benzimidazole derivatives via 2D combinatorial screening and computational analysis. J Am Chem Soc. 2011 Jul 6;133(26):10111-8. doi: 10.1021/ja200212b. Epub 2011 Jun 9. PMID: 21604752; PMCID: PMC3126894.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21604752/,,,,,,Not Found,No,No,,,,
DBoRL1247,"N-(3-azidopropyl)-4-(2,6-di-tert-butyl-4-(6-(4-methylpiperazin-1-yl)1H,-2,5?-bibenzo[d]imidazol-2?-yl)phenoxy)-butanamide (9)","1-{3-[4-(2,6-di-tert-butyl-4-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC=C2N=C(NC2=C1)C1=CC2=C(C=C1)N=C(N2)C1=CC(=C(OCCCC(=O)NCCCN=[N+]=N)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C40H52N10O2/c1-39(2,3)29-22-27(23-30(40(4,5)6)36(29)52-21-8-10-35(51)42-15-9-16-43-48-41)38-45-31-13-11-26(24-33(31)46-38)37-44-32-14-12-28(25-34(32)47-37)50-19-17-49(7)18-20-50/h11-14,22-25H,8-10,15-21H2,1-7H3,(H3,41,42,43,51)/p+1",TWWMJLBVOGOPRN-UHFFFAOYSA-O,C40H53N10O2,Not Found,705.931,7.093500254,4,8,14,6,RNA loop 9 IL 4,Mode of action is not known.,21604752,,,,,,"Velagapudi SP, Seedhouse SJ, French J, Disney MD. Defining the RNA internal loops preferred by benzimidazole derivatives via 2D combinatorial screening and computational analysis. J Am Chem Soc. 2011 Jul 6;133(26):10111-8. doi: 10.1021/ja200212b. Epub 2011 Jun 9. PMID: 21604752; PMCID: PMC3126894.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21604752/,,,,,,Not Found,No,No,,,,
DBoRL1248,"N-(3-azidopropyl)-4-(2,6-di-tert-butyl-4-(6-(4-methylpiperazin-1-yl)1H,-2,5?-bibenzo[d]imidazol-2?-yl)phenoxy)-butanamide (9)","1-{3-[4-(2,6-di-tert-butyl-4-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC=C2N=C(NC2=C1)C1=CC2=C(C=C1)N=C(N2)C1=CC(=C(OCCCC(=O)NCCCN=[N+]=N)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C40H52N10O2/c1-39(2,3)29-22-27(23-30(40(4,5)6)36(29)52-21-8-10-35(51)42-15-9-16-43-48-41)38-45-31-13-11-26(24-33(31)46-38)37-44-32-14-12-28(25-34(32)47-37)50-19-17-49(7)18-20-50/h11-14,22-25H,8-10,15-21H2,1-7H3,(H3,41,42,43,51)/p+1",TWWMJLBVOGOPRN-UHFFFAOYSA-O,C40H53N10O2,Not Found,705.931,7.093500254,4,8,14,6,RNA loop 9 IL 5,Mode of action is not known.,21604752,,,,,,"Velagapudi SP, Seedhouse SJ, French J, Disney MD. Defining the RNA internal loops preferred by benzimidazole derivatives via 2D combinatorial screening and computational analysis. J Am Chem Soc. 2011 Jul 6;133(26):10111-8. doi: 10.1021/ja200212b. Epub 2011 Jun 9. PMID: 21604752; PMCID: PMC3126894.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21604752/,,,,,,Not Found,No,No,,,,
DBoRL1249,"N-(3-azidopropyl)-4-(2,6-di-tert-butyl-4-(6-(4-methylpiperazin-1-yl)1H,-2,5?-bibenzo[d]imidazol-2?-yl)phenoxy)-butanamide (9)","1-{3-[4-(2,6-di-tert-butyl-4-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC=C2N=C(NC2=C1)C1=CC2=C(C=C1)N=C(N2)C1=CC(=C(OCCCC(=O)NCCCN=[N+]=N)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C40H52N10O2/c1-39(2,3)29-22-27(23-30(40(4,5)6)36(29)52-21-8-10-35(51)42-15-9-16-43-48-41)38-45-31-13-11-26(24-33(31)46-38)37-44-32-14-12-28(25-34(32)47-37)50-19-17-49(7)18-20-50/h11-14,22-25H,8-10,15-21H2,1-7H3,(H3,41,42,43,51)/p+1",TWWMJLBVOGOPRN-UHFFFAOYSA-O,C40H53N10O2,Not Found,705.931,7.093500254,4,8,14,6,RNA loop 9 IL 6,Mode of action is not known.,21604752,,,,,,"Velagapudi SP, Seedhouse SJ, French J, Disney MD. Defining the RNA internal loops preferred by benzimidazole derivatives via 2D combinatorial screening and computational analysis. J Am Chem Soc. 2011 Jul 6;133(26):10111-8. doi: 10.1021/ja200212b. Epub 2011 Jun 9. PMID: 21604752; PMCID: PMC3126894.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21604752/,,,,,,Not Found,No,No,,,,
DBoRL1250,"N-(3-azidopropyl)-4-(2,6-di-tert-butyl-4-(6-(4-methylpiperazin-1-yl)-1 H,-2,5?-bibenzo[d]imidazol-2?-yl)phenoxy)-butanamide (11)","1-[3-(4-{2,6-di-tert-butyl-4-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]phenoxy}butanamido)propyl]triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC=C2N=C(NC2=C1)C1=CC(=C(OCCCC(=O)NCCCN=[N+]=N)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C33H48N8O2/c1-32(2,3)25-20-23(31-37-27-12-11-24(22-28(27)38-31)41-17-15-40(7)16-18-41)21-26(33(4,5)6)30(25)43-19-8-10-29(42)35-13-9-14-36-39-34/h11-12,20-22,34H,8-10,13-19H2,1-7H3,(H-,35,37,38,42)/p+1",JWAVGKHRVIEALE-UHFFFAOYSA-O,C33H49N8O2,Not Found,589.808,5.782471821,3,7,13,4,RNA loop 11 IL 1,Mode of action is not known.,21604752,,,,,,"Velagapudi SP, Seedhouse SJ, French J, Disney MD. Defining the RNA internal loops preferred by benzimidazole derivatives via 2D combinatorial screening and computational analysis. J Am Chem Soc. 2011 Jul 6;133(26):10111-8. doi: 10.1021/ja200212b. Epub 2011 Jun 9. PMID: 21604752; PMCID: PMC3126894.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21604752/,,,,,,Not Found,No,No,,,,
DBoRL1251,"N-(3-azidopropyl)-4-(2,6-di-tert-butyl-4-(6-(4-methylpiperazin-1-yl)-1 H,-2,5?-bibenzo[d]imidazol-2?-yl)phenoxy)-butanamide (11)","1-[3-(4-{2,6-di-tert-butyl-4-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]phenoxy}butanamido)propyl]triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC=C2N=C(NC2=C1)C1=CC(=C(OCCCC(=O)NCCCN=[N+]=N)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C33H48N8O2/c1-32(2,3)25-20-23(31-37-27-12-11-24(22-28(27)38-31)41-17-15-40(7)16-18-41)21-26(33(4,5)6)30(25)43-19-8-10-29(42)35-13-9-14-36-39-34/h11-12,20-22,34H,8-10,13-19H2,1-7H3,(H-,35,37,38,42)/p+1",JWAVGKHRVIEALE-UHFFFAOYSA-O,C33H49N8O2,Not Found,589.808,5.782471821,3,7,13,4,RNA loop 11 IL 2,Mode of action is not known.,21604752,,,,,,"Velagapudi SP, Seedhouse SJ, French J, Disney MD. Defining the RNA internal loops preferred by benzimidazole derivatives via 2D combinatorial screening and computational analysis. J Am Chem Soc. 2011 Jul 6;133(26):10111-8. doi: 10.1021/ja200212b. Epub 2011 Jun 9. PMID: 21604752; PMCID: PMC3126894.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21604752/,,,,,,Not Found,No,No,,,,
DBoRL1252,"N-(3-azidopropyl)-4-(2,6-di-tert-butyl-4-(6-(4-methylpiperazin-1-yl)-1 H,-2,5?-bibenzo[d]imidazol-2?-yl)phenoxy)-butanamide (11)","1-[3-(4-{2,6-di-tert-butyl-4-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]phenoxy}butanamido)propyl]triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC=C2N=C(NC2=C1)C1=CC(=C(OCCCC(=O)NCCCN=[N+]=N)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C33H48N8O2/c1-32(2,3)25-20-23(31-37-27-12-11-24(22-28(27)38-31)41-17-15-40(7)16-18-41)21-26(33(4,5)6)30(25)43-19-8-10-29(42)35-13-9-14-36-39-34/h11-12,20-22,34H,8-10,13-19H2,1-7H3,(H-,35,37,38,42)/p+1",JWAVGKHRVIEALE-UHFFFAOYSA-O,C33H49N8O2,Not Found,589.808,5.782471821,3,7,13,4,RNA loop 11 IL 3,Mode of action is not known.,21604752,,,,,,"Velagapudi SP, Seedhouse SJ, French J, Disney MD. Defining the RNA internal loops preferred by benzimidazole derivatives via 2D combinatorial screening and computational analysis. J Am Chem Soc. 2011 Jul 6;133(26):10111-8. doi: 10.1021/ja200212b. Epub 2011 Jun 9. PMID: 21604752; PMCID: PMC3126894.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21604752/,,,,,,Not Found,No,No,,,,
DBoRL1253,"N-(3-azidopropyl)-4-(2,6-di-tert-butyl-4-(6-(4-methylpiperazin-1-yl)-1 H,-2,5?-bibenzo[d]imidazol-2?-yl)phenoxy)-butanamide (11)","1-[3-(4-{2,6-di-tert-butyl-4-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]phenoxy}butanamido)propyl]triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC=C2N=C(NC2=C1)C1=CC(=C(OCCCC(=O)NCCCN=[N+]=N)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C33H48N8O2/c1-32(2,3)25-20-23(31-37-27-12-11-24(22-28(27)38-31)41-17-15-40(7)16-18-41)21-26(33(4,5)6)30(25)43-19-8-10-29(42)35-13-9-14-36-39-34/h11-12,20-22,34H,8-10,13-19H2,1-7H3,(H-,35,37,38,42)/p+1",JWAVGKHRVIEALE-UHFFFAOYSA-O,C33H49N8O2,Not Found,589.808,5.782471821,3,7,13,4,RNA loop 11 IL 4,Mode of action is not known.,21604752,,,,,,"Velagapudi SP, Seedhouse SJ, French J, Disney MD. Defining the RNA internal loops preferred by benzimidazole derivatives via 2D combinatorial screening and computational analysis. J Am Chem Soc. 2011 Jul 6;133(26):10111-8. doi: 10.1021/ja200212b. Epub 2011 Jun 9. PMID: 21604752; PMCID: PMC3126894.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21604752/,,,,,,Not Found,No,No,,,,
DBoRL1254,"N-(3-azidopropyl)-4-(2,6-di-tert-butyl-4-(6-(4-methylpiperazin-1-yl)-1 H,-2,5?-bibenzo[d]imidazol-2?-yl)phenoxy)-butanamide (11)","1-[3-(4-{2,6-di-tert-butyl-4-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]phenoxy}butanamido)propyl]triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC=C2N=C(NC2=C1)C1=CC(=C(OCCCC(=O)NCCCN=[N+]=N)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C33H48N8O2/c1-32(2,3)25-20-23(31-37-27-12-11-24(22-28(27)38-31)41-17-15-40(7)16-18-41)21-26(33(4,5)6)30(25)43-19-8-10-29(42)35-13-9-14-36-39-34/h11-12,20-22,34H,8-10,13-19H2,1-7H3,(H-,35,37,38,42)/p+1",JWAVGKHRVIEALE-UHFFFAOYSA-O,C33H49N8O2,Not Found,589.808,5.782471821,3,7,13,4,RNA loop 11 IL 5,Mode of action is not known.,21604752,,,,,,"Velagapudi SP, Seedhouse SJ, French J, Disney MD. Defining the RNA internal loops preferred by benzimidazole derivatives via 2D combinatorial screening and computational analysis. J Am Chem Soc. 2011 Jul 6;133(26):10111-8. doi: 10.1021/ja200212b. Epub 2011 Jun 9. PMID: 21604752; PMCID: PMC3126894.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21604752/,,,,,,Not Found,No,No,,,,
DBoRL1255,"N-(3-azidopropyl)-4-(2,6-di-tert-butyl-4-(6-(4-methylpiperazin-1-yl)-1 H,-2,5?-bibenzo[d]imidazol-2?-yl)phenoxy)-butanamide (11)","1-[3-(4-{2,6-di-tert-butyl-4-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]phenoxy}butanamido)propyl]triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC=C2N=C(NC2=C1)C1=CC(=C(OCCCC(=O)NCCCN=[N+]=N)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C33H48N8O2/c1-32(2,3)25-20-23(31-37-27-12-11-24(22-28(27)38-31)41-17-15-40(7)16-18-41)21-26(33(4,5)6)30(25)43-19-8-10-29(42)35-13-9-14-36-39-34/h11-12,20-22,34H,8-10,13-19H2,1-7H3,(H-,35,37,38,42)/p+1",JWAVGKHRVIEALE-UHFFFAOYSA-O,C33H49N8O2,Not Found,589.808,5.782471821,3,7,13,4,RNA loop 11 IL 6,Mode of action is not known.,21604752,,,,,,"Velagapudi SP, Seedhouse SJ, French J, Disney MD. Defining the RNA internal loops preferred by benzimidazole derivatives via 2D combinatorial screening and computational analysis. J Am Chem Soc. 2011 Jul 6;133(26):10111-8. doi: 10.1021/ja200212b. Epub 2011 Jun 9. PMID: 21604752; PMCID: PMC3126894.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21604752/,,,,,,Not Found,No,No,,,,
DBoRL1256,"N-(3-azidopropyl)-4-(2,6-di-tert-butyl-4-(6-(4-methylpiperazin-1-yl)-1 H,-2,5?-bibenzo[d]imidazol-2?-yl)phenoxy)-butanamide (11)","1-[3-(4-{2,6-di-tert-butyl-4-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]phenoxy}butanamido)propyl]triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC=C2N=C(NC2=C1)C1=CC(=C(OCCCC(=O)NCCCN=[N+]=N)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C33H48N8O2/c1-32(2,3)25-20-23(31-37-27-12-11-24(22-28(27)38-31)41-17-15-40(7)16-18-41)21-26(33(4,5)6)30(25)43-19-8-10-29(42)35-13-9-14-36-39-34/h11-12,20-22,34H,8-10,13-19H2,1-7H3,(H-,35,37,38,42)/p+1",JWAVGKHRVIEALE-UHFFFAOYSA-O,C33H49N8O2,Not Found,589.808,5.782471821,3,7,13,4,RNA loop 11 IL 7,Mode of action is not known.,21604752,,,,,,"Velagapudi SP, Seedhouse SJ, French J, Disney MD. Defining the RNA internal loops preferred by benzimidazole derivatives via 2D combinatorial screening and computational analysis. J Am Chem Soc. 2011 Jul 6;133(26):10111-8. doi: 10.1021/ja200212b. Epub 2011 Jun 9. PMID: 21604752; PMCID: PMC3126894.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21604752/,,,,,,Not Found,No,No,,,,
DBoRL1257,"N-(3-azidopropyl)-4-(2,6-di-tert-butyl-4-(6-(4-methylpiperazin-1-yl)-1 H,-2,5?-bibenzo[d]imidazol-2?-yl)phenoxy)-butanamide (11)","1-[3-(4-{2,6-di-tert-butyl-4-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]phenoxy}butanamido)propyl]triaza-1,2-dien-2-ium",CN1CCN(CC1)C1=CC=C2N=C(NC2=C1)C1=CC(=C(OCCCC(=O)NCCCN=[N+]=N)C(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C33H48N8O2/c1-32(2,3)25-20-23(31-37-27-12-11-24(22-28(27)38-31)41-17-15-40(7)16-18-41)21-26(33(4,5)6)30(25)43-19-8-10-29(42)35-13-9-14-36-39-34/h11-12,20-22,34H,8-10,13-19H2,1-7H3,(H-,35,37,38,42)/p+1",JWAVGKHRVIEALE-UHFFFAOYSA-O,C33H49N8O2,Not Found,589.808,5.782471821,3,7,13,4,RNA loop 11 IL 8,Mode of action is not known.,21604752,,,,,,"Velagapudi SP, Seedhouse SJ, French J, Disney MD. Defining the RNA internal loops preferred by benzimidazole derivatives via 2D combinatorial screening and computational analysis. J Am Chem Soc. 2011 Jul 6;133(26):10111-8. doi: 10.1021/ja200212b. Epub 2011 Jun 9. PMID: 21604752; PMCID: PMC3126894.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21604752/,,,,,,Not Found,No,No,,,,
DBoRL1258,"N-(3-azidopropyl)-4-(2,6-di-tert-butyl-4-(6-(4-methylpiperazin-1-yl)1H,-2,5?-bibenzo[d]imidazol-2?-yl)phenoxy)-butanamide","1-{3-[4-(2,6-di-tert-butyl-4-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}triaza-1,2-dien-2-ium",CN1CCN(c2ccc3nc(-c4ccc5nc(-c6cc(C(C)(C)C)c(OCCCC(=O)NCCCN=[N+]=N)c(C(C)(C)C)c6)[nH]c5c4)[nH]c3c2)CC1,"InChI=1S/C40H52N10O2/c1-39(2,3)29-22-27(23-30(40(4,5)6)36(29)52-21-8-10-35(51)42-15-9-16-43-48-41)38-45-31-13-11-26(24-33(31)46-38)37-44-32-14-12-28(25-34(32)47-37)50-19-17-49(7)18-20-50/h11-14,22-25H,8-10,15-21H2,1-7H3,(H3,41,42,43,51)/p+1",TWWMJLBVOGOPRN-UHFFFAOYSA-O,C40H53N10O2,Not Found,705.931,7.093500254,4,8,14,6,RNA loops,"The compound binds with RNA internal loops and hairpins, which may disrupt the function. Please see the reference for more details.",21604752,,,,,,"Velagapudi SP, Seedhouse SJ, French J, Disney MD. Defining the RNA internal loops preferred by benzimidazole derivatives via 2D combinatorial screening and computational analysis. J Am Chem Soc. 2011 Jul 6;133(26):10111-8. doi: 10.1021/ja200212b. Epub 2011 Jun 9. PMID: 21604752; PMCID: PMC3126894.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21604752/,,,,,,Not Found,No,No,,,,
DBoRL1259,"N-(3-azidopropyl)-4-(2,6-di-tert-butyl-4-(6-(4-methylpiperazin-1-yl)-1 H,-2,5?-bibenzo[d]imidazol-2?-yl)phenoxy)-butanamide (2)","1-[3-(4-{2,6-di-tert-butyl-4-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]phenoxy}butanamido)propyl]triaza-1,2-dien-2-ium",CN1CCN(c2ccc3nc(-c4cc(C(C)(C)C)c(OCCCC(=O)NCCCN=[N+]=N)c(C(C)(C)C)c4)[nH]c3c2)CC1,"InChI=1S/C33H48N8O2/c1-32(2,3)25-20-23(31-37-27-12-11-24(22-28(27)38-31)41-17-15-40(7)16-18-41)21-26(33(4,5)6)30(25)43-19-8-10-29(42)35-13-9-14-36-39-34/h11-12,20-22,34H,8-10,13-19H2,1-7H3,(H-,35,37,38,42)/p+1",JWAVGKHRVIEALE-UHFFFAOYSA-O,C33H49N8O2,Not Found,589.808,5.782471821,3,7,13,4,RNA loops,"The compound binds with RNA internal loops and hairpins, which may disrupt the function. Please see the reference for more details.",21604752,,,,,,"Velagapudi SP, Seedhouse SJ, French J, Disney MD. Defining the RNA internal loops preferred by benzimidazole derivatives via 2D combinatorial screening and computational analysis. J Am Chem Soc. 2011 Jul 6;133(26):10111-8. doi: 10.1021/ja200212b. Epub 2011 Jun 9. PMID: 21604752; PMCID: PMC3126894.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21604752/,,,,,,Not Found,No,No,,,,
DBoRL1260,Bis[N-(3 dimethylaminopropyl)amidino]benzene tetrahydrochloride,"N'1,N'2-bis[3-(dimethylamino)propyl]benzene-1,2-dicarboximidamide tetrahydrochloride",CN(C)CCCN=C(N)c1ccccc1C(N)=NCCCN(C)C.Cl.Cl.Cl.Cl,"InChI=1S/C18H32N6.4ClH/c1-23(2)13-7-11-21-17(19)15-9-5-6-10-16(15)18(20)22-12-8-14-24(3)4;;;;/h5-6,9-10H,7-8,11-14H2,1-4H3,(H2,19,21)(H2,20,22);4*1H",OWDRUWSVUOEQEE-UHFFFAOYSA-N,C18H36Cl4N6,Not Found,478.33,0.418743419,2,6,10,1,HIV-1 frameshift site RNA,The compound bind with HIV-1 frameshift site RNA & inhibit viral replication.,21648432,,,,,,"Marcheschi RJ, Tonelli M, Kumar A, Butcher SE. Structure of the HIV-1 frameshift site RNA bound to a small molecule inhibitor of viral replication. ACS Chem Biol. 2011 Aug 19;6(8):857-64. doi: 10.1021/cb200082d. Epub 2011 Jun 15. PMID: 21648432; PMCID: PMC3158809.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21648432/,,,,,,129846052,No,No,,,,
DBoRL1261,360A,1-methyl-3-{6-[(1-methylquinolin-1-ium-3-yl)carbamoyl]pyridine-2-amido}quinolin-1-ium,C[n+]1cc(NC(=O)c2cccc(C(=O)Nc3cc4ccccc4[n+](C)c3)n2)cc2ccccc21,"InChI=1S/C27H21N5O2/c1-31-16-20(14-18-8-3-5-12-24(18)31)28-26(33)22-10-7-11-23(30-22)27(34)29-21-15-19-9-4-6-13-25(19)32(2)17-21/h3-17H,1-2H3/p+2",KPOOEJJPTYXNTN-UHFFFAOYSA-P,C27H23N5O2,794458-56-3,449.513,-4.573282161,2,3,4,5,Reporter gene (hRluc) with 5'-UTR quadruplexes 4G3U (GGGU)3GGG,"360A, a bisquinolinium compound, targets and binds to 5?-UTR quadruplexes 4G3U (GGGU)3GGG of reporter gene (hRluc) and efficient suppress gene expression.",21681881,,,,,,"Halder K, Largy E, Benzler M, Teulade-Fichou MP, Hartig JS. Efficient suppression of gene expression by targeting 5'-UTR-based RNA quadruplexes with bisquinolinium compounds. Chembiochem. 2011 Jul 25;12(11):1663-8. doi: 10.1002/cbic.201100228. Epub 2011 Jun 16. PMID: 21681881.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21681881/,,,,,,11430774,No,No,,,,
DBoRL1262,360A,1-methyl-3-{6-[(1-methylquinolin-1-ium-3-yl)carbamoyl]pyridine-2-amido}quinolin-1-ium,C[N+]1=CC(NC(=O)C2=CC=CC(=N2)C(=O)NC2=C[N+](C)=C3C=CC=CC3=C2)=CC2=C1C=CC=C2,"InChI=1S/C27H21N5O2/c1-31-16-20(14-18-8-3-5-12-24(18)31)28-26(33)22-10-7-11-23(30-22)27(34)29-21-15-19-9-4-6-13-25(19)32(2)17-21/h3-17H,1-2H3/p+2",KPOOEJJPTYXNTN-UHFFFAOYSA-P,C27H23N5O2,794458-56-3,449.513,-4.573282161,2,3,4,5,,"360A, a bisquinolinium compound, targets and binds to 5'-UTR quadruplexes 4G3U (GGGU)3GGG of reporter gene (hRluc) and efficient suppress gene expression.",21681881,,,,,,"Halder K, Largy E, Benzler M, Teulade-Fichou MP, Hartig JS. Efficient suppression of gene expression by targeting 5'-UTR-based RNA quadruplexes with bisquinolinium compounds. Chembiochem. 2011 Jul 25;12(11):1663-8. doi: 10.1002/cbic.201100228. Epub 2011 Jun 16. PMID: 21681881.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21681881/,,,,,,11430774,No,No,,,,
DBoRL1263,360A,1-methyl-3-{6-[(1-methylquinolin-1-ium-3-yl)carbamoyl]pyridine-2-amido}quinolin-1-ium,C[N+]1=CC(NC(=O)C2=CC=CC(=N2)C(=O)NC2=C[N+](C)=C3C=CC=CC3=C2)=CC2=C1C=CC=C2,"InChI=1S/C27H21N5O2/c1-31-16-20(14-18-8-3-5-12-24(18)31)28-26(33)22-10-7-11-23(30-22)27(34)29-21-15-19-9-4-6-13-25(19)32(2)17-21/h3-17H,1-2H3/p+2",KPOOEJJPTYXNTN-UHFFFAOYSA-P,C27H23N5O2,794458-56-3,449.513,-4.573282161,2,3,4,5,,"360A, a bisquinolinium compound, targets and binds with 5'-UTR quadruplexes 4G3U2 (GGGUU)3GGG of reporter gene (hRluc) and efficient suppress gene expression.",21681881,,,,,,"Halder K, Largy E, Benzler M, Teulade-Fichou MP, Hartig JS. Efficient suppression of gene expression by targeting 5'-UTR-based RNA quadruplexes with bisquinolinium compounds. Chembiochem. 2011 Jul 25;12(11):1663-8. doi: 10.1002/cbic.201100228. Epub 2011 Jun 16. PMID: 21681881.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21681881/,,,,,,11430774,No,No,,,,
DBoRL1264,360A,1-methyl-3-{6-[(1-methylquinolin-1-ium-3-yl)carbamoyl]pyridine-2-amido}quinolin-1-ium,C[N+]1=CC(NC(=O)C2=CC=CC(=N2)C(=O)NC2=C[N+](C)=C3C=CC=CC3=C2)=CC2=C1C=CC=C2,"InChI=1S/C27H21N5O2/c1-31-16-20(14-18-8-3-5-12-24(18)31)28-26(33)22-10-7-11-23(30-22)27(34)29-21-15-19-9-4-6-13-25(19)32(2)17-21/h3-17H,1-2H3/p+2",KPOOEJJPTYXNTN-UHFFFAOYSA-P,C27H23N5O2,794458-56-3,449.513,-4.573282161,2,3,4,5,,"360A, a bisquinolinium compound, targets and binds with 5'-UTR quadruplexes 4G3U3 (GGGUUU)3GGG of reporter gene (hRluc) and efficient suppress gene expression.",21681881,,,,,,"Halder K, Largy E, Benzler M, Teulade-Fichou MP, Hartig JS. Efficient suppression of gene expression by targeting 5'-UTR-based RNA quadruplexes with bisquinolinium compounds. Chembiochem. 2011 Jul 25;12(11):1663-8. doi: 10.1002/cbic.201100228. Epub 2011 Jun 16. PMID: 21681881.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21681881/,,,,,,11430774,No,No,,,,
DBoRL1265,Phen-DC 3,"1-methyl-3-{9-[(1-methylquinolin-1-ium-3-yl)carbamoyl]-1,10-phenanthroline-2-amido}quinolin-1-ium",C[n+]1cc(NC(=O)c2ccc3ccc4ccc(C(=O)Nc5cc6ccccc6[n+](C)c5)nc4c3n2)cc2ccccc21,"InChI=1S/C34H24N6O2/c1-39-19-25(17-23-7-3-5-9-29(23)39)35-33(41)27-15-13-21-11-12-22-14-16-28(38-32(22)31(21)37-27)34(42)36-26-18-24-8-4-6-10-30(24)40(2)20-26/h3-20H,1-2H3/p+2",CTOLNXAGCUTHBW-UHFFFAOYSA-P,C34H26N6O2,942936-75-6,550.621,-3.040300424,2,4,4,7,Reporter gene (hRluc) with 5'-UTR quadruplexes 4G3U (GGGU)3GGG,"Phen-DC 3, a bisquinolinium compound, targets and binds to 5?-UTR quadruplexes 4G3U (GGGU)3GGG of reporter gene (hRluc) and efficient suppress gene expression.",21681881,,,,,,"Halder K, Largy E, Benzler M, Teulade-Fichou MP, Hartig JS. Efficient suppression of gene expression by targeting 5'-UTR-based RNA quadruplexes with bisquinolinium compounds. Chembiochem. 2011 Jul 25;12(11):1663-8. doi: 10.1002/cbic.201100228. Epub 2011 Jun 16. PMID: 21681881.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21681881/,,,,,,44449504,No,No,,,,
DBoRL1266,PhenDC3,"1-methyl-3-{9-[(1-methylquinolin-1-ium-3-yl)carbamoyl]-1,10-phenanthroline-2-amido}quinolin-1-ium",C[N+]1=C2C=CC=CC2=CC(NC(=O)C2=CC=C3C=CC4=CC=C(N=C4C3=N2)C(=O)NC2=C[N+](C)=C3C=CC=CC3=C2)=C1,"InChI=1S/C34H24N6O2/c1-39-19-25(17-23-7-3-5-9-29(23)39)35-33(41)27-15-13-21-11-12-22-14-16-28(38-32(22)31(21)37-27)34(42)36-26-18-24-8-4-6-10-30(24)40(2)20-26/h3-20H,1-2H3/p+2",CTOLNXAGCUTHBW-UHFFFAOYSA-P,C34H26N6O2,942936-75-6,550.621,-3.040300424,2,4,4,7,,"PhenDC3, a bisquinolinium compound, targets and binds to 5'-UTR quadruplexes 4G3U (GGGU)3GGG of reporter gene (hRluc) and efficient suppress gene expression.",21681881,,,,,,"Halder K, Largy E, Benzler M, Teulade-Fichou MP, Hartig JS. Efficient suppression of gene expression by targeting 5'-UTR-based RNA quadruplexes with bisquinolinium compounds. Chembiochem. 2011 Jul 25;12(11):1663-8. doi: 10.1002/cbic.201100228. Epub 2011 Jun 16. PMID: 21681881.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21681881/,,,,,,44449504,No,No,,,,
DBoRL1267,PhenDC3,"1-methyl-3-{9-[(1-methylquinolin-1-ium-3-yl)carbamoyl]-1,10-phenanthroline-2-amido}quinolin-1-ium",C[N+]1=C2C=CC=CC2=CC(NC(=O)C2=CC=C3C=CC4=CC=C(N=C4C3=N2)C(=O)NC2=C[N+](C)=C3C=CC=CC3=C2)=C1,"InChI=1S/C34H24N6O2/c1-39-19-25(17-23-7-3-5-9-29(23)39)35-33(41)27-15-13-21-11-12-22-14-16-28(38-32(22)31(21)37-27)34(42)36-26-18-24-8-4-6-10-30(24)40(2)20-26/h3-20H,1-2H3/p+2",CTOLNXAGCUTHBW-UHFFFAOYSA-P,C34H26N6O2,942936-75-6,550.621,-3.040300424,2,4,4,7,,"PhenDC3, a bisquinolinium compound, targets and binds with 5'-UTR quadruplexes 4G3U2 (GGGUU)3GGG of reporter gene (hRluc) and efficient suppress gene expression.",21681881,,,,,,"Halder K, Largy E, Benzler M, Teulade-Fichou MP, Hartig JS. Efficient suppression of gene expression by targeting 5'-UTR-based RNA quadruplexes with bisquinolinium compounds. Chembiochem. 2011 Jul 25;12(11):1663-8. doi: 10.1002/cbic.201100228. Epub 2011 Jun 16. PMID: 21681881.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21681881/,,,,,,44449504,No,No,,,,
DBoRL1268,PhenDC3,"1-methyl-3-{9-[(1-methylquinolin-1-ium-3-yl)carbamoyl]-1,10-phenanthroline-2-amido}quinolin-1-ium",C[N+]1=C2C=CC=CC2=CC(NC(=O)C2=CC=C3C=CC4=CC=C(N=C4C3=N2)C(=O)NC2=C[N+](C)=C3C=CC=CC3=C2)=C1,"InChI=1S/C34H24N6O2/c1-39-19-25(17-23-7-3-5-9-29(23)39)35-33(41)27-15-13-21-11-12-22-14-16-28(38-32(22)31(21)37-27)34(42)36-26-18-24-8-4-6-10-30(24)40(2)20-26/h3-20H,1-2H3/p+2",CTOLNXAGCUTHBW-UHFFFAOYSA-P,C34H26N6O2,942936-75-6,550.621,-3.040300424,2,4,4,7,,"PhenDC3, a bisquinolinium compound, targets and binds with 5'-UTR quadruplexes 4G3U3 (GGGUUU)3GGG of reporter gene (hRluc) and efficient suppress gene expression.",21681881,,,,,,"Halder K, Largy E, Benzler M, Teulade-Fichou MP, Hartig JS. Efficient suppression of gene expression by targeting 5'-UTR-based RNA quadruplexes with bisquinolinium compounds. Chembiochem. 2011 Jul 25;12(11):1663-8. doi: 10.1002/cbic.201100228. Epub 2011 Jun 16. PMID: 21681881.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21681881/,,,,,,44449504,No,No,,,,
DBoRL1269,Phen-DC6,"1-methyl-6-{9-[(1-methylquinolin-1-ium-6-yl)carbamoyl]-1,10-phenanthroline-2-amido}quinolin-1-ium",C[n+]1cccc2cc(NC(=O)c3ccc4ccc5ccc(C(=O)Nc6ccc7c(ccc[n+]7C)c6)nc5c4n3)ccc21,"InChI=1S/C34H24N6O2/c1-39-17-3-5-23-19-25(11-15-29(23)39)35-33(41)27-13-9-21-7-8-22-10-14-28(38-32(22)31(21)37-27)34(42)36-26-12-16-30-24(20-26)6-4-18-40(30)2/h3-20H,1-2H3/p+2",CPGLBMNDOCLYCG-UHFFFAOYSA-P,C34H26N6O2,Not Found,550.621,-3.040300424,2,4,4,7,Reporter gene (hRluc) with 5'-UTR quadruplexes 4G3U (GGGU)3GGG,"Phen-DC6, a bisquinolinium compound, targets and binds to 5?-UTR quadruplexes 4G3U (GGGU)3GGG of reporter gene (hRluc) and efficient suppress gene expression.",21681881,,,,,,"Halder K, Largy E, Benzler M, Teulade-Fichou MP, Hartig JS. Efficient suppression of gene expression by targeting 5'-UTR-based RNA quadruplexes with bisquinolinium compounds. Chembiochem. 2011 Jul 25;12(11):1663-8. doi: 10.1002/cbic.201100228. Epub 2011 Jun 16. PMID: 21681881.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21681881/,,,,,,124201739,No,No,,,,
DBoRL1270,PhenDC6,"1-methyl-6-{9-[(1-methylquinolin-1-ium-6-yl)carbamoyl]-1,10-phenanthroline-2-amido}quinolin-1-ium",C[N+]1=CC=CC2=CC(NC(=O)C3=CC=C4C=CC5=CC=C(N=C5C4=N3)C(=O)NC3=CC=C4C(C=CC=[N+]4C)=C3)=CC=C12,"InChI=1S/C34H24N6O2/c1-39-17-3-5-23-19-25(11-15-29(23)39)35-33(41)27-13-9-21-7-8-22-10-14-28(38-32(22)31(21)37-27)34(42)36-26-12-16-30-24(20-26)6-4-18-40(30)2/h3-20H,1-2H3/p+2",CPGLBMNDOCLYCG-UHFFFAOYSA-P,C34H26N6O2,Not Found,550.621,-3.040300424,2,4,4,7,,"PhenDC6, a bisquinolinium compound, targets and binds to 5'-UTR quadruplexes 4G3U (GGGU)3GGG of reporter gene (hRluc) and efficient suppress gene expression.",21681881,,,,,,"Halder K, Largy E, Benzler M, Teulade-Fichou MP, Hartig JS. Efficient suppression of gene expression by targeting 5'-UTR-based RNA quadruplexes with bisquinolinium compounds. Chembiochem. 2011 Jul 25;12(11):1663-8. doi: 10.1002/cbic.201100228. Epub 2011 Jun 16. PMID: 21681881.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21681881/,,,,,,124201739,No,No,,,,
DBoRL1271,PhenDC6,"1-methyl-6-{9-[(1-methylquinolin-1-ium-6-yl)carbamoyl]-1,10-phenanthroline-2-amido}quinolin-1-ium",C[N+]1=CC=CC2=CC(NC(=O)C3=CC=C4C=CC5=CC=C(N=C5C4=N3)C(=O)NC3=CC=C4C(C=CC=[N+]4C)=C3)=CC=C12,"InChI=1S/C34H24N6O2/c1-39-17-3-5-23-19-25(11-15-29(23)39)35-33(41)27-13-9-21-7-8-22-10-14-28(38-32(22)31(21)37-27)34(42)36-26-12-16-30-24(20-26)6-4-18-40(30)2/h3-20H,1-2H3/p+2",CPGLBMNDOCLYCG-UHFFFAOYSA-P,C34H26N6O2,Not Found,550.621,-3.040300424,2,4,4,7,,"PhenDC6, a bisquinolinium compound, targets and binds with 5'-UTR quadruplexes 4G3U2 (GGGUU)3GGG of reporter gene (hRluc) and efficient suppress gene expression.",21681881,,,,,,"Halder K, Largy E, Benzler M, Teulade-Fichou MP, Hartig JS. Efficient suppression of gene expression by targeting 5'-UTR-based RNA quadruplexes with bisquinolinium compounds. Chembiochem. 2011 Jul 25;12(11):1663-8. doi: 10.1002/cbic.201100228. Epub 2011 Jun 16. PMID: 21681881.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21681881/,,,,,,124201739,No,No,,,,
DBoRL1272,PhenDC6,"1-methyl-6-{9-[(1-methylquinolin-1-ium-6-yl)carbamoyl]-1,10-phenanthroline-2-amido}quinolin-1-ium",C[N+]1=CC=CC2=CC(NC(=O)C3=CC=C4C=CC5=CC=C(N=C5C4=N3)C(=O)NC3=CC=C4C(C=CC=[N+]4C)=C3)=CC=C12,"InChI=1S/C34H24N6O2/c1-39-17-3-5-23-19-25(11-15-29(23)39)35-33(41)27-13-9-21-7-8-22-10-14-28(38-32(22)31(21)37-27)34(42)36-26-12-16-30-24(20-26)6-4-18-40(30)2/h3-20H,1-2H3/p+2",CPGLBMNDOCLYCG-UHFFFAOYSA-P,C34H26N6O2,Not Found,550.621,-3.040300424,2,4,4,7,,"PhenDC6, a bisquinolinium compound, targets and binds with 5'-UTR quadruplexes 4G3U3 (GGGUUU)3GGG of reporter gene (hRluc) and efficient suppress gene expression.",21681881,,,,,,"Halder K, Largy E, Benzler M, Teulade-Fichou MP, Hartig JS. Efficient suppression of gene expression by targeting 5'-UTR-based RNA quadruplexes with bisquinolinium compounds. Chembiochem. 2011 Jul 25;12(11):1663-8. doi: 10.1002/cbic.201100228. Epub 2011 Jun 16. PMID: 21681881.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21681881/,,,,,,124201739,No,No,,,,
DBoRL1273,Amikacin (4),"(2S,3R,4R,5S,6R)-2-{[(1S,2S,3R,4S,6R)-4-azaniumyl-6-[(2S)-4-azaniumyl-2-hydroxybutanamido]-3-{[(2R,3R,4S,5S,6R)-6-(azaniumylmethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-aminium",[H][N+]([H])([H])CC[C@H](O)C(=O)N[C@@H]1C[C@@H]([C@@H](O[C@H]2O[C@H](C[N+]([H])([H])[H])[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H]([C@H]1O)[N+]([H])([H])[H])[N+]([H])([H])[H],"InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/p+4/t6-,7+,8-,9+,10+,11+,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1",LKCWBDHBTVXHDL-PWMJDLAFSA-R,C22H47N5O13,Not Found,589.638,-8.584382674,13,13,10,3,HIV-2 TAR RNA,"Amikacin is a selective bioactive small molecule that is obtained by targeting an RNA dynamic ensemble. Amikacin binds with HIV-2 TAR RNA and may inhibits Tat-mediated activation of the HIV-1. But, the exact mode of action of Amikacin is not known.",21706033,,,,,,"Stelzer AC, Frank AT, Kratz JD, Swanson MD, Gonzalez-Hernandez MJ, Lee J, Andricioaei I, Markovitz DM, Al-Hashimi HM. Discovery of selective bioactive small molecules by targeting an RNA dynamic ensemble. Nat Chem Biol. 2011 Jun 26;7(8):553-9. doi: 10.1038/nchembio.596. PMID: 21706033; PMCID: PMC3319144.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21706033/,,,,,,Not Found,Yes,Yes,Investigational Vet_approved,DB00479,https://go.drugbank.com/drugs/DB00479,This is the isomeric form of the drug approved by USFDA.
DBoRL1274,"5-(N,N)-Dimethyl amiloride (6)",3-amino-6-chloro-N-(diaminomethylidene)-5-(dimethylamino)pyrazine-2-carboxamide,CN(C)C1=NC(N)=C(N=C1Cl)C(=O)N=C(N)N,"InChI=1S/C8H12ClN7O/c1-16(2)6-4(9)13-3(5(10)14-6)7(17)15-8(11)12/h1-2H3,(H2,10,14)(H4,11,12,15,17)",RXMUPNVSYKGKMY-UHFFFAOYSA-N,C8H12ClN7O,1214-79-5,257.68,0.046600696,3,8,2,1,HIV-2 TAR RNA,"DMA which binds to the HIV-1 TAR RNA apical loop but not strong selectivity. So, binding DMA with RNA, may inhibits Tat-mediated activation of the HIV-1.",21706033,,,,,,"Stelzer AC, Frank AT, Kratz JD, Swanson MD, Gonzalez-Hernandez MJ, Lee J, Andricioaei I, Markovitz DM, Al-Hashimi HM. Discovery of selective bioactive small molecules by targeting an RNA dynamic ensemble. Nat Chem Biol. 2011 Jun 26;7(8):553-9. doi: 10.1038/nchembio.596. PMID: 21706033; PMCID: PMC3319144.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21706033/,,,,,,1793,No,No,,,,
DBoRL1275,"2-[[5,8-Dihydroxy-4-[2-(2-hydroxyethylazaniumyl)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl-(2-hydroxyethyl)azanium","(2-{[5,8-dihydroxy-4-({2-[(2-hydroxyethyl)azaniumyl]ethyl}amino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}ethyl)(2-hydroxyethyl)azanium",O=C1c2c(O)ccc(O)c2C(=O)c2c(NCC[NH2+]CCO)ccc(NCC[NH2+]CCO)c21,"InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2/p+2",KKZJGLLVHKMTCM-UHFFFAOYSA-P,C22H30N4O6,Not Found,446.503,0.651459895,8,8,12,3,HIV-1 TAR RNA,"HIV-1 TAR RNA plays an important role in viral replication by binding the transactivating regulatory protein Tat. 2-[[5,8-Dihydroxy-4-[2-(2-hydroxyethylazaniumyl)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl-(2-hydroxyethyl)azanium binds with HIV TAR RNA and inhibits the Tat-TAR interaction completely. Hence, viral replication and proliferation inhibited. ",21706033,,,,,,"Stelzer AC, Frank AT, Kratz JD, Swanson MD, Gonzalez-Hernandez MJ, Lee J, Andricioaei I, Markovitz DM, Al-Hashimi HM. Discovery of selective bioactive small molecules by targeting an RNA dynamic ensemble. Nat Chem Biol. 2011 Jun 26;7(8):553-9. doi: 10.1038/nchembio.596. PMID: 21706033; PMCID: PMC3319144.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21706033/,,,,,,24848320,No,No,,,,
DBoRL1276,Mitoxantrone (1),"(2-{[5,8-dihydroxy-4-({2-[(2-hydroxyethyl)azaniumyl]ethyl}amino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}ethyl)(2-hydroxyethyl)azanium",[H][N+]([H])(CCO)CCNC1=C2C(=O)C3=C(O)C=CC(O)=C3C(=O)C2=C(NCC[N+]([H])([H])CCO)C=C1,"InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2/p+2",KKZJGLLVHKMTCM-UHFFFAOYSA-P,C22H30N4O6,Not Found,446.503,0.651459895,8,8,12,3,HIV-2 TAR RNA,"Mitoxantrone is a known RNA binder31, binds TAR with an affinity (Kd ~ 55 nM). But how mitoxantrone interact with HIV-2 TAR RNA is still experimentally unknown.",21706033,,,,,,"Stelzer AC, Frank AT, Kratz JD, Swanson MD, Gonzalez-Hernandez MJ, Lee J, Andricioaei I, Markovitz DM, Al-Hashimi HM. Discovery of selective bioactive small molecules by targeting an RNA dynamic ensemble. Nat Chem Biol. 2011 Jun 26;7(8):553-9. doi: 10.1038/nchembio.596. PMID: 21706033; PMCID: PMC3319144.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21706033/,,,,,,24848320,Yes,Yes,Investigational,DB01204,https://go.drugbank.com/drugs/DB01204,This is the isomeric form of the drug approved by USFDA.
DBoRL1277,Sisomicin (2),"(1R,3S,4R,5S,6S)-4-{[(2S,3R)-3-azaniumyl-6-(azaniumylmethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-6-{[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylazaniumyl)oxan-2-yl]oxy}-5-hydroxycyclohexane-1,3-bis(aminium)",[H][N+]([H])([H])CC1=CC[C@H]([C@@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3OC[C@](C)(O)[C@@H]([C@H]3O)[N+]([H])([H])C)[C@@H](C[C@@H]2[N+]([H])([H])[H])[N+]([H])([H])[H])O1)[N+]([H])([H])[H],"InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/p+5/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1",URWAJWIAIPFPJE-YFMIWBNJSA-S,C19H42N5O7,Not Found,452.57,-4.318567551,8,7,6,3,RRE RNA,Mode of action is not known.,21706033,,,,,,"Stelzer AC, Frank AT, Kratz JD, Swanson MD, Gonzalez-Hernandez MJ, Lee J, Andricioaei I, Markovitz DM, Al-Hashimi HM. Discovery of selective bioactive small molecules by targeting an RNA dynamic ensemble. Nat Chem Biol. 2011 Jun 26;7(8):553-9. doi: 10.1038/nchembio.596. PMID: 21706033; PMCID: PMC3319144.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21706033/,,,,,,Not Found,Yes,No,Investigational,DB12604,https://go.drugbank.com/drugs/DB12604,This is the isomeric form of the drug approved by USFDA.
DBoRL1278,Amikacin (4),"(2S,3R,4R,5S,6R)-2-{[(1S,2S,3R,4S,6R)-4-azaniumyl-6-[(2S)-4-azaniumyl-2-hydroxybutanamido]-3-{[(2R,3R,4S,5S,6R)-6-(azaniumylmethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-aminium",[H][N+]([H])([H])CC[C@H](O)C(=O)N[C@@H]1C[C@@H]([C@@H](O[C@H]2O[C@H](C[N+]([H])([H])[H])[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H]([C@H]1O)[N+]([H])([H])[H])[N+]([H])([H])[H],"InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/p+4/t6-,7+,8-,9+,10+,11+,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1",LKCWBDHBTVXHDL-PWMJDLAFSA-R,C22H47N5O13,Not Found,589.638,-8.584382674,13,13,10,3,RRE RNA,Mode of action is not known.,21706033,,,,,,"Stelzer AC, Frank AT, Kratz JD, Swanson MD, Gonzalez-Hernandez MJ, Lee J, Andricioaei I, Markovitz DM, Al-Hashimi HM. Discovery of selective bioactive small molecules by targeting an RNA dynamic ensemble. Nat Chem Biol. 2011 Jun 26;7(8):553-9. doi: 10.1038/nchembio.596. PMID: 21706033; PMCID: PMC3319144.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21706033/,,,,,,Not Found,Yes,Yes,Investigational Vet_approved,DB00479,https://go.drugbank.com/drugs/DB00479,This is the isomeric form of the drug approved by USFDA.
DBoRL1279,Sisomicin (2),"(1R,3S,4R,5S,6S)-4-{[(2S,3R)-3-azaniumyl-6-(azaniumylmethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-6-{[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylazaniumyl)oxan-2-yl]oxy}-5-hydroxycyclohexane-1,3-bis(aminium)",[H][N+]([H])([H])CC1=CC[C@H]([C@@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3OC[C@](C)(O)[C@@H]([C@H]3O)[N+]([H])([H])C)[C@@H](C[C@@H]2[N+]([H])([H])[H])[N+]([H])([H])[H])O1)[N+]([H])([H])[H],"InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/p+5/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1",URWAJWIAIPFPJE-YFMIWBNJSA-S,C19H42N5O7,Not Found,452.57,-4.318567551,8,7,6,3,(A-site) rRNA,Mode of action is not known.,21706033,,,,,,"Stelzer AC, Frank AT, Kratz JD, Swanson MD, Gonzalez-Hernandez MJ, Lee J, Andricioaei I, Markovitz DM, Al-Hashimi HM. Discovery of selective bioactive small molecules by targeting an RNA dynamic ensemble. Nat Chem Biol. 2011 Jun 26;7(8):553-9. doi: 10.1038/nchembio.596. PMID: 21706033; PMCID: PMC3319144.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21706033/,,,,,,Not Found,Yes,No,Investigational,DB12604,https://go.drugbank.com/drugs/DB12604,This is the isomeric form of the drug approved by USFDA.
DBoRL1280,Amikacin (4),"(2S,3R,4R,5S,6R)-2-{[(1S,2S,3R,4S,6R)-4-azaniumyl-6-[(2S)-4-azaniumyl-2-hydroxybutanamido]-3-{[(2R,3R,4S,5S,6R)-6-(azaniumylmethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-aminium",[H][N+]([H])([H])CC[C@H](O)C(=O)N[C@@H]1C[C@@H]([C@@H](O[C@H]2O[C@H](C[N+]([H])([H])[H])[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H]([C@H]1O)[N+]([H])([H])[H])[N+]([H])([H])[H],"InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/p+4/t6-,7+,8-,9+,10+,11+,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1",LKCWBDHBTVXHDL-PWMJDLAFSA-R,C22H47N5O13,Not Found,589.638,-8.584382674,13,13,10,3,(A-site) rRNA,Mode of action is not known.,21706033,,,,,,"Stelzer AC, Frank AT, Kratz JD, Swanson MD, Gonzalez-Hernandez MJ, Lee J, Andricioaei I, Markovitz DM, Al-Hashimi HM. Discovery of selective bioactive small molecules by targeting an RNA dynamic ensemble. Nat Chem Biol. 2011 Jun 26;7(8):553-9. doi: 10.1038/nchembio.596. PMID: 21706033; PMCID: PMC3319144.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21706033/,,,,,,Not Found,Yes,Yes,Investigational Vet_approved,DB00479,https://go.drugbank.com/drugs/DB00479,This is the isomeric form of the drug approved by USFDA.
DBoRL1281,Netilmicin (3),"(1R,3S,4R,5S,6S)-4-{[(2S,3R)-3-azaniumyl-6-(azaniumylmethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-6-{[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylazaniumyl)oxan-2-yl]oxy}-N1-ethyl-5-hydroxycyclohexane-1,3-bis(aminium)",[H][N+]([H])([H])CC1=CC[C@H]([C@@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3OC[C@](C)(O)[C@@H]([C@H]3O)[N+]([H])([H])C)[C@@H](C[C@@H]2[N+]([H])([H])[H])[N+]([H])([H])CC)O1)[N+]([H])([H])[H],"InChI=1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/p+5/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1",CIDUJQMULVCIBT-MQDUPKMGSA-S,C21H46N5O7,Not Found,480.624,-3.529179202,8,7,8,3,(A-site) rRNA,"Netilmicin showed the highest and exquisite levels of selectivity. It binds the closely related HIV-2 TAR with negligible affinity, and to A-site with 35- and 86-fold reduced affinity. After binding what occur is still not known experimentally.",21706033,,,,,,"Stelzer AC, Frank AT, Kratz JD, Swanson MD, Gonzalez-Hernandez MJ, Lee J, Andricioaei I, Markovitz DM, Al-Hashimi HM. Discovery of selective bioactive small molecules by targeting an RNA dynamic ensemble. Nat Chem Biol. 2011 Jun 26;7(8):553-9. doi: 10.1038/nchembio.596. PMID: 21706033; PMCID: PMC3319144.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21706033/,,,,,,Not Found,Yes,Yes,Investigational,DB00955,https://go.drugbank.com/drugs/DB00955,This is the isomeric form of the drug approved by USFDA.
DBoRL1282,Netilmicin (3),"(1R,3S,4R,5S,6S)-4-{[(2S,3R)-3-azaniumyl-6-(azaniumylmethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-6-{[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylazaniumyl)oxan-2-yl]oxy}-N1-ethyl-5-hydroxycyclohexane-1,3-bis(aminium)",[H][N+]([H])([H])CC1=CC[C@H]([C@@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3OC[C@](C)(O)[C@@H]([C@H]3O)[N+]([H])([H])C)[C@@H](C[C@@H]2[N+]([H])([H])[H])[N+]([H])([H])CC)O1)[N+]([H])([H])[H],"InChI=1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/p+5/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1",CIDUJQMULVCIBT-MQDUPKMGSA-S,C21H46N5O7,Not Found,480.624,-3.529179202,8,7,8,3,RRE RNA,"Netilmicin showed the highest and exquisite levels of selectivity. It binds the closely related HIV-2 TAR with negligible affinity, RRE RNA with 35- and 86-fold reduced affinity. After binding what occur is still not known experimentally.",21706033,,,,,,"Stelzer AC, Frank AT, Kratz JD, Swanson MD, Gonzalez-Hernandez MJ, Lee J, Andricioaei I, Markovitz DM, Al-Hashimi HM. Discovery of selective bioactive small molecules by targeting an RNA dynamic ensemble. Nat Chem Biol. 2011 Jun 26;7(8):553-9. doi: 10.1038/nchembio.596. PMID: 21706033; PMCID: PMC3319144.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21706033/,,,,,,Not Found,Yes,Yes,Investigational,DB00955,https://go.drugbank.com/drugs/DB00955,This is the isomeric form of the drug approved by USFDA.
DBoRL1283,Mitoxantrone (1),"(2-{[5,8-dihydroxy-4-({2-[(2-hydroxyethyl)azaniumyl]ethyl}amino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}ethyl)(2-hydroxyethyl)azanium",[H][N+]([H])(CCO)CCNC1=C2C(=O)C3=C(O)C=CC(O)=C3C(=O)C2=C(NCC[N+]([H])([H])CCO)C=C1,"InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2/p+2",KKZJGLLVHKMTCM-UHFFFAOYSA-P,C22H30N4O6,Not Found,446.503,0.651459895,8,8,12,3,HIV-1 TAR RNA,This is a selective bioactive small molecule that is obtained by targeting an RNA dynamic ensemble. The compound binds with HIV-1 TAR (Trans Activation Response) RNA and inhibits its interaction with a Tat peptide in vitro. The compound binds HIV-1 TAR selectivity and inhibits Tat-mediated activation of the HIV-1 long terminal repeat in T cell lines and HIV replication in an HIV-1 indicator cell line.,21706033,,,,,,"Stelzer AC, Frank AT, Kratz JD, Swanson MD, Gonzalez-Hernandez MJ, Lee J, Andricioaei I, Markovitz DM, Al-Hashimi HM. Discovery of selective bioactive small molecules by targeting an RNA dynamic ensemble. Nat Chem Biol. 2011 Jun 26;7(8):553-9. doi: 10.1038/nchembio.596. PMID: 21706033; PMCID: PMC3319144.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21706033/,,,,,,24848320,Yes,Yes,Investigational,DB01204,https://go.drugbank.com/drugs/DB01204,This is the isomeric form of the drug approved by USFDA.
DBoRL1284,Sisomicin (2),"(1R,3S,4R,5S,6S)-4-{[(2S,3R)-3-azaniumyl-6-(azaniumylmethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-6-{[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylazaniumyl)oxan-2-yl]oxy}-5-hydroxycyclohexane-1,3-bis(aminium)",[H][N+]([H])([H])CC1=CC[C@H]([C@@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3OC[C@](C)(O)[C@@H]([C@H]3O)[N+]([H])([H])C)[C@@H](C[C@@H]2[N+]([H])([H])[H])[N+]([H])([H])[H])O1)[N+]([H])([H])[H],"InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/p+5/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1",URWAJWIAIPFPJE-YFMIWBNJSA-S,C19H42N5O7,Not Found,452.57,-4.318567551,8,7,6,3,HIV-1 TAR RNA,This is a selective bioactive small molecule that is obtained by targeting an RNA dynamic ensemble. The compound binds with HIV-1 TAR (Trans Activation Response) RNA and inhibits its interaction with a Tat peptide in vitro. The compound binds HIV-1 TAR selectivity and inhibits Tat-mediated activation of the HIV-1 long terminal repeat in T cell lines and HIV replication in an HIV-1 indicator cell line.,21706033,,,,,,"Stelzer AC, Frank AT, Kratz JD, Swanson MD, Gonzalez-Hernandez MJ, Lee J, Andricioaei I, Markovitz DM, Al-Hashimi HM. Discovery of selective bioactive small molecules by targeting an RNA dynamic ensemble. Nat Chem Biol. 2011 Jun 26;7(8):553-9. doi: 10.1038/nchembio.596. PMID: 21706033; PMCID: PMC3319144.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21706033/,,,,,,Not Found,Yes,No,Investigational,DB12604,https://go.drugbank.com/drugs/DB12604,This is the isomeric form of the drug approved by USFDA.
DBoRL1285,Amikacin (4),"(2S,3R,4R,5S,6R)-2-{[(1S,2S,3R,4S,6R)-4-azaniumyl-6-[(2S)-4-azaniumyl-2-hydroxybutanamido]-3-{[(2R,3R,4S,5S,6R)-6-(azaniumylmethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-aminium",[H][N+]([H])([H])CC[C@H](O)C(=O)N[C@@H]1C[C@@H]([C@@H](O[C@H]2O[C@H](C[N+]([H])([H])[H])[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H]([C@H]1O)[N+]([H])([H])[H])[N+]([H])([H])[H],"InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/p+4/t6-,7+,8-,9+,10+,11+,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1",LKCWBDHBTVXHDL-PWMJDLAFSA-R,C22H47N5O13,Not Found,589.638,-8.584382674,13,13,10,3,HIV-1 TAR RNA,This is a selective bioactive small molecule that is obtained by targeting an RNA dynamic ensemble. The compound binds with HIV-1 TAR (Trans Activation Response) RNA and inhibits its interaction with a Tat peptide in vitro. The compound binds HIV-1 TAR selectivity and inhibits Tat-mediated activation of the HIV-1 long terminal repeat in T cell lines and HIV replication in an HIV-1 indicator cell line.,21706033,,,,,,"Stelzer AC, Frank AT, Kratz JD, Swanson MD, Gonzalez-Hernandez MJ, Lee J, Andricioaei I, Markovitz DM, Al-Hashimi HM. Discovery of selective bioactive small molecules by targeting an RNA dynamic ensemble. Nat Chem Biol. 2011 Jun 26;7(8):553-9. doi: 10.1038/nchembio.596. PMID: 21706033; PMCID: PMC3319144.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21706033/,,,,,,Not Found,Yes,Yes,Investigational Vet_approved,DB00479,https://go.drugbank.com/drugs/DB00479,This is the isomeric form of the drug approved by USFDA.
DBoRL1286,Butirosin A (5),"(2R,3R,4R,5S,6R)-2-{[(1R,2R,4R,6S)-6-azaniumyl-4-[(2S)-4-azaniumyl-2-hydroxybutanamido]-2-{[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl]oxy}-6-(azaniumylmethyl)-4,5-dihydroxyoxan-3-aminium",[H][N+]([H])([H])CC[C@H](O)C(=O)N[C@@H]1C[C@@H]([C@@H](O[C@H]2O[C@H](C[N+]([H])([H])[H])[C@@H](O)[C@H](O)[C@H]2[N+]([H])([H])[H])[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)C1O)[N+]([H])([H])[H],"InChI=1S/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/p+4/t6-,7+,8-,9+,10+,11+,12?,13+,14-,15+,16+,17+,18+,20+,21-/m0/s1",XEQLFNPSYWZPOW-ZABOQXBWSA-R,C21H45N5O12,Not Found,559.612,-7.954047732,12,12,10,3,HIV-1 TAR RNA,This is a selective bioactive small molecule that is obtained by targeting an RNA dynamic ensemble. The compound binds with HIV-1 TAR (Trans Activation Response) RNA and inhibits its interaction with a Tat peptide in vitro. The compound binds HIV-1 TAR selectivity and inhibits Tat-mediated activation of the HIV-1 long terminal repeat in T cell lines and HIV replication in an HIV-1 indicator cell line.,21706033,,,,,,"Stelzer AC, Frank AT, Kratz JD, Swanson MD, Gonzalez-Hernandez MJ, Lee J, Andricioaei I, Markovitz DM, Al-Hashimi HM. Discovery of selective bioactive small molecules by targeting an RNA dynamic ensemble. Nat Chem Biol. 2011 Jun 26;7(8):553-9. doi: 10.1038/nchembio.596. PMID: 21706033; PMCID: PMC3319144.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21706033/,,,,,,Not Found,No,No,,,,
DBoRL1287,"5-(N,N)-Dimethyl amiloride (6)",3-amino-6-chloro-N-(diaminomethylidene)-5-(dimethylamino)pyrazine-2-carboxamide,CN(C)C1=NC(N)=C(N=C1Cl)C(=O)N=C(N)N,"InChI=1S/C8H12ClN7O/c1-16(2)6-4(9)13-3(5(10)14-6)7(17)15-8(11)12/h1-2H3,(H2,10,14)(H4,11,12,15,17)",RXMUPNVSYKGKMY-UHFFFAOYSA-N,C8H12ClN7O,1214-79-5,257.68,0.046600696,3,8,2,1,HIV-1 TAR RNA,This is a selective bioactive small molecule that is obtained by targeting an RNA dynamic ensemble. The compound binds with HIV-1 TAR (Trans Activation Response) RNA and inhibits its interaction with a Tat peptide in vitro. The compound binds HIV-1 TAR selectivity and inhibits Tat-mediated activation of the HIV-1 long terminal repeat in T cell lines and HIV replication in an HIV-1 indicator cell line.,21706033,,,,,,"Stelzer AC, Frank AT, Kratz JD, Swanson MD, Gonzalez-Hernandez MJ, Lee J, Andricioaei I, Markovitz DM, Al-Hashimi HM. Discovery of selective bioactive small molecules by targeting an RNA dynamic ensemble. Nat Chem Biol. 2011 Jun 26;7(8):553-9. doi: 10.1038/nchembio.596. PMID: 21706033; PMCID: PMC3319144.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21706033/,,,,,,1793,No,No,,,,
DBoRL1288,Netilmicin (3),"(1R,3S,4R,5S,6S)-4-{[(2S,3R)-3-azaniumyl-6-(azaniumylmethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-6-{[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylazaniumyl)oxan-2-yl]oxy}-N1-ethyl-5-hydroxycyclohexane-1,3-bis(aminium)",[H][N+]([H])([H])CC1=CC[C@H]([C@@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3OC[C@](C)(O)[C@@H]([C@H]3O)[N+]([H])([H])C)[C@@H](C[C@@H]2[N+]([H])([H])[H])[N+]([H])([H])CC)O1)[N+]([H])([H])[H],"InChI=1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/p+5/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1",CIDUJQMULVCIBT-MQDUPKMGSA-S,C21H46N5O7,Not Found,480.624,-3.529179202,8,7,8,3,HIV-1 TAR RNA,This is a selective bioactive small molecule that is obtained by targeting an RNA dynamic ensemble. The compound binds with HIV-1 TAR (Trans Activation Response) RNA and inhibits its interaction with a Tat peptide in vitro. This particular compound binds HIV-1 TAR with exceptional selectivity and inhibits Tat-mediated activation of the HIV-1 long terminal repeat by 81% in T cell lines and HIV replication in an HIV-1 indicator cell line (IC50 ~23.1 ?M).,21706033,,,,,,"Stelzer AC, Frank AT, Kratz JD, Swanson MD, Gonzalez-Hernandez MJ, Lee J, Andricioaei I, Markovitz DM, Al-Hashimi HM. Discovery of selective bioactive small molecules by targeting an RNA dynamic ensemble. Nat Chem Biol. 2011 Jun 26;7(8):553-9. doi: 10.1038/nchembio.596. PMID: 21706033; PMCID: PMC3319144.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21706033/,,,,,,Not Found,Yes,Yes,Investigational,DB00955,https://go.drugbank.com/drugs/DB00955,This is the isomeric form of the drug approved by USFDA.
DBoRL1289,DPA 51,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-2-{[4-({[1-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-3-[(3,6-diamino-4,5-dihydroxyoxan-2-yl)oxy]-4-hydroxyoxolan-2-yl}methyl)-1H-1,2,3-triazol-4-yl]methoxy}methyl)-1H-1,2,3-triazol-1-yl]methyl}-4-hydroxyoxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(Cn3cc(COCc4cn(CC5OC(OC6C(O)C(N)CC(N)C6OC6OC(CN)C(O)C(O)C6N)C(O)C5OC5OC(N)C(O)C(O)C5N)nn4)nn3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C51H94N18O25/c52-3-18-29(72)32(75)23(59)46(83-18)88-39-16(57)1-14(55)27(70)43(39)92-50-37(80)41(90-48-25(61)34(77)31(74)20(5-54)85-48)21(86-50)8-68-6-12(64-66-68)10-82-11-13-7-69(67-65-13)9-22-42(91-49-26(62)35(78)36(79)45(63)94-49)38(81)51(87-22)93-44-28(71)15(56)2-17(58)40(44)89-47-24(60)33(76)30(73)19(4-53)84-47/h6-7,14-51,70-81H,1-5,8-11,52-63H2",WIVVTRVLVXOPRL-UHFFFAOYNA-N,C51H94N18O25,Not Found,1359.41,-15.69668247,24,41,23,10,HIV-1 TAR RNA,"HIV-1 TAR RNA plays an important role in viral replication by binding the transactivating regulatory protein Tat. DPA 51, a triazole linked neomycin dimer, binds with HIV TAR RNA and inhibits the Tat-TAR interaction completely. Hence, viral replication and proliferation inhibited. ",21757341,,,,,,"Kumar S, Arya DP. Recognition of HIV TAR RNA by triazole linked neomycin dimers. Bioorg Med Chem Lett. 2011 Aug 15;21(16):4788-92. doi: 10.1016/j.bmcl.2011.06.058. Epub 2011 Jun 21. Erratum in: Bioorg Med Chem Lett. 2012 Feb 15;22(4):1827-9. PMID: 21757341; PMCID: PMC3673547.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21757341/,,,,,,Not Found,No,No,,,,
DBoRL1290, DPA 52,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-2-[(4-{3-[1-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-3-[(3,6-diamino-4,5-dihydroxyoxan-2-yl)oxy]-4-hydroxyoxolan-2-yl}methyl)-1H-1,2,3-triazol-4-yl]propyl}-1H-1,2,3-triazol-1-yl)methyl]-4-hydroxyoxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(Cn3cc(CCCc4cn(CC5OC(OC6C(O)C(N)CC(N)C6OC6OC(CN)C(O)C(O)C6N)C(O)C5OC5OC(N)C(O)C(O)C5N)nn4)nn3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C52H96N18O24/c53-6-19-30(73)33(76)24(60)47(83-19)88-40-17(58)4-15(56)28(71)44(40)92-51-38(81)42(90-49-26(62)35(78)32(75)21(8-55)85-49)22(86-51)11-69-9-13(65-67-69)2-1-3-14-10-70(68-66-14)12-23-43(91-50-27(63)36(79)37(80)46(64)94-50)39(82)52(87-23)93-45-29(72)16(57)5-18(59)41(45)89-48-25(61)34(77)31(74)20(7-54)84-48/h9-10,15-52,71-82H,1-8,11-12,53-64H2",VBRJBDHZTYIINW-UHFFFAOYNA-N,C52H96N18O24,Not Found,1357.44,-14.73111283,24,40,23,10,HIV-1 TAR RNA,"HIV-1 TAR RNA plays an important role in viral replication by binding the transactivating regulatory protein Tat. DPA 52, a triazole linked neomycin dimer, binds with HIV TAR RNA and inhibits the Tat-TAR interaction completely. Hence, viral replication and proliferation inhibited.",21757341,,,,,,"Kumar S, Arya DP. Recognition of HIV TAR RNA by triazole linked neomycin dimers. Bioorg Med Chem Lett. 2011 Aug 15;21(16):4788-92. doi: 10.1016/j.bmcl.2011.06.058. Epub 2011 Jun 21. Erratum in: Bioorg Med Chem Lett. 2012 Feb 15;22(4):1827-9. PMID: 21757341; PMCID: PMC3673547.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21757341/,,,,,,Not Found,No,No,,,,
DBoRL1291,DPA 53,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-2-({4-[(4-{[1-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-3-[(3,6-diamino-4,5-dihydroxyoxan-2-yl)oxy]-4-hydroxyoxolan-2-yl}methyl)-1H-1,2,3-triazol-4-yl]methyl}phenyl)methyl]-1H-1,2,3-triazol-1-yl}methyl)-4-hydroxyoxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(Cn3cc(Cc4ccc(Cc5cn(CC6OC(OC7C(O)C(N)CC(N)C7OC7OC(CN)C(O)C(O)C7N)C(O)C6OC6OC(N)C(O)C(O)C6N)nn5)cc4)nn3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C57H98N18O24/c58-9-24-35(78)38(81)29(65)52(88-24)93-45-22(63)7-20(61)33(76)49(45)97-56-43(86)47(95-54-31(67)40(83)37(80)26(11-60)90-54)27(91-56)14-74-12-18(70-72-74)5-16-1-3-17(4-2-16)6-19-13-75(73-71-19)15-28-48(96-55-32(68)41(84)42(85)51(69)99-55)44(87)57(92-28)98-50-34(77)21(62)8-23(64)46(50)94-53-30(66)39(82)36(79)25(10-59)89-53/h1-4,12-13,20-57,76-87H,5-11,14-15,58-69H2",FFCBTJQMMFJKHX-UHFFFAOYNA-N,C57H98N18O24,Not Found,1419.51,-13.52845613,24,40,23,11,HIV-1 TAR RNA,"HIV-1 TAR RNA plays an important role in viral replication by binding the transactivating regulatory protein Tat. DPA 53, a triazole linked neomycin dimer, binds with HIV TAR RNA and inhibits the Tat-TAR interaction completely. Hence, viral replication and proliferation inhibited.",21757341,,,,,,"Kumar S, Arya DP. Recognition of HIV TAR RNA by triazole linked neomycin dimers. Bioorg Med Chem Lett. 2011 Aug 15;21(16):4788-92. doi: 10.1016/j.bmcl.2011.06.058. Epub 2011 Jun 21. Erratum in: Bioorg Med Chem Lett. 2012 Feb 15;22(4):1827-9. PMID: 21757341; PMCID: PMC3673547.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21757341/,,,,,,Not Found,No,No,,,,
DBoRL1292,DPA 54,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-2-[(4-{4-[1-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-3-[(3,6-diamino-4,5-dihydroxyoxan-2-yl)oxy]-4-hydroxyoxolan-2-yl}methyl)-1H-1,2,3-triazol-4-yl]butyl}-1H-1,2,3-triazol-1-yl)methyl]-4-hydroxyoxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(Cn3cc(CCCCc4cn(CC5OC(OC6C(O)C(N)CC(N)C6OC6OC(CN)C(O)C(O)C6N)C(O)C5OC5OC(N)C(O)C(O)C5N)nn4)nn3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C53H98N18O24/c54-7-20-31(74)34(77)25(61)48(84-20)89-41-18(59)5-16(57)29(72)45(41)93-52-39(82)43(91-50-27(63)36(79)33(76)22(9-56)86-50)23(87-52)12-70-10-14(66-68-70)3-1-2-4-15-11-71(69-67-15)13-24-44(92-51-28(64)37(80)38(81)47(65)95-51)40(83)53(88-24)94-46-30(73)17(58)6-19(60)42(46)90-49-26(62)35(78)32(75)21(8-55)85-49/h10-11,16-53,72-83H,1-9,12-13,54-65H2",CUTQDOPMGNQMFW-UHFFFAOYNA-N,C53H98N18O24,Not Found,1371.47,-14.28654416,24,40,24,10,HIV-1 TAR RNA,"HIV-1 TAR RNA plays an important role in viral replication by binding the transactivating regulatory protein Tat. DPA 54, a triazole linked neomycin dimer, binds with HIV TAR RNA and inhibits the Tat-TAR interaction completely. Hence, viral replication and proliferation inhibited.",21757341,,,,,,"Kumar S, Arya DP. Recognition of HIV TAR RNA by triazole linked neomycin dimers. Bioorg Med Chem Lett. 2011 Aug 15;21(16):4788-92. doi: 10.1016/j.bmcl.2011.06.058. Epub 2011 Jun 21. Erratum in: Bioorg Med Chem Lett. 2012 Feb 15;22(4):1827-9. PMID: 21757341; PMCID: PMC3673547.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21757341/,,,,,,Not Found,No,No,,,,
DBoRL1293,DPA 55,"5-amino-2-(aminomethyl)-6-({4,6-diamino-2-[(5-{[4-(6-{1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]-1H-1,2,3-triazol-4-yl}-3,4-dimethylhex-3-en-1-yl)-1H-1,2,3-triazol-1-yl]methyl}-4-[(3,6-diamino-4,5-dihydroxyoxan-2-yl)oxy]-3-hydroxyoxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)oxane-3,4-diol",CC(CCc1cn(CC2OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C(O)C2OC2OC(N)C(O)C(O)C2N)nn1)=C(C)CCc1cn(CC2OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C(O)C2OC2OC(CN)C(O)C(O)C2N)nn1,"InChI=1/C57H104N18O24/c1-16(3-5-18-12-74(72-70-18)14-27-47(95-54-31(67)40(83)37(80)26(11-60)90-54)43(86)56(91-27)97-49-33(76)20(61)7-22(63)45(49)93-52-29(65)38(81)35(78)24(9-58)88-52)17(2)4-6-19-13-75(73-71-19)15-28-48(96-55-32(68)41(84)42(85)51(69)99-55)44(87)57(92-28)98-50-34(77)21(62)8-23(64)46(50)94-53-30(66)39(82)36(79)25(10-59)89-53/h12-13,20-57,76-87H,3-11,14-15,58-69H2,1-2H3",LMLRDCALUUKTGB-UHFFFAOYNA-N,C57H104N18O24,Not Found,1425.56,-13.27260594,24,40,25,10,HIV-1 TAR RNA,"HIV-1 TAR RNA plays an important role in viral replication by binding the transactivating regulatory protein Tat. DPA 55, a triazole linked neomycin dimer, binds with HIV TAR RNA and inhibits the Tat-TAR interaction completely. Hence, viral replication and proliferation inhibited.",21757341,,,,,,"Kumar S, Arya DP. Recognition of HIV TAR RNA by triazole linked neomycin dimers. Bioorg Med Chem Lett. 2011 Aug 15;21(16):4788-92. doi: 10.1016/j.bmcl.2011.06.058. Epub 2011 Jun 21. Erratum in: Bioorg Med Chem Lett. 2012 Feb 15;22(4):1827-9. PMID: 21757341; PMCID: PMC3673547.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21757341/,,,,,,Not Found,No,No,,,,
DBoRL1294,DPA 56,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-2-[(4-{6-[1-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-3-[(3,6-diamino-4,5-dihydroxyoxan-2-yl)oxy]-4-hydroxyoxolan-2-yl}methyl)-1H-1,2,3-triazol-4-yl]hexyl}-1H-1,2,3-triazol-1-yl)methyl]-4-hydroxyoxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(Cn3cc(CCCCCCc4cn(CC5OC(OC6C(O)C(N)CC(N)C6OC6OC(CN)C(O)C(O)C6N)C(O)C5OC5OC(N)C(O)C(O)C5N)nn4)nn3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C55H102N18O24/c56-9-22-33(76)36(79)27(63)50(86-22)91-43-20(61)7-18(59)31(74)47(43)95-54-41(84)45(93-52-29(65)38(81)35(78)24(11-58)88-52)25(89-54)14-72-12-16(68-70-72)5-3-1-2-4-6-17-13-73(71-69-17)15-26-46(94-53-30(66)39(82)40(83)49(67)97-53)42(85)55(90-26)96-48-32(75)19(60)8-21(62)44(48)92-51-28(64)37(80)34(77)23(10-57)87-51/h12-13,18-55,74-85H,1-11,14-15,56-67H2",WBCVACKBRLFZBW-UHFFFAOYNA-N,C55H102N18O24,Not Found,1399.52,-13.39740683,24,40,26,10,HIV-1 TAR RNA,"HIV-1 TAR RNA plays an important role in viral replication by binding the transactivating regulatory protein Tat. DPA 56, a triazole linked neomycin dimer, binds with HIV TAR RNA and inhibits the Tat-TAR interaction completely. Hence, viral replication and proliferation inhibited.",21757341,,,,,,"Kumar S, Arya DP. Recognition of HIV TAR RNA by triazole linked neomycin dimers. Bioorg Med Chem Lett. 2011 Aug 15;21(16):4788-92. doi: 10.1016/j.bmcl.2011.06.058. Epub 2011 Jun 21. Erratum in: Bioorg Med Chem Lett. 2012 Feb 15;22(4):1827-9. PMID: 21757341; PMCID: PMC3673547.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21757341/,,,,,,Not Found,No,No,,,,
DBoRL1295, DPA 58,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-2-[(4-{[(8-{[1-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-3-[(3,6-diamino-4,5-dihydroxyoxan-2-yl)oxy]-4-hydroxyoxolan-2-yl}methyl)-1H-1,2,3-triazol-4-yl]methoxy}octyl)oxy]methyl}-1H-1,2,3-triazol-1-yl)methyl]-4-hydroxyoxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(Cn3cc(COCCCCCCCCOCc4cn(CC5OC(OC6C(O)C(N)CC(N)C6OC6OC(CN)C(O)C(O)C6N)C(O)C5OC5OC(N)C(O)C(O)C5N)nn4)nn3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C59H110N18O26/c60-11-26-37(80)40(83)31(67)54(92-26)97-47-24(65)9-22(63)35(78)51(47)101-58-45(88)49(99-56-33(69)42(85)39(82)28(13-62)94-56)29(95-58)16-76-14-20(72-74-76)18-90-7-5-3-1-2-4-6-8-91-19-21-15-77(75-73-21)17-30-50(100-57-34(70)43(86)44(87)53(71)103-57)46(89)59(96-30)102-52-36(79)23(64)10-25(66)48(52)98-55-32(68)41(84)38(81)27(12-61)93-55/h14-15,22-59,78-89H,1-13,16-19,60-71H2",XHIJFFDLIMBVLD-UHFFFAOYNA-N,C59H110N18O26,Not Found,1487.63,-13.38806091,24,42,32,10,HIV-1 TAR RNA,"HIV-1 TAR RNA plays an important role in viral replication by binding the transactivating regulatory protein Tat. DPA 58, a triazole linked neomycin dimer, binds with HIV TAR RNA and inhibits the Tat-TAR interaction completely. Hence, viral replication and proliferation inhibited.",21757341,,,,,,"Kumar S, Arya DP. Recognition of HIV TAR RNA by triazole linked neomycin dimers. Bioorg Med Chem Lett. 2011 Aug 15;21(16):4788-92. doi: 10.1016/j.bmcl.2011.06.058. Epub 2011 Jun 21. Erratum in: Bioorg Med Chem Lett. 2012 Feb 15;22(4):1827-9. PMID: 21757341; PMCID: PMC3673547.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21757341/,,,,,,Not Found,No,No,,,,
DBoRL1296,DPA 60,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-2-[(4-{[(12-{[1-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-3-[(3,6-diamino-4,5-dihydroxyoxan-2-yl)oxy]-4-hydroxyoxolan-2-yl}methyl)-1H-1,2,3-triazol-4-yl]methoxy}dodecyl)oxy]methyl}-1H-1,2,3-triazol-1-yl)methyl]-4-hydroxyoxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(Cn3cc(COCCCCCCCCCCCCOCc4cn(CC5OC(OC6C(O)C(N)CC(N)C6OC6OC(CN)C(O)C(O)C6N)C(O)C5OC5OC(N)C(O)C(O)C5N)nn4)nn3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C63H118N18O26/c64-15-30-41(84)44(87)35(71)58(96-30)101-51-28(69)13-26(67)39(82)55(51)105-62-49(92)53(103-60-37(73)46(89)43(86)32(17-66)98-60)33(99-62)20-80-18-24(76-78-80)22-94-11-9-7-5-3-1-2-4-6-8-10-12-95-23-25-19-81(79-77-25)21-34-54(104-61-38(74)47(90)48(91)57(75)107-61)50(93)63(100-34)106-56-40(83)27(68)14-29(70)52(56)102-59-36(72)45(88)42(85)31(16-65)97-59/h18-19,26-63,82-93H,1-17,20-23,64-75H2",LGDJNZZUEDOARP-UHFFFAOYNA-N,C63H118N18O26,Not Found,1543.74,-11.60978625,24,42,36,10,HIV-1 TAR RNA,"HIV-1 TAR RNA plays an important role in viral replication by binding the transactivating regulatory protein Tat. DPA 60, a triazole linked neomycin dimer, binds with HIV TAR RNA and inhibits the Tat-TAR interaction completely. Hence, viral replication and proliferation inhibited.",21757341,,,,,,"Kumar S, Arya DP. Recognition of HIV TAR RNA by triazole linked neomycin dimers. Bioorg Med Chem Lett. 2011 Aug 15;21(16):4788-92. doi: 10.1016/j.bmcl.2011.06.058. Epub 2011 Jun 21. Erratum in: Bioorg Med Chem Lett. 2012 Feb 15;22(4):1827-9. PMID: 21757341; PMCID: PMC3673547.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21757341/,,,,,,Not Found,No,No,,,,
DBoRL1297,DPA 65,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-2-({4-[(3-{[1-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-3-[(3,6-diamino-4,5-dihydroxyoxan-2-yl)oxy]-4-hydroxyoxolan-2-yl}methyl)-1H-1,2,3-triazol-4-yl]methyl}phenyl)methyl]-1H-1,2,3-triazol-1-yl}methyl)-4-hydroxyoxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(Cn3cc(Cc4cccc(Cc5cn(CC6OC(OC7C(O)C(N)CC(N)C7OC7OC(CN)C(O)C(O)C7N)C(O)C6OC6OC(N)C(O)C(O)C6N)nn5)c4)nn3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C57H98N18O24/c58-9-24-35(78)38(81)29(65)52(88-24)93-45-22(63)7-20(61)33(76)49(45)97-56-43(86)47(95-54-31(67)40(83)37(80)26(11-60)90-54)27(91-56)14-74-12-18(70-72-74)5-16-2-1-3-17(4-16)6-19-13-75(73-71-19)15-28-48(96-55-32(68)41(84)42(85)51(69)99-55)44(87)57(92-28)98-50-34(77)21(62)8-23(64)46(50)94-53-30(66)39(82)36(79)25(10-59)89-53/h1-4,12-13,20-57,76-87H,5-11,14-15,58-69H2",CIQBAJSRCZBVIT-UHFFFAOYNA-N,C57H98N18O24,Not Found,1419.51,-13.52845613,24,40,23,11,HIV-1 TAR RNA,"HIV-1 TAR RNA plays an important role in viral replication by binding the transactivating regulatory protein Tat. DPA 65, a triazole linked neomycin dimer, binds with HIV TAR RNA and inhibits the Tat-TAR interaction completely. Hence, viral replication and proliferation inhibited.",21757341,,,,,,"Kumar S, Arya DP. Recognition of HIV TAR RNA by triazole linked neomycin dimers. Bioorg Med Chem Lett. 2011 Aug 15;21(16):4788-92. doi: 10.1016/j.bmcl.2011.06.058. Epub 2011 Jun 21. Erratum in: Bioorg Med Chem Lett. 2012 Feb 15;22(4):1827-9. PMID: 21757341; PMCID: PMC3673547.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21757341/,,,,,,Not Found,No,No,,,,
DBoRL1298,DPA 51,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-2-{[4-({[1-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-3-[(3,6-diamino-4,5-dihydroxyoxan-2-yl)oxy]-4-hydroxyoxolan-2-yl}methyl)-1H-1,2,3-triazol-4-yl]methoxy}methyl)-1H-1,2,3-triazol-1-yl]methyl}-4-hydroxyoxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(COCC4=CN(CC5OC(OC6C(O)C(N)CC(N)C6OC6OC(CN)C(O)C(O)C6N)C(O)C5OC5OC(N)C(O)C(O)C5N)N=N4)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C51H94N18O25/c52-3-18-29(72)32(75)23(59)46(83-18)88-39-16(57)1-14(55)27(70)43(39)92-50-37(80)41(90-48-25(61)34(77)31(74)20(5-54)85-48)21(86-50)8-68-6-12(64-66-68)10-82-11-13-7-69(67-65-13)9-22-42(91-49-26(62)35(78)36(79)45(63)94-49)38(81)51(87-22)93-44-28(71)15(56)2-17(58)40(44)89-47-24(60)33(76)30(73)19(4-53)84-47/h6-7,14-51,70-81H,1-5,8-11,52-63H2",WIVVTRVLVXOPRL-UHFFFAOYNA-N,C51H94N18O25,Not Found,1359.41,-15.69668247,24,41,23,10,HIV-1 TAR RNA,"This molecule is a triazole linked neomycin dimer which help to recognizes of HIV TAR RNA. By, the recognition of HIV TAR RNA, it is possible to create various drug molecules against the HIV TAR RNA. TAR (Trans Activation Response) RNA region, a 59 base pair stem loop structure located at 5?-end of all nascent HIV-1 transcripts interacts with a key regulatory protein, Tat, and necessitates the replication of HIV-1 virus.",21757341,,,,,,"Kumar S, Arya DP. Recognition of HIV TAR RNA by triazole linked neomycin dimers. Bioorg Med Chem Lett. 2011 Aug 15;21(16):4788-92. doi: 10.1016/j.bmcl.2011.06.058. Epub 2011 Jun 21. Erratum in: Bioorg Med Chem Lett. 2012 Feb 15;22(4):1827-9. PMID: 21757341; PMCID: PMC3673547.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21757341/,,,,,,Not Found,No,No,,,,
DBoRL1299,DPA 52,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-2-[(4-{3-[1-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-3-[(3,6-diamino-4,5-dihydroxyoxan-2-yl)oxy]-4-hydroxyoxolan-2-yl}methyl)-1H-1,2,3-triazol-4-yl]propyl}-1H-1,2,3-triazol-1-yl)methyl]-4-hydroxyoxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CCCC4=CN(CC5OC(OC6C(O)C(N)CC(N)C6OC6OC(CN)C(O)C(O)C6N)C(O)C5OC5OC(N)C(O)C(O)C5N)N=N4)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C52H96N18O24/c53-6-19-30(73)33(76)24(60)47(83-19)88-40-17(58)4-15(56)28(71)44(40)92-51-38(81)42(90-49-26(62)35(78)32(75)21(8-55)85-49)22(86-51)11-69-9-13(65-67-69)2-1-3-14-10-70(68-66-14)12-23-43(91-50-27(63)36(79)37(80)46(64)94-50)39(82)52(87-23)93-45-29(72)16(57)5-18(59)41(45)89-48-25(61)34(77)31(74)20(7-54)84-48/h9-10,15-52,71-82H,1-8,11-12,53-64H2",VBRJBDHZTYIINW-UHFFFAOYNA-N,C52H96N18O24,Not Found,1357.44,-14.73111283,24,40,23,10,HIV-1 TAR RNA,"This molecule is a triazole linked neomycin dimer which help to recognizes of HIV TAR RNA. By, the recognition of HIV TAR RNA, it is possible to create various drug molecules against the HIV TAR RNA. TAR (Trans Activation Response) RNA region, a 59 base pair stem loop structure located at 5?-end of all nascent HIV-1 transcripts interacts with a key regulatory protein, Tat, and necessitates the replication of HIV-1 virus.",21757341,,,,,,"Kumar S, Arya DP. Recognition of HIV TAR RNA by triazole linked neomycin dimers. Bioorg Med Chem Lett. 2011 Aug 15;21(16):4788-92. doi: 10.1016/j.bmcl.2011.06.058. Epub 2011 Jun 21. Erratum in: Bioorg Med Chem Lett. 2012 Feb 15;22(4):1827-9. PMID: 21757341; PMCID: PMC3673547.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21757341/,,,,,,Not Found,No,No,,,,
DBoRL1300,DPA 65,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-2-({4-[(3-{[1-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-3-[(3,6-diamino-4,5-dihydroxyoxan-2-yl)oxy]-4-hydroxyoxolan-2-yl}methyl)-1H-1,2,3-triazol-4-yl]methyl}phenyl)methyl]-1H-1,2,3-triazol-1-yl}methyl)-4-hydroxyoxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CC4=CC(CC5=CN(CC6OC(OC7C(O)C(N)CC(N)C7OC7OC(CN)C(O)C(O)C7N)C(O)C6OC6OC(N)C(O)C(O)C6N)N=N5)=CC=C4)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C57H98N18O24/c58-9-24-35(78)38(81)29(65)52(88-24)93-45-22(63)7-20(61)33(76)49(45)97-56-43(86)47(95-54-31(67)40(83)37(80)26(11-60)90-54)27(91-56)14-74-12-18(70-72-74)5-16-2-1-3-17(4-16)6-19-13-75(73-71-19)15-28-48(96-55-32(68)41(84)42(85)51(69)99-55)44(87)57(92-28)98-50-34(77)21(62)8-23(64)46(50)94-53-30(66)39(82)36(79)25(10-59)89-53/h1-4,12-13,20-57,76-87H,5-11,14-15,58-69H2",CIQBAJSRCZBVIT-UHFFFAOYNA-N,C57H98N18O24,Not Found,1419.51,-13.52845613,24,40,23,11,HIV-1 TAR RNA,"This molecule is a triazole linked neomycin dimer which help to recognizes of HIV TAR RNA. By, the recognition of HIV TAR RNA, it is possible to create various drug molecules against the HIV TAR RNA. TAR (Trans Activation Response) RNA region, a 59 base pair stem loop structure located at 5?-end of all nascent HIV-1 transcripts interacts with a key regulatory protein, Tat, and necessitates the replication of HIV-1 virus.",21757341,,,,,,"Kumar S, Arya DP. Recognition of HIV TAR RNA by triazole linked neomycin dimers. Bioorg Med Chem Lett. 2011 Aug 15;21(16):4788-92. doi: 10.1016/j.bmcl.2011.06.058. Epub 2011 Jun 21. Erratum in: Bioorg Med Chem Lett. 2012 Feb 15;22(4):1827-9. PMID: 21757341; PMCID: PMC3673547.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21757341/,,,,,,Not Found,No,No,,,,
DBoRL1301,DPA 53,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-2-({4-[(4-{[1-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-3-[(3,6-diamino-4,5-dihydroxyoxan-2-yl)oxy]-4-hydroxyoxolan-2-yl}methyl)-1H-1,2,3-triazol-4-yl]methyl}phenyl)methyl]-1H-1,2,3-triazol-1-yl}methyl)-4-hydroxyoxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CC4=CC=C(CC5=CN(CC6OC(OC7C(O)C(N)CC(N)C7OC7OC(CN)C(O)C(O)C7N)C(O)C6OC6OC(N)C(O)C(O)C6N)N=N5)C=C4)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C57H98N18O24/c58-9-24-35(78)38(81)29(65)52(88-24)93-45-22(63)7-20(61)33(76)49(45)97-56-43(86)47(95-54-31(67)40(83)37(80)26(11-60)90-54)27(91-56)14-74-12-18(70-72-74)5-16-1-3-17(4-2-16)6-19-13-75(73-71-19)15-28-48(96-55-32(68)41(84)42(85)51(69)99-55)44(87)57(92-28)98-50-34(77)21(62)8-23(64)46(50)94-53-30(66)39(82)36(79)25(10-59)89-53/h1-4,12-13,20-57,76-87H,5-11,14-15,58-69H2",FFCBTJQMMFJKHX-UHFFFAOYNA-N,C57H98N18O24,Not Found,1419.51,-13.52845613,24,40,23,11,HIV-1 TAR RNA,"This molecule is a triazole linked neomycin dimer which help to recognizes of HIV TAR RNA. By, the recognition of HIV TAR RNA, it is possible to create various drug molecules against the HIV TAR RNA. TAR (Trans Activation Response) RNA region, a 59 base pair stem loop structure located at 5?-end of all nascent HIV-1 transcripts interacts with a key regulatory protein, Tat, and necessitates the replication of HIV-1 virus.",21757341,,,,,,"Kumar S, Arya DP. Recognition of HIV TAR RNA by triazole linked neomycin dimers. Bioorg Med Chem Lett. 2011 Aug 15;21(16):4788-92. doi: 10.1016/j.bmcl.2011.06.058. Epub 2011 Jun 21. Erratum in: Bioorg Med Chem Lett. 2012 Feb 15;22(4):1827-9. PMID: 21757341; PMCID: PMC3673547.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21757341/,,,,,,Not Found,No,No,,,,
DBoRL1302,DPA 54,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-2-[(4-{4-[1-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-3-[(3,6-diamino-4,5-dihydroxyoxan-2-yl)oxy]-4-hydroxyoxolan-2-yl}methyl)-1H-1,2,3-triazol-4-yl]butyl}-1H-1,2,3-triazol-1-yl)methyl]-4-hydroxyoxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CCCCC4=CN(CC5OC(OC6C(O)C(N)CC(N)C6OC6OC(CN)C(O)C(O)C6N)C(O)C5OC5OC(N)C(O)C(O)C5N)N=N4)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C53H98N18O24/c54-7-20-31(74)34(77)25(61)48(84-20)89-41-18(59)5-16(57)29(72)45(41)93-52-39(82)43(91-50-27(63)36(79)33(76)22(9-56)86-50)23(87-52)12-70-10-14(66-68-70)3-1-2-4-15-11-71(69-67-15)13-24-44(92-51-28(64)37(80)38(81)47(65)95-51)40(83)53(88-24)94-46-30(73)17(58)6-19(60)42(46)90-49-26(62)35(78)32(75)21(8-55)85-49/h10-11,16-53,72-83H,1-9,12-13,54-65H2",CUTQDOPMGNQMFW-UHFFFAOYNA-N,C53H98N18O24,Not Found,1371.47,-14.28654416,24,40,24,10,HIV-1 TAR RNA,"This molecule is a triazole linked neomycin dimer which help to recognizes of HIV TAR RNA. By, the recognition of HIV TAR RNA, it is possible to create various drug molecules against the HIV TAR RNA. TAR (Trans Activation Response) RNA region, a 59 base pair stem loop structure located at 5?-end of all nascent HIV-1 transcripts interacts with a key regulatory protein, Tat, and necessitates the replication of HIV-1 virus.",21757341,,,,,,"Kumar S, Arya DP. Recognition of HIV TAR RNA by triazole linked neomycin dimers. Bioorg Med Chem Lett. 2011 Aug 15;21(16):4788-92. doi: 10.1016/j.bmcl.2011.06.058. Epub 2011 Jun 21. Erratum in: Bioorg Med Chem Lett. 2012 Feb 15;22(4):1827-9. PMID: 21757341; PMCID: PMC3673547.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21757341/,,,,,,Not Found,No,No,,,,
DBoRL1303,DPA 55,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{[5-({4-[(3E)-6-{1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]-1H-1,2,3-triazol-4-yl}-3,4-dimethylhex-3-en-1-yl]-1H-1,2,3-triazol-1-yl}methyl)-4-[(3,6-diamino-4,5-dihydroxyoxan-2-yl)oxy]-3-hydroxyoxolan-2-yl]oxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",C\C(CCC1=CN(CC2OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C(O)C2OC2OC(N)C(O)C(O)C2N)N=N1)=C(\C)CCC1=CN(CC2OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C(O)C2OC2OC(CN)C(O)C(O)C2N)N=N1,"InChI=1/C57H104N18O24/c1-16(3-5-18-12-74(72-70-18)14-27-47(95-54-31(67)40(83)37(80)26(11-60)90-54)43(86)56(91-27)97-49-33(76)20(61)7-22(63)45(49)93-52-29(65)38(81)35(78)24(9-58)88-52)17(2)4-6-19-13-75(73-71-19)15-28-48(96-55-32(68)41(84)42(85)51(69)99-55)44(87)57(92-28)98-50-34(77)21(62)8-23(64)46(50)94-53-30(66)39(82)36(79)25(10-59)89-53/h12-13,20-57,76-87H,3-11,14-15,58-69H2,1-2H3/b17-16+",LMLRDCALUUKTGB-WUKNDPDINA-N,C57H104N18O24,Not Found,1425.56,-13.27260594,24,40,25,10,HIV-1 TAR RNA,"This molecule is a triazole linked neomycin dimer which help to recognizes of HIV TAR RNA. By, the recognition of HIV TAR RNA, it is possible to create various drug molecules against the HIV TAR RNA. TAR (Trans Activation Response) RNA region, a 59 base pair stem loop structure located at 5?-end of all nascent HIV-1 transcripts interacts with a key regulatory protein, Tat, and necessitates the replication of HIV-1 virus.",21757341,,,,,,"Kumar S, Arya DP. Recognition of HIV TAR RNA by triazole linked neomycin dimers. Bioorg Med Chem Lett. 2011 Aug 15;21(16):4788-92. doi: 10.1016/j.bmcl.2011.06.058. Epub 2011 Jun 21. Erratum in: Bioorg Med Chem Lett. 2012 Feb 15;22(4):1827-9. PMID: 21757341; PMCID: PMC3673547.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21757341/,,,,,,Not Found,No,No,,,,
DBoRL1304,DPA 56,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-2-[(4-{6-[1-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-3-[(3,6-diamino-4,5-dihydroxyoxan-2-yl)oxy]-4-hydroxyoxolan-2-yl}methyl)-1H-1,2,3-triazol-4-yl]hexyl}-1H-1,2,3-triazol-1-yl)methyl]-4-hydroxyoxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(CCCCCCC4=CN(CC5OC(OC6C(O)C(N)CC(N)C6OC6OC(CN)C(O)C(O)C6N)C(O)C5OC5OC(N)C(O)C(O)C5N)N=N4)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C55H102N18O24/c56-9-22-33(76)36(79)27(63)50(86-22)91-43-20(61)7-18(59)31(74)47(43)95-54-41(84)45(93-52-29(65)38(81)35(78)24(11-58)88-52)25(89-54)14-72-12-16(68-70-72)5-3-1-2-4-6-17-13-73(71-69-17)15-26-46(94-53-30(66)39(82)40(83)49(67)97-53)42(85)55(90-26)96-48-32(75)19(60)8-21(62)44(48)92-51-28(64)37(80)34(77)23(10-57)87-51/h12-13,18-55,74-85H,1-11,14-15,56-67H2",WBCVACKBRLFZBW-UHFFFAOYNA-N,C55H102N18O24,Not Found,1399.52,-13.39740683,24,40,26,10,HIV-1 TAR RNA,"This molecule is a triazole linked neomycin dimer which help to recognizes of HIV TAR RNA. By, the recognition of HIV TAR RNA, it is possible to create various drug molecules against the HIV TAR RNA. TAR (Trans Activation Response) RNA region, a 59 base pair stem loop structure located at 5?-end of all nascent HIV-1 transcripts interacts with a key regulatory protein, Tat, and necessitates the replication of HIV-1 virus.",21757341,,,,,,"Kumar S, Arya DP. Recognition of HIV TAR RNA by triazole linked neomycin dimers. Bioorg Med Chem Lett. 2011 Aug 15;21(16):4788-92. doi: 10.1016/j.bmcl.2011.06.058. Epub 2011 Jun 21. Erratum in: Bioorg Med Chem Lett. 2012 Feb 15;22(4):1827-9. PMID: 21757341; PMCID: PMC3673547.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21757341/,,,,,,Not Found,No,No,,,,
DBoRL1305,DPA 58,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-2-[(4-{[(8-{[1-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-3-[(3,6-diamino-4,5-dihydroxyoxan-2-yl)oxy]-4-hydroxyoxolan-2-yl}methyl)-1H-1,2,3-triazol-4-yl]methoxy}octyl)oxy]methyl}-1H-1,2,3-triazol-1-yl)methyl]-4-hydroxyoxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(COCCCCCCCCOCC4=CN(CC5OC(OC6C(O)C(N)CC(N)C6OC6OC(CN)C(O)C(O)C6N)C(O)C5OC5OC(N)C(O)C(O)C5N)N=N4)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C59H110N18O26/c60-11-26-37(80)40(83)31(67)54(92-26)97-47-24(65)9-22(63)35(78)51(47)101-58-45(88)49(99-56-33(69)42(85)39(82)28(13-62)94-56)29(95-58)16-76-14-20(72-74-76)18-90-7-5-3-1-2-4-6-8-91-19-21-15-77(75-73-21)17-30-50(100-57-34(70)43(86)44(87)53(71)103-57)46(89)59(96-30)102-52-36(79)23(64)10-25(66)48(52)98-55-32(68)41(84)38(81)27(12-61)93-55/h14-15,22-59,78-89H,1-13,16-19,60-71H2",XHIJFFDLIMBVLD-UHFFFAOYNA-N,C59H110N18O26,Not Found,1487.63,-13.38806091,24,42,32,10,HIV-1 TAR RNA,"This molecule is a triazole linked neomycin dimer which help to recognizes of HIV TAR RNA. By, the recognition of HIV TAR RNA, it is possible to create various drug molecules against the HIV TAR RNA. TAR (Trans Activation Response) RNA region, a 59 base pair stem loop structure located at 5?-end of all nascent HIV-1 transcripts interacts with a key regulatory protein, Tat, and necessitates the replication of HIV-1 virus.",21757341,,,,,,"Kumar S, Arya DP. Recognition of HIV TAR RNA by triazole linked neomycin dimers. Bioorg Med Chem Lett. 2011 Aug 15;21(16):4788-92. doi: 10.1016/j.bmcl.2011.06.058. Epub 2011 Jun 21. Erratum in: Bioorg Med Chem Lett. 2012 Feb 15;22(4):1827-9. PMID: 21757341; PMCID: PMC3673547.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21757341/,,,,,,Not Found,No,No,,,,
DBoRL1306,DPA 60,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-2-[(4-{[(12-{[1-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-3-[(3,6-diamino-4,5-dihydroxyoxan-2-yl)oxy]-4-hydroxyoxolan-2-yl}methyl)-1H-1,2,3-triazol-4-yl]methoxy}dodecyl)oxy]methyl}-1H-1,2,3-triazol-1-yl)methyl]-4-hydroxyoxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CN3C=C(COCCCCCCCCCCCCOCC4=CN(CC5OC(OC6C(O)C(N)CC(N)C6OC6OC(CN)C(O)C(O)C6N)C(O)C5OC5OC(N)C(O)C(O)C5N)N=N4)N=N3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C63H118N18O26/c64-15-30-41(84)44(87)35(71)58(96-30)101-51-28(69)13-26(67)39(82)55(51)105-62-49(92)53(103-60-37(73)46(89)43(86)32(17-66)98-60)33(99-62)20-80-18-24(76-78-80)22-94-11-9-7-5-3-1-2-4-6-8-10-12-95-23-25-19-81(79-77-25)21-34-54(104-61-38(74)47(90)48(91)57(75)107-61)50(93)63(100-34)106-56-40(83)27(68)14-29(70)52(56)102-59-36(72)45(88)42(85)31(16-65)97-59/h18-19,26-63,82-93H,1-17,20-23,64-75H2",LGDJNZZUEDOARP-UHFFFAOYNA-N,C63H118N18O26,Not Found,1543.74,-11.60978625,24,42,36,10,HIV-1 TAR RNA,"This molecule is a triazole linked neomycin dimer which help to recognizes of HIV TAR RNA. By, the recognition of HIV TAR RNA, it is possible to create various drug molecules against the HIV TAR RNA. TAR (Trans Activation Response) RNA region, a 59 base pair stem loop structure located at 5?-end of all nascent HIV-1 transcripts interacts with a key regulatory protein, Tat, and necessitates the replication of HIV-1 virus.",21757341,,,,,,"Kumar S, Arya DP. Recognition of HIV TAR RNA by triazole linked neomycin dimers. Bioorg Med Chem Lett. 2011 Aug 15;21(16):4788-92. doi: 10.1016/j.bmcl.2011.06.058. Epub 2011 Jun 21. Erratum in: Bioorg Med Chem Lett. 2012 Feb 15;22(4):1827-9. PMID: 21757341; PMCID: PMC3673547.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21757341/,,,,,,Not Found,No,No,,,,
DBoRL1307,4-Methoxy-2-naphthylamine,4-methoxynaphthalen-2-amine,COc1cc(N)cc2ccccc12,"InChI=1S/C11H11NO/c1-13-11-7-9(12)6-8-4-2-3-5-10(8)11/h2-7H,12H2,1H3",SFKZPTYRENGBTJ-UHFFFAOYSA-N,C11H11NO,2764-95-6,173.215,1.976125353,1,2,1,2,HIV TAR RNA,"HIV-1 TAR/Tat interaction is important for HIV replication & proliferation. Hence, the HIV-1 TAR/Tat interaction is a potentially valuable target for treating HIV infection. 4-Methoxy-2-naphthylamine, a small molecule probe, induces a conformation in HIV TAR RNA. Hence HIV TAR RNA become unable to interact with Tat protein which results inhibition of virus replication & proliferation. ",21763501,,,,,,"Davidson A, Begley DW, Lau C, Varani G. A small-molecule probe induces a conformation in HIV TAR RNA capable of binding drug-like fragments. J Mol Biol. 2011 Jul 29;410(5):984-96. doi: 10.1016/j.jmb.2011.03.039. PMID: 21763501; PMCID: PMC3140652.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21763501/,,,,,,151041,No,No,,,,
DBoRL1308,9-Amino-n-[2-(dimethylamino)ethyl]-4-acridinecarboxamide,9-amino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide,CN(C)CCNC(=O)c1cccc2c(N)c3ccccc3nc12,"InChI=1S/C18H20N4O/c1-22(2)11-10-20-18(23)14-8-5-7-13-16(19)12-6-3-4-9-15(12)21-17(13)14/h3-9H,10-11H2,1-2H3,(H2,19,21)(H,20,23)",YLGMVQJPGUHTRO-UHFFFAOYSA-N,C18H20N4O,"89459-43-8,95032-39-6",308.385,1.770262482,2,4,4,3,(CCUG)6,9-Amino-n-[2-(dimethylamino)ethyl]-4-acridinecarboxamide selectively binds with CCUG repeats and  inhibits MBNL1?CCUG interaction that cause myotonic dystrophy type 2 (DM2). This way the compound act as a potential therapeutic agent for DM2.,21768123,,,,,,"Wong CH, Fu Y, Ramisetty SR, Baranger AM, Zimmerman SC. Selective inhibition of MBNL1-CCUG interaction by small molecules toward potential therapeutic agents for myotonic dystrophy type 2 (DM2). Nucleic Acids Res. 2011 Nov 1;39(20):8881-90. doi: 10.1093/nar/gkr415. Epub 2011 Jul 18. PMID: 21768123; PMCID: PMC3203617.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21768123/,,,,,,128962,No,No,,,,
DBoRL1309,acridine-4-carboxamide-derivative,"N-[2-(dimethylamino)ethyl]-7-methoxy-9-{[4-(2,4,6-triaminopyrimidin-5-yl)butyl]amino}acridine-4-carboxamide",COc1ccc2nc3c(C(=O)NCCN(C)C)cccc3c(NCCCCc3c(N)nc(N)nc3N)c2c1,"InChI=1S/C27H35N9O2/c1-36(2)14-13-32-26(37)18-9-6-8-17-22(20-15-16(38-3)10-11-21(20)33-23(17)18)31-12-5-4-7-19-24(28)34-27(30)35-25(19)29/h6,8-11,15H,4-5,7,12-14H2,1-3H3,(H,31,33)(H,32,37)(H6,28,29,30,34,35)",OPCGPSQRBCPOLC-UHFFFAOYSA-N,C27H35N9O2,Not Found,517.638,2.27397981,5,10,11,4,DM1-RNA-MBNL1,Acridine-4-carboxamide-derivative selectively inhibits MBNL1?CCUG interaction that cause myotonic dystrophy type 2 (DM2). This way the compound act as a potential therapeutic agent for DM2.,21768123,,,,,,"Wong CH, Fu Y, Ramisetty SR, Baranger AM, Zimmerman SC. Selective inhibition of MBNL1-CCUG interaction by small molecules toward potential therapeutic agents for myotonic dystrophy type 2 (DM2). Nucleic Acids Res. 2011 Nov 1;39(20):8881-90. doi: 10.1093/nar/gkr415. Epub 2011 Jul 18. PMID: 21768123; PMCID: PMC3203617.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21768123/,,,,,,Not Found,No,No,,,,
DBoRL1310,MBNL CCUG ligand 1,"N2-{4-[(2-chloro-6-methoxyacridin-9-yl)amino]butyl}-1,3,5-triazine-2,4,6-triamine",COc1ccc2c(NCCCCNc3nc(N)nc(N)n3)c3cc(Cl)ccc3nc2c1,"InChI=1S/C21H23ClN8O/c1-31-13-5-6-14-17(11-13)27-16-7-4-12(22)10-15(16)18(14)25-8-2-3-9-26-21-29-19(23)28-20(24)30-21/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,27)(H5,23,24,26,28,29,30)",VOTWTIBIIPKRAU-UHFFFAOYSA-N,C21H23ClN8O,Not Found,438.92,3.538192861,4,9,8,4,(CUG)4,MBNL CCUG ligand 1 binds with CCUG repeats and inhibits MBNL1?CCUG interaction that cause myotonic dystrophy type 2 (DM2). This way the compound act as a potential therapeutic agent for DM2.,21768123,,,,,,"Wong CH, Fu Y, Ramisetty SR, Baranger AM, Zimmerman SC. Selective inhibition of MBNL1-CCUG interaction by small molecules toward potential therapeutic agents for myotonic dystrophy type 2 (DM2). Nucleic Acids Res. 2011 Nov 1;39(20):8881-90. doi: 10.1093/nar/gkr415. Epub 2011 Jul 18. PMID: 21768123; PMCID: PMC3203617.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21768123/,,,,,,Not Found,No,No,,,,
DBoRL1311,MBNL CCUG ligand 2,"N',N'-dimethyl-9-{[4-(2,4,6-triaminopyrimidin-5-yl)butyl]amino}acridine-4-carbohydrazide",CN(C)NC(=O)c1cccc2c(NCCCCc3c(N)nc(N)nc3N)c3ccccc3nc12,"InChI=1S/C24H29N9O/c1-33(2)32-23(34)16-11-7-10-15-19(14-8-3-4-12-18(14)29-20(15)16)28-13-6-5-9-17-21(25)30-24(27)31-22(17)26/h3-4,7-8,10-12H,5-6,9,13H2,1-2H3,(H,28,29)(H,32,34)(H6,25,26,27,30,31)",IXGGEBMDGLNQJZ-UHFFFAOYSA-N,C24H29N9O,Not Found,459.558,2.058624945,5,9,8,4,(CCUG)6,MBNL CCUG ligand 2 binds with CCUG repeats and inhibits Muscleblind-like 1 (MBNL1)?CCUG interaction that cause myotonic dystrophy type 2 (DM2). This way the compound act as a potential therapeutic agent for DM2.,21768123,,,,,,"Wong CH, Fu Y, Ramisetty SR, Baranger AM, Zimmerman SC. Selective inhibition of MBNL1-CCUG interaction by small molecules toward potential therapeutic agents for myotonic dystrophy type 2 (DM2). Nucleic Acids Res. 2011 Nov 1;39(20):8881-90. doi: 10.1093/nar/gkr415. Epub 2011 Jul 18. PMID: 21768123; PMCID: PMC3203617.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21768123/,,,,,,Not Found,No,No,,,,
DBoRL1312,"pyrimidine-2,4,6-triamine","5-{4-[(6-chloro-2-methoxyacridin-9-yl)amino]butyl}pyrimidine-2,4,6-triamine",COc1ccc2nc3cc(Cl)ccc3c(NCCCCc3c(N)nc(N)nc3N)c2c1,"InChI=1S/C22H24ClN7O/c1-31-13-6-8-17-16(11-13)19(14-7-5-12(23)10-18(14)28-17)27-9-3-2-4-15-20(24)29-22(26)30-21(15)25/h5-8,10-11H,2-4,9H2,1H3,(H,27,28)(H6,24,25,26,29,30)",QUUNAOSWTWOHBW-UHFFFAOYSA-N,C22H24ClN7O,Not Found,437.93,3.785063604,4,8,7,4,DM1-RNA-MBNL1,"Pyrimidine-2,4,6-triamine selectively inhibits MBNL1?CCUG interaction that cause myotonic dystrophy type 2 (DM2). This way the compound act as a potential therapeutic agent for DM2.",21768123,,,,,,"Wong CH, Fu Y, Ramisetty SR, Baranger AM, Zimmerman SC. Selective inhibition of MBNL1-CCUG interaction by small molecules toward potential therapeutic agents for myotonic dystrophy type 2 (DM2). Nucleic Acids Res. 2011 Nov 1;39(20):8881-90. doi: 10.1093/nar/gkr415. Epub 2011 Jul 18. PMID: 21768123; PMCID: PMC3203617.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21768123/,,,,,,Not Found,No,No,,,,
DBoRL1313,Triaminopyrimidine based ligand 3,9-amino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide,[H]N(CCN(C)C)C(=O)C1=CC=CC2=C1N=C1C=CC=CC1=C2N,"InChI=1S/C18H20N4O/c1-22(2)11-10-20-18(23)14-8-5-7-13-16(19)12-6-3-4-9-15(12)21-17(13)14/h3-9H,10-11H2,1-2H3,(H2,19,21)(H,20,23)",YLGMVQJPGUHTRO-UHFFFAOYSA-N,C18H20N4O,"89459-43-8,95032-39-6",308.385,1.770262482,2,4,4,3,(CCUG)6,"The compound selectively inhibits MBNL1?CCUG interaction, which occurs during myotonic dystrophy type 2 (DM2). The compound exhibits both strong inhibition of the MBNL1?CCUG interaction and high selectivity for CCUG repeats over other RNA targets. So, the compound is a potential lead agent for the treatment of DM2. ",21768123,,,,,,"Wong CH, Fu Y, Ramisetty SR, Baranger AM, Zimmerman SC. Selective inhibition of MBNL1-CCUG interaction by small molecules toward potential therapeutic agents for myotonic dystrophy type 2 (DM2). Nucleic Acids Res. 2011 Nov 1;39(20):8881-90. doi: 10.1093/nar/gkr415. Epub 2011 Jul 18. PMID: 21768123; PMCID: PMC3203617.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21768123/,,,,,,128962,No,No,,,,
DBoRL1314,Triaminopyrimidine based ligand 3,9-amino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide,[H]N(CCN(C)C)C(=O)C1=CC=CC2=C1N=C1C=CC=CC1=C2N,"InChI=1S/C18H20N4O/c1-22(2)11-10-20-18(23)14-8-5-7-13-16(19)12-6-3-4-9-15(12)21-17(13)14/h3-9H,10-11H2,1-2H3,(H2,19,21)(H,20,23)",YLGMVQJPGUHTRO-UHFFFAOYSA-N,C18H20N4O,"89459-43-8,95032-39-6",308.385,1.770262482,2,4,4,3,RNA A,"The compound selectively inhibits MBNL1?CCUG interaction, which occurs during myotonic dystrophy type 2 (DM2). The compound exhibits both strong inhibition of the MBNL1?CCUG interaction and high selectivity for CCUG repeats over other RNA targets. So, the compound is a potential lead agent for the treatment of DM2. ",21768123,,,,,,"Wong CH, Fu Y, Ramisetty SR, Baranger AM, Zimmerman SC. Selective inhibition of MBNL1-CCUG interaction by small molecules toward potential therapeutic agents for myotonic dystrophy type 2 (DM2). Nucleic Acids Res. 2011 Nov 1;39(20):8881-90. doi: 10.1093/nar/gkr415. Epub 2011 Jul 18. PMID: 21768123; PMCID: PMC3203617.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21768123/,,,,,,128962,No,No,,,,
DBoRL1315,Triaminopyrimidine based ligand 3,9-amino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide,[H]N(CCN(C)C)C(=O)C1=CC=CC2=C1N=C1C=CC=CC1=C2N,"InChI=1S/C18H20N4O/c1-22(2)11-10-20-18(23)14-8-5-7-13-16(19)12-6-3-4-9-15(12)21-17(13)14/h3-9H,10-11H2,1-2H3,(H2,19,21)(H,20,23)",YLGMVQJPGUHTRO-UHFFFAOYSA-N,C18H20N4O,"89459-43-8,95032-39-6",308.385,1.770262482,2,4,4,3,RNA B,"The compound selectively inhibits MBNL1?CCUG interaction, which occurs during myotonic dystrophy type 2 (DM2). The compound exhibits both strong inhibition of the MBNL1?CCUG interaction and high selectivity for CCUG repeats over other RNA targets. So, the compound is a potential lead agent for the treatment of DM2. ",21768123,,,,,,"Wong CH, Fu Y, Ramisetty SR, Baranger AM, Zimmerman SC. Selective inhibition of MBNL1-CCUG interaction by small molecules toward potential therapeutic agents for myotonic dystrophy type 2 (DM2). Nucleic Acids Res. 2011 Nov 1;39(20):8881-90. doi: 10.1093/nar/gkr415. Epub 2011 Jul 18. PMID: 21768123; PMCID: PMC3203617.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21768123/,,,,,,128962,No,No,,,,
DBoRL1316,Triaminopyrimidine based ligand 3,9-amino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide,[H]N(CCN(C)C)C(=O)C1=CC=CC2=C1N=C1C=CC=CC1=C2N,"InChI=1S/C18H20N4O/c1-22(2)11-10-20-18(23)14-8-5-7-13-16(19)12-6-3-4-9-15(12)21-17(13)14/h3-9H,10-11H2,1-2H3,(H2,19,21)(H,20,23)",YLGMVQJPGUHTRO-UHFFFAOYSA-N,C18H20N4O,"89459-43-8,95032-39-6",308.385,1.770262482,2,4,4,3,RNA C,"The compound selectively inhibits MBNL1?CCUG interaction, which occurs during myotonic dystrophy type 2 (DM2). The compound exhibits both strong inhibition of the MBNL1?CCUG interaction and high selectivity for CCUG repeats over other RNA targets. So, the compound is a potential lead agent for the treatment of DM2. ",21768123,,,,,,"Wong CH, Fu Y, Ramisetty SR, Baranger AM, Zimmerman SC. Selective inhibition of MBNL1-CCUG interaction by small molecules toward potential therapeutic agents for myotonic dystrophy type 2 (DM2). Nucleic Acids Res. 2011 Nov 1;39(20):8881-90. doi: 10.1093/nar/gkr415. Epub 2011 Jul 18. PMID: 21768123; PMCID: PMC3203617.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21768123/,,,,,,128962,No,No,,,,
DBoRL1317,Triaminopyrimidine based ligand 3,9-amino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide,[H]N(CCN(C)C)C(=O)C1=CC=CC2=C1N=C1C=CC=CC1=C2N,"InChI=1S/C18H20N4O/c1-22(2)11-10-20-18(23)14-8-5-7-13-16(19)12-6-3-4-9-15(12)21-17(13)14/h3-9H,10-11H2,1-2H3,(H2,19,21)(H,20,23)",YLGMVQJPGUHTRO-UHFFFAOYSA-N,C18H20N4O,"89459-43-8,95032-39-6",308.385,1.770262482,2,4,4,3,RNA D,"The compound selectively inhibits MBNL1?CCUG interaction, which occurs during myotonic dystrophy type 2 (DM2). The compound exhibits both strong inhibition of the MBNL1?CCUG interaction and high selectivity for CCUG repeats over other RNA targets. So, the compound is a potential lead agent for the treatment of DM2. ",21768123,,,,,,"Wong CH, Fu Y, Ramisetty SR, Baranger AM, Zimmerman SC. Selective inhibition of MBNL1-CCUG interaction by small molecules toward potential therapeutic agents for myotonic dystrophy type 2 (DM2). Nucleic Acids Res. 2011 Nov 1;39(20):8881-90. doi: 10.1093/nar/gkr415. Epub 2011 Jul 18. PMID: 21768123; PMCID: PMC3203617.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21768123/,,,,,,128962,No,No,,,,
DBoRL1318,Triaminopyrimidine based ligand 3,9-amino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide,[H]N(CCN(C)C)C(=O)C1=CC=CC2=C1N=C1C=CC=CC1=C2N,"InChI=1S/C18H20N4O/c1-22(2)11-10-20-18(23)14-8-5-7-13-16(19)12-6-3-4-9-15(12)21-17(13)14/h3-9H,10-11H2,1-2H3,(H2,19,21)(H,20,23)",YLGMVQJPGUHTRO-UHFFFAOYSA-N,C18H20N4O,"89459-43-8,95032-39-6",308.385,1.770262482,2,4,4,3,RNA E,"The compound selectively inhibits MBNL1?CCUG interaction, which occurs during myotonic dystrophy type 2 (DM2). The compound exhibits both strong inhibition of the MBNL1?CCUG interaction and high selectivity for CCUG repeats over other RNA targets. So, the compound is a potential lead agent for the treatment of DM2. ",21768123,,,,,,"Wong CH, Fu Y, Ramisetty SR, Baranger AM, Zimmerman SC. Selective inhibition of MBNL1-CCUG interaction by small molecules toward potential therapeutic agents for myotonic dystrophy type 2 (DM2). Nucleic Acids Res. 2011 Nov 1;39(20):8881-90. doi: 10.1093/nar/gkr415. Epub 2011 Jul 18. PMID: 21768123; PMCID: PMC3203617.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21768123/,,,,,,128962,No,No,,,,
DBoRL1319,Triaminopyrimidine based ligand 3,9-amino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide,[H]N(CCN(C)C)C(=O)C1=CC=CC2=C1N=C1C=CC=CC1=C2N,"InChI=1S/C18H20N4O/c1-22(2)11-10-20-18(23)14-8-5-7-13-16(19)12-6-3-4-9-15(12)21-17(13)14/h3-9H,10-11H2,1-2H3,(H2,19,21)(H,20,23)",YLGMVQJPGUHTRO-UHFFFAOYSA-N,C18H20N4O,"89459-43-8,95032-39-6",308.385,1.770262482,2,4,4,3,RNA F,"The compound selectively inhibits MBNL1?CCUG interaction, which occurs during myotonic dystrophy type 2 (DM2). The compound exhibits both strong inhibition of the MBNL1?CCUG interaction and high selectivity for CCUG repeats over other RNA targets. So, the compound is a potential lead agent for the treatment of DM2. ",21768123,,,,,,"Wong CH, Fu Y, Ramisetty SR, Baranger AM, Zimmerman SC. Selective inhibition of MBNL1-CCUG interaction by small molecules toward potential therapeutic agents for myotonic dystrophy type 2 (DM2). Nucleic Acids Res. 2011 Nov 1;39(20):8881-90. doi: 10.1093/nar/gkr415. Epub 2011 Jul 18. PMID: 21768123; PMCID: PMC3203617.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21768123/,,,,,,128962,No,No,,,,
DBoRL1320,Triaminopyrimidine based ligand 3,9-amino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide,[H]N(CCN(C)C)C(=O)C1=CC=CC2=C1N=C1C=CC=CC1=C2N,"InChI=1S/C18H20N4O/c1-22(2)11-10-20-18(23)14-8-5-7-13-16(19)12-6-3-4-9-15(12)21-17(13)14/h3-9H,10-11H2,1-2H3,(H2,19,21)(H,20,23)",YLGMVQJPGUHTRO-UHFFFAOYSA-N,C18H20N4O,"89459-43-8,95032-39-6",308.385,1.770262482,2,4,4,3,RNA G,"The compound selectively inhibits MBNL1?CCUG interaction, which occurs during myotonic dystrophy type 2 (DM2). The compound exhibits both strong inhibition of the MBNL1?CCUG interaction and high selectivity for CCUG repeats over other RNA targets. So, the compound is a potential lead agent for the treatment of DM2. ",21768123,,,,,,"Wong CH, Fu Y, Ramisetty SR, Baranger AM, Zimmerman SC. Selective inhibition of MBNL1-CCUG interaction by small molecules toward potential therapeutic agents for myotonic dystrophy type 2 (DM2). Nucleic Acids Res. 2011 Nov 1;39(20):8881-90. doi: 10.1093/nar/gkr415. Epub 2011 Jul 18. PMID: 21768123; PMCID: PMC3203617.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21768123/,,,,,,128962,No,No,,,,
DBoRL1321,Triaminopyrimidine based ligand 3,9-amino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide,[H]N(CCN(C)C)C(=O)C1=CC=CC2=C1N=C1C=CC=CC1=C2N,"InChI=1S/C18H20N4O/c1-22(2)11-10-20-18(23)14-8-5-7-13-16(19)12-6-3-4-9-15(12)21-17(13)14/h3-9H,10-11H2,1-2H3,(H2,19,21)(H,20,23)",YLGMVQJPGUHTRO-UHFFFAOYSA-N,C18H20N4O,"89459-43-8,95032-39-6",308.385,1.770262482,2,4,4,3,RNA H,"The compound selectively inhibits MBNL1?CCUG interaction, which occurs during myotonic dystrophy type 2 (DM2). The compound exhibits both strong inhibition of the MBNL1?CCUG interaction and high selectivity for CCUG repeats over other RNA targets. So, the compound is a potential lead agent for the treatment of DM2. ",21768123,,,,,,"Wong CH, Fu Y, Ramisetty SR, Baranger AM, Zimmerman SC. Selective inhibition of MBNL1-CCUG interaction by small molecules toward potential therapeutic agents for myotonic dystrophy type 2 (DM2). Nucleic Acids Res. 2011 Nov 1;39(20):8881-90. doi: 10.1093/nar/gkr415. Epub 2011 Jul 18. PMID: 21768123; PMCID: PMC3203617.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21768123/,,,,,,128962,No,No,,,,
DBoRL1322,Triaminopyrimidine based ligand 3,9-amino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide,[H]N(CCN(C)C)C(=O)C1=CC=CC2=C1N=C1C=CC=CC1=C2N,"InChI=1S/C18H20N4O/c1-22(2)11-10-20-18(23)14-8-5-7-13-16(19)12-6-3-4-9-15(12)21-17(13)14/h3-9H,10-11H2,1-2H3,(H2,19,21)(H,20,23)",YLGMVQJPGUHTRO-UHFFFAOYSA-N,C18H20N4O,"89459-43-8,95032-39-6",308.385,1.770262482,2,4,4,3,RNA I,"The compound selectively inhibits MBNL1?CCUG interaction, which occurs during myotonic dystrophy type 2 (DM2). The compound exhibits both strong inhibition of the MBNL1?CCUG interaction and high selectivity for CCUG repeats over other RNA targets. So, the compound is a potential lead agent for the treatment of DM2. ",21768123,,,,,,"Wong CH, Fu Y, Ramisetty SR, Baranger AM, Zimmerman SC. Selective inhibition of MBNL1-CCUG interaction by small molecules toward potential therapeutic agents for myotonic dystrophy type 2 (DM2). Nucleic Acids Res. 2011 Nov 1;39(20):8881-90. doi: 10.1093/nar/gkr415. Epub 2011 Jul 18. PMID: 21768123; PMCID: PMC3203617.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21768123/,,,,,,128962,No,No,,,,
DBoRL1323,Triaminopyrimidine based ligand 3,9-amino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide,[H]N(CCN(C)C)C(=O)C1=CC=CC2=C1N=C1C=CC=CC1=C2N,"InChI=1S/C18H20N4O/c1-22(2)11-10-20-18(23)14-8-5-7-13-16(19)12-6-3-4-9-15(12)21-17(13)14/h3-9H,10-11H2,1-2H3,(H2,19,21)(H,20,23)",YLGMVQJPGUHTRO-UHFFFAOYSA-N,C18H20N4O,"89459-43-8,95032-39-6",308.385,1.770262482,2,4,4,3,bulk yeast tRNA,"The compound selectively inhibits MBNL1?CCUG interaction, which occurs during myotonic dystrophy type 2 (DM2). The compound exhibits both strong inhibition of the MBNL1?CCUG interaction and high selectivity for CCUG repeats over other RNA targets. So, the compound is a potential lead agent for the treatment of DM2. ",21768123,,,,,,"Wong CH, Fu Y, Ramisetty SR, Baranger AM, Zimmerman SC. Selective inhibition of MBNL1-CCUG interaction by small molecules toward potential therapeutic agents for myotonic dystrophy type 2 (DM2). Nucleic Acids Res. 2011 Nov 1;39(20):8881-90. doi: 10.1093/nar/gkr415. Epub 2011 Jul 18. PMID: 21768123; PMCID: PMC3203617.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21768123/,,,,,,128962,No,No,,,,
DBoRL1324,"(4R,5R)-1","[(4R,5S)-2-oxo-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-5-yl]methyl N-(4-acetylphenyl)carbamate",CC(=O)C1=CC=C(NC(=O)OC[C@H]2OC(=O)N[C@@H]2CN2CCN(CC2)C2=CC=CC=C2)C=C1,"InChI=1S/C24H28N4O5/c1-17(29)18-7-9-19(10-8-18)25-23(30)32-16-22-21(26-24(31)33-22)15-27-11-13-28(14-12-27)20-5-3-2-4-6-20/h2-10,21-22H,11-16H2,1H3,(H,25,30)(H,26,31)/t21-,22-/m1/s1",ADHPYHCSGCLCMN-FGZHOGPDSA-N,C24H28N4O5,Not Found,452.511,2.733942275,2,6,8,4,T-box riboswitch antiterminator model RNA AM1A,"(4R,5R)-1 is a synthesized 4,5-disubstituted oxazolidinone ligands binding to T-box riboswitch antiterminator model RNA AM1A. Characterization of ligand affinities and binding site localization indicate that there is little stereospecific discrimination for binding antiterminator RNA alone. By knowing this, it is possible to T-box antiterminator-targeted drug discovery and, in general, for targeting other medicinally relevant RNA that do not present deep binding pockets.",21812425,,,,,,"Orac CM, Zhou S, Means JA, Boehm D, Bergmeier SC, Hines JV. Synthesis and stereospecificity of 4,5-disubstituted oxazolidinone ligands binding to T-box riboswitch RNA. J Med Chem. 2011 Oct 13;54(19):6786-95. doi: 10.1021/jm2006904. Epub 2011 Aug 31. PMID: 21812425; PMCID: PMC3466060.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21812425/,,,,,,24821057,No,No,,,,
DBoRL1325,"(4R,5R)-2","[(4S,5R)-2-oxo-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-5-yl]methyl N-(4-acetylphenyl)carbamate",CC(=O)C1=CC=C(NC(=O)OC[C@@H]2OC(=O)N[C@H]2CN2CCN(CC2)C2=CC=CC=C2)C=C1,"InChI=1S/C24H28N4O5/c1-17(29)18-7-9-19(10-8-18)25-23(30)32-16-22-21(26-24(31)33-22)15-27-11-13-28(14-12-27)20-5-3-2-4-6-20/h2-10,21-22H,11-16H2,1H3,(H,25,30)(H,26,31)/t21-,22-/m0/s1",ADHPYHCSGCLCMN-VXKWHMMOSA-N,C24H28N4O5,Not Found,452.511,2.733942275,2,6,8,4,T-box riboswitch antiterminator model RNA AM1A,"(4R,5R)-2 is a synthesized 4,5-disubstituted oxazolidinone ligands binding to T-box riboswitch antiterminator model RNA AM1A. Characterization of ligand affinities and binding site localization indicate that there is little stereospecific discrimination for binding antiterminator RNA alone. By knowing this, it is possible to T-box antiterminator-targeted drug discovery and, in general, for targeting other medicinally relevant RNA that do not present deep binding pockets.",21812425,,,,,,"Orac CM, Zhou S, Means JA, Boehm D, Bergmeier SC, Hines JV. Synthesis and stereospecificity of 4,5-disubstituted oxazolidinone ligands binding to T-box riboswitch RNA. J Med Chem. 2011 Oct 13;54(19):6786-95. doi: 10.1021/jm2006904. Epub 2011 Aug 31. PMID: 21812425; PMCID: PMC3466060.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21812425/,,,,,,54757843,No,No,,,,
DBoRL1326,"(4R,5S)-1","[(4R,5S)-2-oxo-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-5-yl]methyl 2-phenylacetate",O=C(CC1=CC=CC=C1)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(CC1)C1=CC=CC=C1,"InChI=1S/C23H27N3O4/c27-22(15-18-7-3-1-4-8-18)29-17-21-20(24-23(28)30-21)16-25-11-13-26(14-12-25)19-9-5-2-6-10-19/h1-10,20-21H,11-17H2,(H,24,28)/t20-,21-/m1/s1",PEYFDUDIYDGOOB-NHCUHLMSSA-N,C23H27N3O4,Not Found,409.486,3.102935599,1,4,8,4,T-box riboswitch antiterminator model RNA AM1A,"(4R,5S)-1 is a synthesized 4,5-disubstituted oxazolidinone ligands binding to T-box riboswitch antiterminator model RNA AM1A. Characterization of ligand affinities and binding site localization indicate that there is little stereospecific discrimination for binding antiterminator RNA alone. By knowing this, it is possible to T-box antiterminator-targeted drug discovery and, in general, for targeting other medicinally relevant RNA that do not present deep binding pockets.",21812425,,,,,,"Orac CM, Zhou S, Means JA, Boehm D, Bergmeier SC, Hines JV. Synthesis and stereospecificity of 4,5-disubstituted oxazolidinone ligands binding to T-box riboswitch RNA. J Med Chem. 2011 Oct 13;54(19):6786-95. doi: 10.1021/jm2006904. Epub 2011 Aug 31. PMID: 21812425; PMCID: PMC3466060.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21812425/,,,,,,24821056,No,No,,,,
DBoRL1327,"(4R,5S)-2","[(4S,5R)-2-oxo-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-5-yl]methyl 2-phenylacetate",O=C(CC1=CC=CC=C1)OC[C@@H]1OC(=O)N[C@H]1CN1CCN(CC1)C1=CC=CC=C1,"InChI=1S/C23H27N3O4/c27-22(15-18-7-3-1-4-8-18)29-17-21-20(24-23(28)30-21)16-25-11-13-26(14-12-25)19-9-5-2-6-10-19/h1-10,20-21H,11-17H2,(H,24,28)/t20-,21-/m0/s1",PEYFDUDIYDGOOB-SFTDATJTSA-N,C23H27N3O4,Not Found,409.486,3.102935599,1,4,8,4,T-box riboswitch antiterminator model RNA AM1A,"(4R,5S)-2 is a synthesized 4,5-disubstituted oxazolidinone ligands binding to T-box riboswitch antiterminator model RNA AM1A. Characterization of ligand affinities and binding site localization indicate that there is little stereospecific discrimination for binding antiterminator RNA alone. By knowing this, it is possible to T-box antiterminator-targeted drug discovery and, in general, for targeting other medicinally relevant RNA that do not present deep binding pockets.",21812425,,,,,,"Orac CM, Zhou S, Means JA, Boehm D, Bergmeier SC, Hines JV. Synthesis and stereospecificity of 4,5-disubstituted oxazolidinone ligands binding to T-box riboswitch RNA. J Med Chem. 2011 Oct 13;54(19):6786-95. doi: 10.1021/jm2006904. Epub 2011 Aug 31. PMID: 21812425; PMCID: PMC3466060.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21812425/,,,,,,54757753,No,No,,,,
DBoRL1328,"[(4R,5S)-2-Oxo-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-5-yl]methyl 2-phenylacetate","{2-oxo-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-5-yl}methyl 2-phenylacetate",O=C(Cc1ccccc1)OCC1OC(=O)NC1CN1CCN(c2ccccc2)CC1,"InChI=1/C23H27N3O4/c27-22(15-18-7-3-1-4-8-18)29-17-21-20(24-23(28)30-21)16-25-11-13-26(14-12-25)19-9-5-2-6-10-19/h1-10,20-21H,11-17H2,(H,24,28)",PEYFDUDIYDGOOB-UHFFFAOYNA-N,C23H27N3O4,Not Found,409.486,3.102935599,1,4,8,4,T-box riboswitch antiterminator model RNA AM1A,"[(4R,5S)-2-Oxo-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-5-yl]methyl 2-phenylacetate binds with antiterminator model RNA AM1A, which result in comparable ligand-antiterminator contacts. These results have significant implications for T-box antiterminator-targeted drug discovery.",21812425,,,,,,"Orac CM, Zhou S, Means JA, Boehm D, Bergmeier SC, Hines JV. Synthesis and stereospecificity of 4,5-disubstituted oxazolidinone ligands binding to T-box riboswitch RNA. J Med Chem. 2011 Oct 13;54(19):6786-95. doi: 10.1021/jm2006904. Epub 2011 Aug 31. PMID: 21812425; PMCID: PMC3466060.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21812425/,,,,,,Not Found,No,No,,,,
DBoRL1329,cis-2,"[(4S,5S)-2-oxo-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-5-yl]methyl N-(4-acetylphenyl)carbamate",CC(=O)C1=CC=C(NC(=O)OC[C@H]2OC(=O)N[C@H]2CN2CCN(CC2)C2=CC=CC=C2)C=C1,"InChI=1S/C24H28N4O5/c1-17(29)18-7-9-19(10-8-18)25-23(30)32-16-22-21(26-24(31)33-22)15-27-11-13-28(14-12-27)20-5-3-2-4-6-20/h2-10,21-22H,11-16H2,1H3,(H,25,30)(H,26,31)/t21-,22+/m0/s1",ADHPYHCSGCLCMN-FCHUYYIVSA-N,C24H28N4O5,Not Found,452.511,2.733942275,2,6,8,4,T-box riboswitch antiterminator model RNA AM1A,"cis-2 is a synthesized 4,5-disubstituted oxazolidinone ligands binding to T-box riboswitch antiterminator model RNA AM1A. Characterization of ligand affinities and binding site localization indicate that there is little stereospecific discrimination for binding antiterminator RNA alone. By knowing this, it is possible to T-box antiterminator-targeted drug discovery and, in general, for targeting other medicinally relevant RNA that do not present deep binding pockets.",21812425,,,,,,"Orac CM, Zhou S, Means JA, Boehm D, Bergmeier SC, Hines JV. Synthesis and stereospecificity of 4,5-disubstituted oxazolidinone ligands binding to T-box riboswitch RNA. J Med Chem. 2011 Oct 13;54(19):6786-95. doi: 10.1021/jm2006904. Epub 2011 Aug 31. PMID: 21812425; PMCID: PMC3466060.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21812425/,,,,,,54758037,No,No,,,,
DBoRL1330,Rac-1,"[(4R,5S)-2-oxo-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-5-yl]methyl 2-phenylacetate",O=C(CC1=CC=CC=C1)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(CC1)C1=CC=CC=C1,"InChI=1S/C23H27N3O4/c27-22(15-18-7-3-1-4-8-18)29-17-21-20(24-23(28)30-21)16-25-11-13-26(14-12-25)19-9-5-2-6-10-19/h1-10,20-21H,11-17H2,(H,24,28)/t20-,21-/m1/s1",PEYFDUDIYDGOOB-NHCUHLMSSA-N,C23H27N3O4,Not Found,409.486,3.102935599,1,4,8,4,T-box riboswitch antiterminator model RNA AM1A,"Rac-1 is a synthesized 4,5-disubstituted oxazolidinone ligands binding to T-box riboswitch antiterminator model RNA AM1A. Characterization of ligand affinities and binding site localization indicate that there is little stereospecific discrimination for binding antiterminator RNA alone. By knowing this, it is possible to T-box antiterminator-targeted drug discovery and, in general, for targeting other medicinally relevant RNA that do not present deep binding pockets.",21812425,,,,,,"Orac CM, Zhou S, Means JA, Boehm D, Bergmeier SC, Hines JV. Synthesis and stereospecificity of 4,5-disubstituted oxazolidinone ligands binding to T-box riboswitch RNA. J Med Chem. 2011 Oct 13;54(19):6786-95. doi: 10.1021/jm2006904. Epub 2011 Aug 31. PMID: 21812425; PMCID: PMC3466060.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21812425/,,,,,,24821056,No,No,,,,
DBoRL1331,Rac-2,"[(4R,5S)-2-oxo-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-5-yl]methyl N-(4-acetylphenyl)carbamate",CC(=O)C1=CC=C(NC(=O)OC[C@H]2OC(=O)N[C@@H]2CN2CCN(CC2)C2=CC=CC=C2)C=C1,"InChI=1S/C24H28N4O5/c1-17(29)18-7-9-19(10-8-18)25-23(30)32-16-22-21(26-24(31)33-22)15-27-11-13-28(14-12-27)20-5-3-2-4-6-20/h2-10,21-22H,11-16H2,1H3,(H,25,30)(H,26,31)/t21-,22-/m1/s1",ADHPYHCSGCLCMN-FGZHOGPDSA-N,C24H28N4O5,Not Found,452.511,2.733942275,2,6,8,4,T-box riboswitch antiterminator model RNA AM1A,"Rac-2 is a synthesized 4,5-disubstituted oxazolidinone ligands binding to T-box riboswitch antiterminator model RNA AM1A. Characterization of ligand affinities and binding site localization indicate that there is little stereospecific discrimination for binding antiterminator RNA alone. By knowing this, it is possible to T-box antiterminator-targeted drug discovery and, in general, for targeting other medicinally relevant RNA that do not present deep binding pockets.",21812425,,,,,,"Orac CM, Zhou S, Means JA, Boehm D, Bergmeier SC, Hines JV. Synthesis and stereospecificity of 4,5-disubstituted oxazolidinone ligands binding to T-box riboswitch RNA. J Med Chem. 2011 Oct 13;54(19):6786-95. doi: 10.1021/jm2006904. Epub 2011 Aug 31. PMID: 21812425; PMCID: PMC3466060.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21812425/,,,,,,24821057,No,No,,,,
DBoRL1332,Racemic oxazolidinones ,"{2-oxo-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-5-yl}methyl N-(4-acetylphenyl)carbamate",CC(=O)c1ccc(NC(=O)OCC2OC(=O)NC2CN2CCN(c3ccccc3)CC2)cc1,"InChI=1/C24H28N4O5/c1-17(29)18-7-9-19(10-8-18)25-23(30)32-16-22-21(26-24(31)33-22)15-27-11-13-28(14-12-27)20-5-3-2-4-6-20/h2-10,21-22H,11-16H2,1H3,(H,25,30)(H,26,31)",ADHPYHCSGCLCMN-UHFFFAOYNA-N,C24H28N4O5,Not Found,452.511,2.733942275,2,6,8,4,Antiterminator model RNA AM1A,"Racemic oxazolidinones binds with antiterminator model RNA AM1A, which result in comparable ligand-antiterminator contacts. These results have significant implications for T-box antiterminator-targeted drug discovery.",21812425,,,,,,"Orac CM, Zhou S, Means JA, Boehm D, Bergmeier SC, Hines JV. Synthesis and stereospecificity of 4,5-disubstituted oxazolidinone ligands binding to T-box riboswitch RNA. J Med Chem. 2011 Oct 13;54(19):6786-95. doi: 10.1021/jm2006904. Epub 2011 Aug 31. PMID: 21812425; PMCID: PMC3466060.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21812425/,,,,,,Not Found,No,No,,,,
DBoRL1333,2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid",Nc1nc2c(ncn2C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]1,"InChI=1/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)",LTFMZDNNPPEQNG-UHFFFAOYNA-N,C10H14N5O7P,Not Found,347.224,-2.216546913,5,9,4,3,2'- Deoxyguanosine riboswitch,"2'- deoxyguanosine (dG) riboswitch play an essential role in genetic regulation of bacterial metabolism. The dG riboswitch involved in feedback control of deoxyguanosine biosynthesis. When dG riboswitch bound to 2?-deoxyguanosine-5?-monophosphate, the dG riboswitch achieves its specificity by modifying key interactions involving the nucleobase and through rearrangement of the ligand-binding pocket, so as to accommodate the additional sugar moiety.",21841796,,,,,,"Pikovskaya O, Polonskaia A, Patel DJ, Serganov A. Structural principles of nucleoside selectivity in a 2'-deoxyguanosine riboswitch. Nat Chem Biol. 2011 Aug 14;7(10):748-55. doi: 10.1038/nchembio.631. PMID: 21841796; PMCID: PMC3781940.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21841796/,,,,,,135402021,Yes,No,Experimental,DB04457,https://go.drugbank.com/drugs/DB04457,This is the isomeric form of the drug approved by USFDA.
DBoRL1334,2'-Deoxyguanosine,"2-amino-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one",Nc1nc2c(ncn2C2CC(O)C(CO)O2)c(=O)[nH]1,"InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)",YKBGVTZYEHREMT-UHFFFAOYNA-N,C10H13N5O4,Not Found,267.245,-1.805580133,4,7,2,3,2'- Deoxyguanosine riboswitch,"2'- deoxyguanosine (dG) riboswitch play an essential role in genetic regulation of bacterial metabolism. The dG riboswitch involved in feedback control of deoxyguanosine biosynthesis. When dG riboswitch bound to 2'-Deoxyguanosine, the dG riboswitch achieves its specificity by modifying key interactions involving the nucleobase and through rearrangement of the ligand-binding pocket, so as to accommodate the additional sugar moiety.",21841796,,,,,,"Pikovskaya O, Polonskaia A, Patel DJ, Serganov A. Structural principles of nucleoside selectivity in a 2'-deoxyguanosine riboswitch. Nat Chem Biol. 2011 Aug 14;7(10):748-55. doi: 10.1038/nchembio.631. PMID: 21841796; PMCID: PMC3781940.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21841796/,,,,,,135402018,Yes,No,Experimental,DB04457,https://go.drugbank.com/drugs/DB04457,
DBoRL1335,Guanosine,"2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one",Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1,"InChI=1/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)",NYHBQMYGNKIUIF-UHFFFAOYNA-N,C10H13N5O5,Not Found,283.244,-2.706218196,5,8,2,3,2'- deoxyguanosine riboswitch,"2'- deoxyguanosine (dG) riboswitch play an essential role in genetic regulation of bacterial metabolism. The dG riboswitch involved in feedback control of deoxyguanosine biosynthesis. When dG riboswitch bound to guanosine, the dG riboswitch achieves its specificity by modifying key interactions involving the nucleobase and through rearrangement of the ligand-binding pocket, so as to accommodate the additional sugar moiety.",21841796,,,,,,"Pikovskaya O, Polonskaia A, Patel DJ, Serganov A. Structural principles of nucleoside selectivity in a 2'-deoxyguanosine riboswitch. Nat Chem Biol. 2011 Aug 14;7(10):748-55. doi: 10.1038/nchembio.631. PMID: 21841796; PMCID: PMC3781940.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21841796/,,,,,,765,Yes,No,Experimental Investigational,DB02857,https://go.drugbank.com/drugs/DB02857,
DBoRL1336,Guanosine-5'-monophosphate,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid",Nc1nc2c(ncn2C2OC(COP(=O)(O)O)C(O)C2O)c(=O)[nH]1,"InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)",RQFCJASXJCIDSX-UHFFFAOYNA-N,C10H14N5O8P,Not Found,363.223,-3.116223925,6,10,4,3,2'- Deoxyguanosine riboswitch,"2'- deoxyguanosine (dG) riboswitch play an essential role in genetic regulation of bacterial metabolism. The dG riboswitch involved in feedback control of deoxyguanosine biosynthesis. When dG riboswitch bound to Guanosine-5'-monophosphate, the dG riboswitch achieves its specificity by modifying key interactions involving the nucleobase and through rearrangement of the ligand-binding pocket, so as to accommodate the additional sugar moiety.",21841796,,,,,,"Pikovskaya O, Polonskaia A, Patel DJ, Serganov A. Structural principles of nucleoside selectivity in a 2'-deoxyguanosine riboswitch. Nat Chem Biol. 2011 Aug 14;7(10):748-55. doi: 10.1038/nchembio.631. PMID: 21841796; PMCID: PMC3781940.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21841796/,,,,,,135400774,Yes,No,Experimental,DB01972,https://go.drugbank.com/drugs/DB01972,
DBoRL1337,Aristololactam - beta-D-glucoside,"14-methoxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.0?,?.0?,??.0??,??]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one",[H]C1(CO)OC([H])(N2C(=O)C3=CC4=C(OCO4)C4=C3C2=CC2=C4C=CC=C2OC)C([H])(O)C([H])(O)C1([H])O,"InChI=1/C23H21NO9/c1-30-13-4-2-3-9-10(13)5-12-16-11(6-14-21(17(9)16)32-8-31-14)22(29)24(12)23-20(28)19(27)18(26)15(7-25)33-23/h2-6,15,18-20,23,25-28H,7-8H2,1H3",GIDCUQKCIZAUKW-UHFFFAOYNA-N,C23H21NO9,Not Found,455.419,-0.01349556,4,9,3,6,yeast tRNA,Aristololactam-?-D-glucoside use to target RNA. The compound bind with tRNAphe and increase the thermal stability of the tRNAphe. ,21858023,,,,,,"Das A, Bhadra K, Suresh Kumar G. Targeting RNA by small molecules: comparative structural and thermodynamic aspects of aristololactam-?-D-glucoside and daunomycin binding to tRNA(phe). PLoS One. 2011;6(8):e23186. doi: 10.1371/journal.pone.0023186. Epub 2011 Aug 16. PMID: 21858023; PMCID: PMC3156712.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21858023/,,,,,,53462738,No,No,,,,
DBoRL1338,Daunomycin,"(8S,10S)-8-acetyl-10-{[(4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione",COC1=C2C(=O)C3=C(O)C4=C(C[C@](O)(C[C@@H]4OC4C[C@@H](N)[C@@H](O)[C@@H](C)O4)C(C)=O)C(O)=C3C(=O)C2=CC=C1,"InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16+,17?,22+,27+/m1/s1",STQGQHZAVUOBTE-QBJHPDDPSA-N,C27H29NO10,Not Found,527.526,1.356178398,5,11,4,5,yeast tRNA,Daunomycin use to target RNA. The compound bind with tRNAphe and increase the thermal stability of the tRNAphe. ,21858023,,,,,,"Das A, Bhadra K, Suresh Kumar G. Targeting RNA by small molecules: comparative structural and thermodynamic aspects of aristololactam-?-D-glucoside and daunomycin binding to tRNA(phe). PLoS One. 2011;6(8):e23186. doi: 10.1371/journal.pone.0023186. Epub 2011 Aug 16. PMID: 21858023; PMCID: PMC3156712.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21858023/,,,,,,Not Found,Yes,Yes,,DB00445,https://go.drugbank.com/drugs/DB00445,This is the isomeric form of the drug approved by USFDA.
DBoRL1339,5-Hydroxymethylene-6-hydrofolic acid,"2-{[4-({[2-amino-5-(hydroxymethyl)-4-oxo-3,4,5,6-tetrahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid",Nc1nc2c(c(=O)[nH]1)N(CO)C(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)C=N2,"InChI=1/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,8,12-13,22,28H,5-7,9H2,(H,24,31)(H,29,30)(H,33,34)(H3,21,25,26,32)",IIEPLRAFVCMHQF-UHFFFAOYNA-N,C20H23N7O7,Not Found,473.446,-2.19016909,7,12,10,3,THF riboswitch,"5-Hydroxymethylene-6-hydrofolic acid bind to tetrahydrofolate riboswitch & as a result long-range pseudoknot interactions occurs, which dictate the regulatory response in the tetrahydrofolate riboswitch.",21873197,,,,,,"Huang L, Ishibe-Murakami S, Patel DJ, Serganov A. Long-range pseudoknot interactions dictate the regulatory response in the tetrahydrofolate riboswitch. Proc Natl Acad Sci U S A. 2011 Sep 6;108(36):14801-6. doi: 10.1073/pnas.1111701108. Epub 2011 Aug 22. PMID: 21873197; PMCID: PMC3169164.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21873197/,,,,,,135521067,Yes,No,Experimental,DB02800,https://go.drugbank.com/drugs/DB02800,
DBoRL1340,Levoleucovorin,"2-[(4-{[(2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid",Nc1nc2c(c(=O)[nH]1)N(C=O)C(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2,"InChI=1/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)",VVIAGPKUTFNRDU-UHFFFAOYNA-N,C20H23N7O7,Not Found,473.446,-2.488221881,7,11,9,3,THF riboswitch,"Levoleucovorin bind to tetrahydrofolate riboswitch & as a result long-range pseudoknot interactions occurs, which dictate the regulatory response in the tetrahydrofolate riboswitch.",21873197,,,,,,"Huang L, Ishibe-Murakami S, Patel DJ, Serganov A. Long-range pseudoknot interactions dictate the regulatory response in the tetrahydrofolate riboswitch. Proc Natl Acad Sci U S A. 2011 Sep 6;108(36):14801-6. doi: 10.1073/pnas.1111701108. Epub 2011 Aug 22. PMID: 21873197; PMCID: PMC3169164.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21873197/,,,,,,135402009,Yes,Yes,Investigational,DB11596,https://go.drugbank.com/drugs/DB11596,
DBoRL1341,Thioguanine,"2-amino-6,7-dihydro-3H-purine-6-thione",Nc1nc(=S)c2[nH]cnc2[nH]1,"InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",WYWHKKSPHMUBEB-UHFFFAOYSA-N,C5H5N5S,"154-42-7,153981-51-2,153981-52-3,154034-61-4,154034-62-5",167.19,-0.34946935,3,4,0,2,guanine riboswitch C61U/G37A double mutant,Thioguanine interact with guanine-sensing riboswitch aptamer domain & as a result folding kinetics change accordingly.,21890900,,,,,,"Buck J, Wacker A, Warkentin E, W?hnert J, Wirmer-Bartoschek J, Schwalbe H. Influence of ground-state structure and Mg2+ binding on folding kinetics of the guanine-sensing riboswitch aptamer domain. Nucleic Acids Res. 2011 Dec;39(22):9768-78. doi: 10.1093/nar/gkr664. Epub 2011 Sep 2. PMID: 21890900; PMCID: PMC3239184.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21890900/,,,,,,2723601,Yes,Yes,,DB00352,https://go.drugbank.com/drugs/DB00352,
DBoRL1342,5-Dimethylamiloride,3-amino-6-chloro-N-(diaminomethylidene)-5-(dimethylamino)pyrazine-2-carboxamide,CN(C)c1nc(N)c(C(=O)N=C(N)N)nc1Cl,"InChI=1S/C8H12ClN7O/c1-16(2)6-4(9)13-3(5(10)14-6)7(17)15-8(11)12/h1-2H3,(H2,10,14)(H4,11,12,15,17)",RXMUPNVSYKGKMY-UHFFFAOYSA-N,C8H12ClN7O,1214-79-5,257.68,0.046600696,3,8,2,1,HIV 1 TAR RNA,"5-(N,N)-dimethylamiloride (DMA) bind to trans-activating response (TAR) with high affinity. Thus, disruption of the Tat-TAR complex occurs & hence, thus inhibiting viral replication.",22185671,,,,,,"Guan L, Disney MD. Recent advances in developing small molecules targeting RNA. ACS Chem Biol. 2012 Jan 20;7(1):73-86. doi: 10.1021/cb200447r. Epub 2012 Jan 12. PMID: 22185671.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22185671/,,,,,,1793,No,No,,,,
DBoRL1343,Riboflavin,"7,8-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione",Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C,"InChI=1/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)",AUNGANRZJHBGPY-UHFFFAOYNA-N,C17H20N4O6,Not Found,376.369,-0.91654026,5,9,5,3,FMN riboswitch,FMN riboswitches are located in the 5? UTR of prokaryotic mRNAs that encode for FMN transport and biosynthesis proteins. Riboflavin is an antimicrobial compound. It binds directly to the FMN riboswitch aptamer domains with high affinity and down-regulates expression of an FMN riboswitch-lacZ reporter gene in Bacillus subtilis.,22185671,,,,,,"Guan L, Disney MD. Recent advances in developing small molecules targeting RNA. ACS Chem Biol. 2012 Jan 20;7(1):73-86. doi: 10.1021/cb200447r. Epub 2012 Jan 12. PMID: 22185671.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22185671/,,,,,,1072,Yes,Yes,Investigational Nutraceutical Vet_approved,DB00140,https://go.drugbank.com/drugs/DB00140,
DBoRL1344,L-3-[(2-Aminoethyl)-sulfonyl]-alanine,2-azaniumyl-3-(2-azaniumylethanesulfonyl)propanoate,[NH3+]CCS(=O)(=O)CC([NH3+])C(=O)[O-],"InChI=1/C5H12N2O4S/c6-1-2-12(10,11)3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/p+1",FOEVJZXMXCBPQH-UHFFFAOYNA-O,C5H13N2O4S,Not Found,197.23,-5.414594275,2,4,5,0,Lysine Riboswitch,"L-3-[(2-Aminoethyl)-sulfonyl]-alanine bind to trans-activating response (TAR) with high affinity. Thus, disruption of the Tat-TAR complex occurs & hence, thus inhibiting viral replication.",22185671,,,,,,"Guan L, Disney MD. Recent advances in developing small molecules targeting RNA. ACS Chem Biol. 2012 Jan 20;7(1):73-86. doi: 10.1021/cb200447r. Epub 2012 Jan 12. PMID: 22185671.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22185671/,,,,,,Not Found,No,No,,,,
DBoRL1345,Roseoflavin,"8-(dimethylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione",Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1N(C)C,"InChI=1/C18H23N5O6/c1-8-4-9-11(5-10(8)22(2)3)23(6-12(25)15(27)13(26)7-24)16-14(19-9)17(28)21-18(29)20-16/h4-5,12-13,15,24-27H,6-7H2,1-3H3,(H,21,28,29)",IGQLDUYTWDABFK-UHFFFAOYNA-N,C18H23N5O6,Not Found,405.411,-1.415415963,5,10,6,3,FMN riboswitch,"Roseoflavin, a pigment from Streptomyces davawensis, is an analogue of riboflavin and FMN and is an antimicrobial. It binds directly to the FMN riboswitch aptamer domains with high affinity and down-regulates expression of an FMN riboswitch-lacZ reporter gene in Bacillus subtilis by 5-fold.",22185671,,,,,,"Guan L, Disney MD. Recent advances in developing small molecules targeting RNA. ACS Chem Biol. 2012 Jan 20;7(1):73-86. doi: 10.1021/cb200447r. Epub 2012 Jan 12. PMID: 22185671.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22185671/,,,,,,170973,No,No,,,,
DBoRL1346,Thiamine pyrophosphate,"3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium chloride",Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1.[Cl-],"InChI=1S/C12H18N4O7P2S.ClH/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21);1H",YXVCLPJQTZXJLH-UHFFFAOYSA-N,C12H19ClN4O7P2S,154-87-0,460.76,-5.921057522,4,8,8,2,Lysine Riboswitch,"Thiamine pyrophosphate (TPP) is the active form of intracellular thiamine, acting as an essential coenzyme for the catalytic cleavage of a carbon? carbon bond in many biochemical reactions.",22185671,,,,,,"Guan L, Disney MD. Recent advances in developing small molecules targeting RNA. ACS Chem Biol. 2012 Jan 20;7(1):73-86. doi: 10.1021/cb200447r. Epub 2012 Jan 12. PMID: 22185671.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22185671/,,,,,,9068,Yes,Yes,Experimental,DB01987,https://go.drugbank.com/drugs/DB01987,This is the isomeric form of the drug approved by USFDA.
DBoRL1347,Proflavin,"acridine-3,6-diamine",NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1,"InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2",WDVSHHCDHLJJJR-UHFFFAOYSA-N,C13H11N3,"92-62-6,1811-28-5",209.252,1.848375646,2,3,0,3,RNA with motif: 5'CUG/3'GUC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,7099,Yes,Yes,,DB01123,https://go.drugbank.com/drugs/DB01123,
DBoRL1348,Quinacrine (QNC),6-chloro-N-[5-(diethylamino)pentan-2-yl]-2-methoxyacridin-9-amine,CCN(CC)CCCC(C)NC1=C2C=C(OC)C=CC2=NC2=CC(Cl)=CC=C12,"InChI=1/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)",GPKJTRJOBQGKQK-UHFFFAOYNA-N,C23H30ClN3O,Not Found,399.96,5.151536958,1,4,9,3,RNA with motif: 5'CAG/3'GCC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,237,Yes,No,Investigational,DB01103,https://go.drugbank.com/drugs/DB01103,
DBoRL1349,DNM,"(8S,10S)-8-acetyl-10-{[(2S,4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-1-methoxy-5,5a,7,8,9,10,11a,12-octahydrotetracene-5,12-dione",COC1=C2C(=O)C3C(C(O)=C4C[C@](O)(C[C@H](O[C@@H]5C[C@@H](N)[C@@H](O)[C@@H](C)O5)C4=C3O)C(C)=O)C(=O)C2=CC=C1,"InChI=1S/C27H31NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,20-22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16+,17-,20?,21?,22+,27+/m1/s1",CZMUAVFPZPOHSI-ISTNPFSBSA-N,C27H31NO10,Not Found,529.542,-3.433533648,5,11,4,5,RNA with motif: 5'CCG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1350,DAPI,2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide,NC(=N)C1=CC=C(C=C1)C1=CC2=C(N1)C=C(C=C2)C(N)=N,"InChI=1S/C16H15N5/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13/h1-8,21H,(H3,17,18)(H3,19,20)",FWBHETKCLVMNFS-UHFFFAOYSA-N,C16H15N5,47165-04-8,277.331,1.480171243,5,4,3,3,RNA with motif: 5'CAG/3'GUC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,2954,No,No,,,,
DBoRL1351,DAPI,2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide,NC(=N)C1=CC=C(C=C1)C1=CC2=C(N1)C=C(C=C2)C(N)=N,"InChI=1S/C16H15N5/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13/h1-8,21H,(H3,17,18)(H3,19,20)",FWBHETKCLVMNFS-UHFFFAOYSA-N,C16H15N5,47165-04-8,277.331,1.480171243,5,4,3,3,RNA with motif: 5'CAG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,2954,No,No,,,,
DBoRL1352,DAPI,2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide,NC(=N)C1=CC=C(C=C1)C1=CC2=C(N1)C=C(C=C2)C(N)=N,"InChI=1S/C16H15N5/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13/h1-8,21H,(H3,17,18)(H3,19,20)",FWBHETKCLVMNFS-UHFFFAOYSA-N,C16H15N5,47165-04-8,277.331,1.480171243,5,4,3,3,RNA with motif: 5'CUG/3'GUC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,2954,No,No,,,,
DBoRL1353,DAPI,2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide,NC(=N)C1=CC=C(C=C1)C1=CC2=C(N1)C=C(C=C2)C(N)=N,"InChI=1S/C16H15N5/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13/h1-8,21H,(H3,17,18)(H3,19,20)",FWBHETKCLVMNFS-UHFFFAOYSA-N,C16H15N5,47165-04-8,277.331,1.480171243,5,4,3,3,RNA withC motif: 5'CGG/3'GG,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,2954,No,No,,,,
DBoRL1354,DAPI,2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide,NC(=N)C1=CC=C(C=C1)C1=CC2=C(N1)C=C(C=C2)C(N)=N,"InChI=1S/C16H15N5/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13/h1-8,21H,(H3,17,18)(H3,19,20)",FWBHETKCLVMNFS-UHFFFAOYSA-N,C16H15N5,47165-04-8,277.331,1.480171243,5,4,3,3,RNA with motif: 5'CCG/3'GCG,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,2954,No,No,,,,
DBoRL1355,DAPI-like compound D4,"2-{4-[(2E)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]triaz-2-en-1-yl]phenyl}-4,5-dihydro-1H-imidazole",C1CN=C(N1)C1=CC=C(N\N=N\C2=CC=C(C=C2)C2=NCCN2)C=C1,"InChI=1S/C18H19N7/c1-5-15(6-2-13(1)17-19-9-10-20-17)23-25-24-16-7-3-14(4-8-16)18-21-11-12-22-18/h1-8H,9-12H2,(H,19,20)(H,21,22)(H,23,24)",FOFCDMDAIMOVIG-UHFFFAOYSA-N,C18H19N7,87550-55-8,333.399,2.42247314,3,7,5,4,RNA with motif: 5'CAG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,3071251,No,No,,,,
DBoRL1356,DAPI-like compound D7,4-[(2E)-3-(4-carbamimidoylphenyl)triaz-2-en-1-yl]benzene-1-carboximidamide,NC(=N)C1=CC=C(N\N=N\C2=CC=C(C=C2)C(N)=N)C=C1,"InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)",XNYZHCFCZNMTFY-UHFFFAOYSA-N,C14H15N7,"536-71-0,1443105-71-2",281.323,1.762952097,5,7,5,2,RNA with motif: 5'CAG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,2354,Yes,No,Experimental,DB03608,https://go.drugbank.com/drugs/DB03608,
DBoRL1357,DAPI-like compound D5,N-{4-[(4-carbamimidamidophenyl)methyl]phenyl}guanidine,NC(=N)NC1=CC=C(CC2=CC=C(NC(N)=N)C=C2)C=C1,"InChI=1S/C15H18N6/c16-14(17)20-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)21-15(18)19/h1-8H,9H2,(H4,16,17,20)(H4,18,19,21)",VPFQDYYIEBRWAW-UHFFFAOYSA-N,C15H18N6,7773-73-1,282.351,2.01302587,6,6,4,2,RNA with motif: 5'CAG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,24484,No,No,,,,
DBoRL1358,DAPI-like compound D9,2-(4-methoxyphenyl)-1H-indole,COC1=CC=C(C=C1)C1=CC2=CC=CC=C2N1,"InChI=1S/C15H13NO/c1-17-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)16-15/h2-10,16H,1H3",BHCBPEBRFMLOND-UHFFFAOYSA-N,C15H13NO,5784-95-2,223.275,3.481563029,1,1,2,3,RNA with motif: 5'CAG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,231244,No,No,,,,
DBoRL1359,Mitoxantrone (MTx),"1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione",OCCNCCNC1=CC=C(NCCNCCO)C2=C1C(=O)C1=C(O)C=CC(O)=C1C2=O,"InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2",KKZJGLLVHKMTCM-UHFFFAOYSA-N,C22H28N4O6,65271-80-9,444.488,0.651459895,8,10,12,3,RNA with motif: 5'CAG/3'GUC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,4212,Yes,Yes,Investigational,DB01204,https://go.drugbank.com/drugs/DB01204,
DBoRL1360,Mitoxantrone (MTx),"1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione",OCCNCCNC1=CC=C(NCCNCCO)C2=C1C(=O)C1=C(O)C=CC(O)=C1C2=O,"InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2",KKZJGLLVHKMTCM-UHFFFAOYSA-N,C22H28N4O6,65271-80-9,444.488,0.651459895,8,10,12,3,RNA with motif: 5'CUG/3'GUC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,4212,Yes,Yes,Investigational,DB01204,https://go.drugbank.com/drugs/DB01204,
DBoRL1361,Mitoxantrone (MTx),"1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione",OCCNCCNC1=CC=C(NCCNCCO)C2=C1C(=O)C1=C(O)C=CC(O)=C1C2=O,"InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2",KKZJGLLVHKMTCM-UHFFFAOYSA-N,C22H28N4O6,65271-80-9,444.488,0.651459895,8,10,12,3,RNA with motif: 5'CCG/3'GCC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,4212,Yes,Yes,Investigational,DB01204,https://go.drugbank.com/drugs/DB01204,
DBoRL1362,Mitoxantrone (MTx),"1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione",OCCNCCNC1=CC=C(NCCNCCO)C2=C1C(=O)C1=C(O)C=CC(O)=C1C2=O,"InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2",KKZJGLLVHKMTCM-UHFFFAOYSA-N,C22H28N4O6,65271-80-9,444.488,0.651459895,8,10,12,3,RNA with motif: 5'CAG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,4212,Yes,Yes,Investigational,DB01204,https://go.drugbank.com/drugs/DB01204,
DBoRL1363,Mitoxantrone (MTx),"1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione",OCCNCCNC1=CC=C(NCCNCCO)C2=C1C(=O)C1=C(O)C=CC(O)=C1C2=O,"InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2",KKZJGLLVHKMTCM-UHFFFAOYSA-N,C22H28N4O6,65271-80-9,444.488,0.651459895,8,10,12,3,RNA with motif: 5'CGG/3'GGC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,4212,Yes,Yes,Investigational,DB01204,https://go.drugbank.com/drugs/DB01204,
DBoRL1364,Mitoxantrone (MTx),"1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione",OCCNCCNC1=CC=C(NCCNCCO)C2=C1C(=O)C1=C(O)C=CC(O)=C1C2=O,"InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2",KKZJGLLVHKMTCM-UHFFFAOYSA-N,C22H28N4O6,65271-80-9,444.488,0.651459895,8,10,12,3,RNA with motif: 5'CUG/3'GCC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,4212,Yes,Yes,Investigational,DB01204,https://go.drugbank.com/drugs/DB01204,
DBoRL1365,Mitoxantrone (MTx),"1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione",OCCNCCNC1=CC=C(NCCNCCO)C2=C1C(=O)C1=C(O)C=CC(O)=C1C2=O,"InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2",KKZJGLLVHKMTCM-UHFFFAOYSA-N,C22H28N4O6,65271-80-9,444.488,0.651459895,8,10,12,3,RNA with motif: 5'CAG/3'GCC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,4212,Yes,Yes,Investigational,DB01204,https://go.drugbank.com/drugs/DB01204,
DBoRL1366,Mitoxantrone (MTx),"1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione",OCCNCCNC1=CC=C(NCCNCCO)C2=C1C(=O)C1=C(O)C=CC(O)=C1C2=O,"InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2",KKZJGLLVHKMTCM-UHFFFAOYSA-N,C22H28N4O6,65271-80-9,444.488,0.651459895,8,10,12,3,RNA with motif: 5'CCG/3'GUC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,4212,Yes,Yes,Investigational,DB01204,https://go.drugbank.com/drugs/DB01204,
DBoRL1367,Mitoxantrone (MTx),"1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione",OCCNCCNC1=CC=C(NCCNCCO)C2=C1C(=O)C1=C(O)C=CC(O)=C1C2=O,"InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2",KKZJGLLVHKMTCM-UHFFFAOYSA-N,C22H28N4O6,65271-80-9,444.488,0.651459895,8,10,12,3,RNA with motif: 5'CGG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,4212,Yes,Yes,Investigational,DB01204,https://go.drugbank.com/drugs/DB01204,
DBoRL1368,Mitoxantrone (MTx),"1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione",OCCNCCNC1=CC=C(NCCNCCO)C2=C1C(=O)C1=C(O)C=CC(O)=C1C2=O,"InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2",KKZJGLLVHKMTCM-UHFFFAOYSA-N,C22H28N4O6,65271-80-9,444.488,0.651459895,8,10,12,3,RNA with motif: 5'CCG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,4212,Yes,Yes,Investigational,DB01204,https://go.drugbank.com/drugs/DB01204,
DBoRL1369,Mitoxantrone (MTx),"1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione",OCCNCCNC1=CC=C(NCCNCCO)C2=C1C(=O)C1=C(O)C=CC(O)=C1C2=O,"InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2",KKZJGLLVHKMTCM-UHFFFAOYSA-N,C22H28N4O6,65271-80-9,444.488,0.651459895,8,10,12,3,RNA with motif: 5'CAG/3'GGC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,4212,Yes,Yes,Investigational,DB01204,https://go.drugbank.com/drugs/DB01204,
DBoRL1370,Acridine Orange (AO),"N3,N3,N6,N6-tetramethylacridine-3,6-diamine",CN(C)C1=CC2=NC3=CC(=CC=C3C=C2C=C1)N(C)C,"InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3",DPKHZNPWBDQZCN-UHFFFAOYSA-N,C17H19N3,494-38-2,265.36,3.722315271,0,3,2,3,RNA with motif: 5'CAG/3'GUC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,62344,No,No,,,,
DBoRL1371,Acridine Orange (AO),"N3,N3,N6,N6-tetramethylacridine-3,6-diamine",CN(C)C1=CC2=NC3=CC(=CC=C3C=C2C=C1)N(C)C,"InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3",DPKHZNPWBDQZCN-UHFFFAOYSA-N,C17H19N3,494-38-2,265.36,3.722315271,0,3,2,3,RNA with motif: 5'CUG/3'GUC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,62344,No,No,,,,
DBoRL1372,Acridine Orange (AO),"N3,N3,N6,N6-tetramethylacridine-3,6-diamine",CN(C)C1=CC2=NC3=CC(=CC=C3C=C2C=C1)N(C)C,"InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3",DPKHZNPWBDQZCN-UHFFFAOYSA-N,C17H19N3,494-38-2,265.36,3.722315271,0,3,2,3,RNA with motif: 5'CCG/3'GUC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,62344,No,No,,,,
DBoRL1373,Acridine Orange (AO),"N3,N3,N6,N6-tetramethylacridine-3,6-diamine",CN(C)C1=CC2=NC3=CC(=CC=C3C=C2C=C1)N(C)C,"InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3",DPKHZNPWBDQZCN-UHFFFAOYSA-N,C17H19N3,494-38-2,265.36,3.722315271,0,3,2,3,RNA with motif: 5'CGG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,62344,No,No,,,,
DBoRL1374,Acridine Orange (AO),"N3,N3,N6,N6-tetramethylacridine-3,6-diamine",CN(C)C1=CC2=NC3=CC(=CC=C3C=C2C=C1)N(C)C,"InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3",DPKHZNPWBDQZCN-UHFFFAOYSA-N,C17H19N3,494-38-2,265.36,3.722315271,0,3,2,3,RNA with motif: 5'CAG/3'GGC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,62344,No,No,,,,
DBoRL1375,Proflavin,"acridine-3,6-diamine",NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1,"InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2",WDVSHHCDHLJJJR-UHFFFAOYSA-N,C13H11N3,"92-62-6,1811-28-5",209.252,1.848375646,2,3,0,3,RNA with motif: 5'CAG/3'GUC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,7099,Yes,Yes,,DB01123,https://go.drugbank.com/drugs/DB01123,
DBoRL1376,Proflavin,"acridine-3,6-diamine",NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1,"InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2",WDVSHHCDHLJJJR-UHFFFAOYSA-N,C13H11N3,"92-62-6,1811-28-5",209.252,1.848375646,2,3,0,3,RNA with motif: 5'CCG/3'GCC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,7099,Yes,Yes,,DB01123,https://go.drugbank.com/drugs/DB01123,
DBoRL1377,Proflavin,"acridine-3,6-diamine",NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1,"InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2",WDVSHHCDHLJJJR-UHFFFAOYSA-N,C13H11N3,"92-62-6,1811-28-5",209.252,1.848375646,2,3,0,3,RNA with motif: 5'CAG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,7099,Yes,Yes,,DB01123,https://go.drugbank.com/drugs/DB01123,
DBoRL1378,Proflavin,"acridine-3,6-diamine",NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1,"InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2",WDVSHHCDHLJJJR-UHFFFAOYSA-N,C13H11N3,"92-62-6,1811-28-5",209.252,1.848375646,2,3,0,3,RNA with motif: 5'CGG/3'GGC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,7099,Yes,Yes,,DB01123,https://go.drugbank.com/drugs/DB01123,
DBoRL1379,Proflavin,"acridine-3,6-diamine",NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1,"InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2",WDVSHHCDHLJJJR-UHFFFAOYSA-N,C13H11N3,"92-62-6,1811-28-5",209.252,1.848375646,2,3,0,3,RNA with motif: 5'CUG/3'GCC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,7099,Yes,Yes,,DB01123,https://go.drugbank.com/drugs/DB01123,
DBoRL1380,Proflavin,"acridine-3,6-diamine",NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1,"InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2",WDVSHHCDHLJJJR-UHFFFAOYSA-N,C13H11N3,"92-62-6,1811-28-5",209.252,1.848375646,2,3,0,3,RNA with motif: 5'CAG/3'GCC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,7099,Yes,Yes,,DB01123,https://go.drugbank.com/drugs/DB01123,
DBoRL1381,Proflavin,"acridine-3,6-diamine",NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1,"InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2",WDVSHHCDHLJJJR-UHFFFAOYSA-N,C13H11N3,"92-62-6,1811-28-5",209.252,1.848375646,2,3,0,3,RNA with motif: 5'CCG/3'GUC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,7099,Yes,Yes,,DB01123,https://go.drugbank.com/drugs/DB01123,
DBoRL1382,Proflavin,"acridine-3,6-diamine",NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1,"InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2",WDVSHHCDHLJJJR-UHFFFAOYSA-N,C13H11N3,"92-62-6,1811-28-5",209.252,1.848375646,2,3,0,3,RNA with motif: 5'CGG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,7099,Yes,Yes,,DB01123,https://go.drugbank.com/drugs/DB01123,
DBoRL1383,Proflavin,"acridine-3,6-diamine",NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1,"InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2",WDVSHHCDHLJJJR-UHFFFAOYSA-N,C13H11N3,"92-62-6,1811-28-5",209.252,1.848375646,2,3,0,3,RNA with motif: 5'CCG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,7099,Yes,Yes,,DB01123,https://go.drugbank.com/drugs/DB01123,
DBoRL1384,Proflavin,"acridine-3,6-diamine",NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1,"InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2",WDVSHHCDHLJJJR-UHFFFAOYSA-N,C13H11N3,"92-62-6,1811-28-5",209.252,1.848375646,2,3,0,3,RNA with motif: 5'CAG/3'GGC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,7099,Yes,Yes,,DB01123,https://go.drugbank.com/drugs/DB01123,
DBoRL1385,Netrospin (NTSP),4-(4-{2-[(Z)-(aminomethylidene)amino]acetamido}-1-methyl-1H-pyrrole-2-amido)-N-(2-carbamimidoylethyl)-1-methyl-1H-pyrrole-2-carboxamide,CN1C=C(NC(=O)C2=CC(NC(=O)C\N=C/N)=CN2C)C=C1C(=O)NCCC(N)=N,"InChI=1S/C18H25N9O3/c1-26-9-12(6-13(26)17(29)23-4-3-15(20)21)25-18(30)14-5-11(8-27(14)2)24-16(28)7-22-10-19/h5-6,8-10H,3-4,7H2,1-2H3,(H2,19,22)(H3,20,21)(H,23,29)(H,24,28)(H,25,30)",JXEXWGKIEBLEQV-UHFFFAOYSA-N,C18H25N9O3,Not Found,415.458,-2.7274548,6,7,9,2,RNA with motif: 5'CCG/3'GCC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1386,Netrospin (NTSP),4-(4-{2-[(Z)-(aminomethylidene)amino]acetamido}-1-methyl-1H-pyrrole-2-amido)-N-(2-carbamimidoylethyl)-1-methyl-1H-pyrrole-2-carboxamide,CN1C=C(NC(=O)C2=CC(NC(=O)C\N=C/N)=CN2C)C=C1C(=O)NCCC(N)=N,"InChI=1S/C18H25N9O3/c1-26-9-12(6-13(26)17(29)23-4-3-15(20)21)25-18(30)14-5-11(8-27(14)2)24-16(28)7-22-10-19/h5-6,8-10H,3-4,7H2,1-2H3,(H2,19,22)(H3,20,21)(H,23,29)(H,24,28)(H,25,30)",JXEXWGKIEBLEQV-UHFFFAOYSA-N,C18H25N9O3,Not Found,415.458,-2.7274548,6,7,9,2,RNA with motif: 5'CAG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1387,Netrospin (NTSP),4-(4-{2-[(Z)-(aminomethylidene)amino]acetamido}-1-methyl-1H-pyrrole-2-amido)-N-(2-carbamimidoylethyl)-1-methyl-1H-pyrrole-2-carboxamide,CN1C=C(NC(=O)C2=CC(NC(=O)C\N=C/N)=CN2C)C=C1C(=O)NCCC(N)=N,"InChI=1S/C18H25N9O3/c1-26-9-12(6-13(26)17(29)23-4-3-15(20)21)25-18(30)14-5-11(8-27(14)2)24-16(28)7-22-10-19/h5-6,8-10H,3-4,7H2,1-2H3,(H2,19,22)(H3,20,21)(H,23,29)(H,24,28)(H,25,30)",JXEXWGKIEBLEQV-UHFFFAOYSA-N,C18H25N9O3,Not Found,415.458,-2.7274548,6,7,9,2,RNA with motif: 5'CGG/3'GGC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1388,Netrospin (NTSP),4-(4-{2-[(Z)-(aminomethylidene)amino]acetamido}-1-methyl-1H-pyrrole-2-amido)-N-(2-carbamimidoylethyl)-1-methyl-1H-pyrrole-2-carboxamide,CN1C=C(NC(=O)C2=CC(NC(=O)C\N=C/N)=CN2C)C=C1C(=O)NCCC(N)=N,"InChI=1S/C18H25N9O3/c1-26-9-12(6-13(26)17(29)23-4-3-15(20)21)25-18(30)14-5-11(8-27(14)2)24-16(28)7-22-10-19/h5-6,8-10H,3-4,7H2,1-2H3,(H2,19,22)(H3,20,21)(H,23,29)(H,24,28)(H,25,30)",JXEXWGKIEBLEQV-UHFFFAOYSA-N,C18H25N9O3,Not Found,415.458,-2.7274548,6,7,9,2,RNA with motif: 5'CUG/3'GCC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1389,Netrospin (NTSP),4-(4-{2-[(Z)-(aminomethylidene)amino]acetamido}-1-methyl-1H-pyrrole-2-amido)-N-(2-carbamimidoylethyl)-1-methyl-1H-pyrrole-2-carboxamide,CN1C=C(NC(=O)C2=CC(NC(=O)C\N=C/N)=CN2C)C=C1C(=O)NCCC(N)=N,"InChI=1S/C18H25N9O3/c1-26-9-12(6-13(26)17(29)23-4-3-15(20)21)25-18(30)14-5-11(8-27(14)2)24-16(28)7-22-10-19/h5-6,8-10H,3-4,7H2,1-2H3,(H2,19,22)(H3,20,21)(H,23,29)(H,24,28)(H,25,30)",JXEXWGKIEBLEQV-UHFFFAOYSA-N,C18H25N9O3,Not Found,415.458,-2.7274548,6,7,9,2,RNA with motif: 5'CCG/3'GUC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1390,Netrospin (NTSP),4-(4-{2-[(Z)-(aminomethylidene)amino]acetamido}-1-methyl-1H-pyrrole-2-amido)-N-(2-carbamimidoylethyl)-1-methyl-1H-pyrrole-2-carboxamide,CN1C=C(NC(=O)C2=CC(NC(=O)C\N=C/N)=CN2C)C=C1C(=O)NCCC(N)=N,"InChI=1S/C18H25N9O3/c1-26-9-12(6-13(26)17(29)23-4-3-15(20)21)25-18(30)14-5-11(8-27(14)2)24-16(28)7-22-10-19/h5-6,8-10H,3-4,7H2,1-2H3,(H2,19,22)(H3,20,21)(H,23,29)(H,24,28)(H,25,30)",JXEXWGKIEBLEQV-UHFFFAOYSA-N,C18H25N9O3,Not Found,415.458,-2.7274548,6,7,9,2,RNA with motif: 5'CGG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1391,Netrospin (NTSP),4-(4-{2-[(Z)-(aminomethylidene)amino]acetamido}-1-methyl-1H-pyrrole-2-amido)-N-(2-carbamimidoylethyl)-1-methyl-1H-pyrrole-2-carboxamide,CN1C=C(NC(=O)C2=CC(NC(=O)C\N=C/N)=CN2C)C=C1C(=O)NCCC(N)=N,"InChI=1S/C18H25N9O3/c1-26-9-12(6-13(26)17(29)23-4-3-15(20)21)25-18(30)14-5-11(8-27(14)2)24-16(28)7-22-10-19/h5-6,8-10H,3-4,7H2,1-2H3,(H2,19,22)(H3,20,21)(H,23,29)(H,24,28)(H,25,30)",JXEXWGKIEBLEQV-UHFFFAOYSA-N,C18H25N9O3,Not Found,415.458,-2.7274548,6,7,9,2,RNA with motif: 5'CCG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1392,DAPI-like compound D2,"6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1H-indol-3-amine",NC1=C(NC2=CC(=CC=C12)C1=NCCN1)C1=CC=C(C=C1)C1=NCCN1,"InChI=1S/C20H20N6/c21-17-15-6-5-14(20-24-9-10-25-20)11-16(15)26-18(17)12-1-3-13(4-2-12)19-22-7-8-23-19/h1-6,11,26H,7-10,21H2,(H,22,23)(H,24,25)",AAQCLYZAWSRWJM-UHFFFAOYSA-N,C20H20N6,Not Found,344.422,1.310766332,4,5,3,5,RNA with motif: 5'CAG/3'GUC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,434790,No,No,,,,
DBoRL1393,DAPI-like compound D2,"6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1H-indol-3-amine",NC1=C(NC2=CC(=CC=C12)C1=NCCN1)C1=CC=C(C=C1)C1=NCCN1,"InChI=1S/C20H20N6/c21-17-15-6-5-14(20-24-9-10-25-20)11-16(15)26-18(17)12-1-3-13(4-2-12)19-22-7-8-23-19/h1-6,11,26H,7-10,21H2,(H,22,23)(H,24,25)",AAQCLYZAWSRWJM-UHFFFAOYSA-N,C20H20N6,Not Found,344.422,1.310766332,4,5,3,5,RNA with motif: 5'CAG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,434790,No,No,,,,
DBoRL1394,DAPI-like compound D2,"6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1H-indol-3-amine",NC1=C(NC2=CC(=CC=C12)C1=NCCN1)C1=CC=C(C=C1)C1=NCCN1,"InChI=1S/C20H20N6/c21-17-15-6-5-14(20-24-9-10-25-20)11-16(15)26-18(17)12-1-3-13(4-2-12)19-22-7-8-23-19/h1-6,11,26H,7-10,21H2,(H,22,23)(H,24,25)",AAQCLYZAWSRWJM-UHFFFAOYSA-N,C20H20N6,Not Found,344.422,1.310766332,4,5,3,5,RNA with motif: 5'CCG/3'GCC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,434790,No,No,,,,
DBoRL1395,DAPI-like compound D2,"6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1H-indol-3-amine",NC1=C(NC2=CC(=CC=C12)C1=NCCN1)C1=CC=C(C=C1)C1=NCCN1,"InChI=1S/C20H20N6/c21-17-15-6-5-14(20-24-9-10-25-20)11-16(15)26-18(17)12-1-3-13(4-2-12)19-22-7-8-23-19/h1-6,11,26H,7-10,21H2,(H,22,23)(H,24,25)",AAQCLYZAWSRWJM-UHFFFAOYSA-N,C20H20N6,Not Found,344.422,1.310766332,4,5,3,5,RNA with motif: 5'CGG/3'GGC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,434790,No,No,,,,
DBoRL1396,DAPI-like compound D2,"6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1H-indol-3-amine",NC1=C(NC2=CC(=CC=C12)C1=NCCN1)C1=CC=C(C=C1)C1=NCCN1,"InChI=1S/C20H20N6/c21-17-15-6-5-14(20-24-9-10-25-20)11-16(15)26-18(17)12-1-3-13(4-2-12)19-22-7-8-23-19/h1-6,11,26H,7-10,21H2,(H,22,23)(H,24,25)",AAQCLYZAWSRWJM-UHFFFAOYSA-N,C20H20N6,Not Found,344.422,1.310766332,4,5,3,5,RNA with motif: 5'CUG/3'GCC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,434790,No,No,,,,
DBoRL1397,DAPI-like compound D2,"6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1H-indol-3-amine",NC1=C(NC2=CC(=CC=C12)C1=NCCN1)C1=CC=C(C=C1)C1=NCCN1,"InChI=1S/C20H20N6/c21-17-15-6-5-14(20-24-9-10-25-20)11-16(15)26-18(17)12-1-3-13(4-2-12)19-22-7-8-23-19/h1-6,11,26H,7-10,21H2,(H,22,23)(H,24,25)",AAQCLYZAWSRWJM-UHFFFAOYSA-N,C20H20N6,Not Found,344.422,1.310766332,4,5,3,5,RNA with motif: 5'CAG/3'GCC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,434790,No,No,,,,
DBoRL1398,DAPI-like compound D2,"6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1H-indol-3-amine",NC1=C(NC2=CC(=CC=C12)C1=NCCN1)C1=CC=C(C=C1)C1=NCCN1,"InChI=1S/C20H20N6/c21-17-15-6-5-14(20-24-9-10-25-20)11-16(15)26-18(17)12-1-3-13(4-2-12)19-22-7-8-23-19/h1-6,11,26H,7-10,21H2,(H,22,23)(H,24,25)",AAQCLYZAWSRWJM-UHFFFAOYSA-N,C20H20N6,Not Found,344.422,1.310766332,4,5,3,5,RNA with motif: 5'CGG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,434790,No,No,,,,
DBoRL1399,DAPI-like compound D2,"6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1H-indol-3-amine",NC1=C(NC2=CC(=CC=C12)C1=NCCN1)C1=CC=C(C=C1)C1=NCCN1,"InChI=1S/C20H20N6/c21-17-15-6-5-14(20-24-9-10-25-20)11-16(15)26-18(17)12-1-3-13(4-2-12)19-22-7-8-23-19/h1-6,11,26H,7-10,21H2,(H,22,23)(H,24,25)",AAQCLYZAWSRWJM-UHFFFAOYSA-N,C20H20N6,Not Found,344.422,1.310766332,4,5,3,5,RNA with motif: 5'CCG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,434790,No,No,,,,
DBoRL1400,DAPI-like compound D2,"6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1H-indol-3-amine",NC1=C(NC2=CC(=CC=C12)C1=NCCN1)C1=CC=C(C=C1)C1=NCCN1,"InChI=1S/C20H20N6/c21-17-15-6-5-14(20-24-9-10-25-20)11-16(15)26-18(17)12-1-3-13(4-2-12)19-22-7-8-23-19/h1-6,11,26H,7-10,21H2,(H,22,23)(H,24,25)",AAQCLYZAWSRWJM-UHFFFAOYSA-N,C20H20N6,Not Found,344.422,1.310766332,4,5,3,5,RNA with motif: 5'CAG/3'GGC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,434790,No,No,,,,
DBoRL1401,DAPI-like compound D6,4-carbamimidamidophenyl 4-carbamimidamidobenzoate,NC(=N)NC1=CC=C(OC(=O)C2=CC=C(NC(N)=N)C=C2)C=C1,"InChI=1S/C15H16N6O2/c16-14(17)20-10-3-1-9(2-4-10)13(22)23-12-7-5-11(6-8-12)21-15(18)19/h1-8H,(H4,16,17,20)(H4,18,19,21)",JXJBQAMLLCEHTI-UHFFFAOYSA-N,C15H16N6O2,Not Found,312.333,1.582667256,6,7,5,2,RNA with motif: 5'CAG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,427880,No,No,,,,
DBoRL1402,DAPI-like compound D6,4-carbamimidamidophenyl 4-carbamimidamidobenzoate,NC(=N)NC1=CC=C(OC(=O)C2=CC=C(NC(N)=N)C=C2)C=C1,"InChI=1S/C15H16N6O2/c16-14(17)20-10-3-1-9(2-4-10)13(22)23-12-7-5-11(6-8-12)21-15(18)19/h1-8H,(H4,16,17,20)(H4,18,19,21)",JXJBQAMLLCEHTI-UHFFFAOYSA-N,C15H16N6O2,Not Found,312.333,1.582667256,6,7,5,2,RNA with motif: 5'CAG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,427880,No,No,,,,
DBoRL1403,DAPI-like compound D1,2-{4-[(4-carbamimidoylphenyl)amino]phenyl}-1-benzofuran-5-carboximidamide,NC(=N)C1=CC=C(NC2=CC=C(C=C2)C2=CC3=CC(=CC=C3O2)C(N)=N)C=C1,"InChI=1S/C22H19N5O/c23-21(24)14-3-8-18(9-4-14)27-17-6-1-13(2-7-17)20-12-16-11-15(22(25)26)5-10-19(16)28-20/h1-12,27H,(H3,23,24)(H3,25,26)",ICAZVRBFRHYGHB-UHFFFAOYSA-N,C22H19N5O,Not Found,369.428,2.980458426,5,5,5,4,RNA with motif: 5'CAG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1404,DAPI-like compound D1,2-{4-[(4-carbamimidoylphenyl)amino]phenyl}-1-benzofuran-5-carboximidamide,NC(=N)C1=CC=C(NC2=CC=C(C=C2)C2=CC3=CC(=CC=C3O2)C(N)=N)C=C1,"InChI=1S/C22H19N5O/c23-21(24)14-3-8-18(9-4-14)27-17-6-1-13(2-7-17)20-12-16-11-15(22(25)26)5-10-19(16)28-20/h1-12,27H,(H3,23,24)(H3,25,26)",ICAZVRBFRHYGHB-UHFFFAOYSA-N,C22H19N5O,Not Found,369.428,2.980458426,5,5,5,4,RNA with motif: 5'CAG/3'GUC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1405,DAPI-like compound D1,2-{4-[(4-carbamimidoylphenyl)amino]phenyl}-1-benzofuran-5-carboximidamide,NC(=N)C1=CC=C(NC2=CC=C(C=C2)C2=CC3=CC(=CC=C3O2)C(N)=N)C=C1,"InChI=1S/C22H19N5O/c23-21(24)14-3-8-18(9-4-14)27-17-6-1-13(2-7-17)20-12-16-11-15(22(25)26)5-10-19(16)28-20/h1-12,27H,(H3,23,24)(H3,25,26)",ICAZVRBFRHYGHB-UHFFFAOYSA-N,C22H19N5O,Not Found,369.428,2.980458426,5,5,5,4,RNA with motif: 5'CUG/3'GUC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1406,DAPI-like compound D1,2-{4-[(4-carbamimidoylphenyl)amino]phenyl}-1-benzofuran-5-carboximidamide,NC(=N)C1=CC=C(NC2=CC=C(C=C2)C2=CC3=CC(=CC=C3O2)C(N)=N)C=C1,"InChI=1S/C22H19N5O/c23-21(24)14-3-8-18(9-4-14)27-17-6-1-13(2-7-17)20-12-16-11-15(22(25)26)5-10-19(16)28-20/h1-12,27H,(H3,23,24)(H3,25,26)",ICAZVRBFRHYGHB-UHFFFAOYSA-N,C22H19N5O,Not Found,369.428,2.980458426,5,5,5,4,RNA with motif: 5'CCG/3'GCC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1407,DAPI-like compound D1,2-{4-[(4-carbamimidoylphenyl)amino]phenyl}-1-benzofuran-5-carboximidamide,NC(=N)C1=CC=C(NC2=CC=C(C=C2)C2=CC3=CC(=CC=C3O2)C(N)=N)C=C1,"InChI=1S/C22H19N5O/c23-21(24)14-3-8-18(9-4-14)27-17-6-1-13(2-7-17)20-12-16-11-15(22(25)26)5-10-19(16)28-20/h1-12,27H,(H3,23,24)(H3,25,26)",ICAZVRBFRHYGHB-UHFFFAOYSA-N,C22H19N5O,Not Found,369.428,2.980458426,5,5,5,4,RNA with motif: 5'CAG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1408,DAPI-like compound D1,2-{4-[(4-carbamimidoylphenyl)amino]phenyl}-1-benzofuran-5-carboximidamide,NC(=N)C1=CC=C(NC2=CC=C(C=C2)C2=CC3=CC(=CC=C3O2)C(N)=N)C=C1,"InChI=1S/C22H19N5O/c23-21(24)14-3-8-18(9-4-14)27-17-6-1-13(2-7-17)20-12-16-11-15(22(25)26)5-10-19(16)28-20/h1-12,27H,(H3,23,24)(H3,25,26)",ICAZVRBFRHYGHB-UHFFFAOYSA-N,C22H19N5O,Not Found,369.428,2.980458426,5,5,5,4,RNA with motif: 5'CGG/3'GGC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1409,DAPI-like compound D1,2-{4-[(4-carbamimidoylphenyl)amino]phenyl}-1-benzofuran-5-carboximidamide,NC(=N)C1=CC=C(NC2=CC=C(C=C2)C2=CC3=CC(=CC=C3O2)C(N)=N)C=C1,"InChI=1S/C22H19N5O/c23-21(24)14-3-8-18(9-4-14)27-17-6-1-13(2-7-17)20-12-16-11-15(22(25)26)5-10-19(16)28-20/h1-12,27H,(H3,23,24)(H3,25,26)",ICAZVRBFRHYGHB-UHFFFAOYSA-N,C22H19N5O,Not Found,369.428,2.980458426,5,5,5,4,RNA with motif: 5'CUG/3'GCC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1410,DAPI-like compound D1,2-{4-[(4-carbamimidoylphenyl)amino]phenyl}-1-benzofuran-5-carboximidamide,NC(=N)C1=CC=C(NC2=CC=C(C=C2)C2=CC3=CC(=CC=C3O2)C(N)=N)C=C1,"InChI=1S/C22H19N5O/c23-21(24)14-3-8-18(9-4-14)27-17-6-1-13(2-7-17)20-12-16-11-15(22(25)26)5-10-19(16)28-20/h1-12,27H,(H3,23,24)(H3,25,26)",ICAZVRBFRHYGHB-UHFFFAOYSA-N,C22H19N5O,Not Found,369.428,2.980458426,5,5,5,4,RNA with motif: 5'CAG/3'GCC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1411,DAPI-like compound D1,2-{4-[(4-carbamimidoylphenyl)amino]phenyl}-1-benzofuran-5-carboximidamide,NC(=N)C1=CC=C(NC2=CC=C(C=C2)C2=CC3=CC(=CC=C3O2)C(N)=N)C=C1,"InChI=1S/C22H19N5O/c23-21(24)14-3-8-18(9-4-14)27-17-6-1-13(2-7-17)20-12-16-11-15(22(25)26)5-10-19(16)28-20/h1-12,27H,(H3,23,24)(H3,25,26)",ICAZVRBFRHYGHB-UHFFFAOYSA-N,C22H19N5O,Not Found,369.428,2.980458426,5,5,5,4,RNA with motif: 5'CGG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1412,DAPI-like compound D1,2-{4-[(4-carbamimidoylphenyl)amino]phenyl}-1-benzofuran-5-carboximidamide,NC(=N)C1=CC=C(NC2=CC=C(C=C2)C2=CC3=CC(=CC=C3O2)C(N)=N)C=C1,"InChI=1S/C22H19N5O/c23-21(24)14-3-8-18(9-4-14)27-17-6-1-13(2-7-17)20-12-16-11-15(22(25)26)5-10-19(16)28-20/h1-12,27H,(H3,23,24)(H3,25,26)",ICAZVRBFRHYGHB-UHFFFAOYSA-N,C22H19N5O,Not Found,369.428,2.980458426,5,5,5,4,RNA with motif: 5'CCG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1413,DAPI-like compound D1,2-{4-[(4-carbamimidoylphenyl)amino]phenyl}-1-benzofuran-5-carboximidamide,NC(=N)C1=CC=C(NC2=CC=C(C=C2)C2=CC3=CC(=CC=C3O2)C(N)=N)C=C1,"InChI=1S/C22H19N5O/c23-21(24)14-3-8-18(9-4-14)27-17-6-1-13(2-7-17)20-12-16-11-15(22(25)26)5-10-19(16)28-20/h1-12,27H,(H3,23,24)(H3,25,26)",ICAZVRBFRHYGHB-UHFFFAOYSA-N,C22H19N5O,Not Found,369.428,2.980458426,5,5,5,4,RNA with motif: 5'CAG/3'GGC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1414,DAPI-like compound D9,2-(4-methoxyphenyl)-1H-indole,COC1=CC=C(C=C1)C1=CC2=CC=CC=C2N1,"InChI=1S/C15H13NO/c1-17-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)16-15/h2-10,16H,1H3",BHCBPEBRFMLOND-UHFFFAOYSA-N,C15H13NO,5784-95-2,223.275,3.481563029,1,1,2,3,RNA with motif: 5'CAG/3'GUC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,231244,No,No,,,,
DBoRL1415,DAPI-like compound D9,2-(4-methoxyphenyl)-1H-indole,COC1=CC=C(C=C1)C1=CC2=CC=CC=C2N1,"InChI=1S/C15H13NO/c1-17-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)16-15/h2-10,16H,1H3",BHCBPEBRFMLOND-UHFFFAOYSA-N,C15H13NO,5784-95-2,223.275,3.481563029,1,1,2,3,RNA with motif: 5'CUG/3'GUC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,231244,No,No,,,,
DBoRL1416,DAPI-like compound D9,2-(4-methoxyphenyl)-1H-indole,COC1=CC=C(C=C1)C1=CC2=CC=CC=C2N1,"InChI=1S/C15H13NO/c1-17-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)16-15/h2-10,16H,1H3",BHCBPEBRFMLOND-UHFFFAOYSA-N,C15H13NO,5784-95-2,223.275,3.481563029,1,1,2,3,RNA with motif: 5'CGG/3'GGC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,231244,No,No,,,,
DBoRL1417,DAPI-like compound D9,2-(4-methoxyphenyl)-1H-indole,COC1=CC=C(C=C1)C1=CC2=CC=CC=C2N1,"InChI=1S/C15H13NO/c1-17-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)16-15/h2-10,16H,1H3",BHCBPEBRFMLOND-UHFFFAOYSA-N,C15H13NO,5784-95-2,223.275,3.481563029,1,1,2,3,RNA with motif: 5'CUG/3'GCC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,231244,No,No,,,,
DBoRL1418,DAPI-like compound D9,2-(4-methoxyphenyl)-1H-indole,COC1=CC=C(C=C1)C1=CC2=CC=CC=C2N1,"InChI=1S/C15H13NO/c1-17-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)16-15/h2-10,16H,1H3",BHCBPEBRFMLOND-UHFFFAOYSA-N,C15H13NO,5784-95-2,223.275,3.481563029,1,1,2,3,RNA with motif: 5'CAG/3'GCC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,231244,No,No,,,,
DBoRL1419,DAPI-like compound D9,2-(4-methoxyphenyl)-1H-indole,COC1=CC=C(C=C1)C1=CC2=CC=CC=C2N1,"InChI=1S/C15H13NO/c1-17-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)16-15/h2-10,16H,1H3",BHCBPEBRFMLOND-UHFFFAOYSA-N,C15H13NO,5784-95-2,223.275,3.481563029,1,1,2,3,RNA with motif: 5'CGG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,231244,No,No,,,,
DBoRL1420,DAPI-like compound D9,2-(4-methoxyphenyl)-1H-indole,COC1=CC=C(C=C1)C1=CC2=CC=CC=C2N1,"InChI=1S/C15H13NO/c1-17-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)16-15/h2-10,16H,1H3",BHCBPEBRFMLOND-UHFFFAOYSA-N,C15H13NO,5784-95-2,223.275,3.481563029,1,1,2,3,RNA with motif: 5'CCG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,231244,No,No,,,,
DBoRL1421,DAPI-like compound D9,2-(4-methoxyphenyl)-1H-indole,COC1=CC=C(C=C1)C1=CC2=CC=CC=C2N1,"InChI=1S/C15H13NO/c1-17-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)16-15/h2-10,16H,1H3",BHCBPEBRFMLOND-UHFFFAOYSA-N,C15H13NO,5784-95-2,223.275,3.481563029,1,1,2,3,RNA with motif: 5'CAG/3'GGC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,231244,No,No,,,,
DBoRL1422,DAPI-like compound D3,"4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]aniline",NC1=CC=C(C=C1)C1=CC2=CC(=CC=C2N1)C1=NCCN1,"InChI=1S/C17H16N4/c18-14-4-1-11(2-5-14)16-10-13-9-12(3-6-15(13)21-16)17-19-7-8-20-17/h1-6,9-10,21H,7-8,18H2,(H,19,20)",YYNSTYFWSJOERQ-UHFFFAOYSA-N,C17H16N4,Not Found,276.343,2.060537336,3,3,2,4,RNA with motif: 5'CAG/3'GUC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1423,DAPI-like compound D3,"4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]aniline",NC1=CC=C(C=C1)C1=CC2=CC(=CC=C2N1)C1=NCCN1,"InChI=1S/C17H16N4/c18-14-4-1-11(2-5-14)16-10-13-9-12(3-6-15(13)21-16)17-19-7-8-20-17/h1-6,9-10,21H,7-8,18H2,(H,19,20)",YYNSTYFWSJOERQ-UHFFFAOYSA-N,C17H16N4,Not Found,276.343,2.060537336,3,3,2,4,RNA with motif: 5'CCG/3'GCC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1424,DAPI-like compound D3,"4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]aniline",NC1=CC=C(C=C1)C1=CC2=CC(=CC=C2N1)C1=NCCN1,"InChI=1S/C17H16N4/c18-14-4-1-11(2-5-14)16-10-13-9-12(3-6-15(13)21-16)17-19-7-8-20-17/h1-6,9-10,21H,7-8,18H2,(H,19,20)",YYNSTYFWSJOERQ-UHFFFAOYSA-N,C17H16N4,Not Found,276.343,2.060537336,3,3,2,4,RNA with motif: 5'CAG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1425,DAPI-like compound D3,"4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]aniline",NC1=CC=C(C=C1)C1=CC2=CC(=CC=C2N1)C1=NCCN1,"InChI=1S/C17H16N4/c18-14-4-1-11(2-5-14)16-10-13-9-12(3-6-15(13)21-16)17-19-7-8-20-17/h1-6,9-10,21H,7-8,18H2,(H,19,20)",YYNSTYFWSJOERQ-UHFFFAOYSA-N,C17H16N4,Not Found,276.343,2.060537336,3,3,2,4,RNA with motif: 5'CGG/3'GGC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1426,DAPI-like compound D3,"4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]aniline",NC1=CC=C(C=C1)C1=CC2=CC(=CC=C2N1)C1=NCCN1,"InChI=1S/C17H16N4/c18-14-4-1-11(2-5-14)16-10-13-9-12(3-6-15(13)21-16)17-19-7-8-20-17/h1-6,9-10,21H,7-8,18H2,(H,19,20)",YYNSTYFWSJOERQ-UHFFFAOYSA-N,C17H16N4,Not Found,276.343,2.060537336,3,3,2,4,RNA with motif: 5'CUG/3'GCC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1427,DAPI-like compound D3,"4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]aniline",NC1=CC=C(C=C1)C1=CC2=CC(=CC=C2N1)C1=NCCN1,"InChI=1S/C17H16N4/c18-14-4-1-11(2-5-14)16-10-13-9-12(3-6-15(13)21-16)17-19-7-8-20-17/h1-6,9-10,21H,7-8,18H2,(H,19,20)",YYNSTYFWSJOERQ-UHFFFAOYSA-N,C17H16N4,Not Found,276.343,2.060537336,3,3,2,4,RNA with motif: 5'CAG/3'GCC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1428,DAPI-like compound D3,"4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]aniline",NC1=CC=C(C=C1)C1=CC2=CC(=CC=C2N1)C1=NCCN1,"InChI=1S/C17H16N4/c18-14-4-1-11(2-5-14)16-10-13-9-12(3-6-15(13)21-16)17-19-7-8-20-17/h1-6,9-10,21H,7-8,18H2,(H,19,20)",YYNSTYFWSJOERQ-UHFFFAOYSA-N,C17H16N4,Not Found,276.343,2.060537336,3,3,2,4,RNA with motif: 5'CGG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1429,DAPI-like compound D3,"4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]aniline",NC1=CC=C(C=C1)C1=CC2=CC(=CC=C2N1)C1=NCCN1,"InChI=1S/C17H16N4/c18-14-4-1-11(2-5-14)16-10-13-9-12(3-6-15(13)21-16)17-19-7-8-20-17/h1-6,9-10,21H,7-8,18H2,(H,19,20)",YYNSTYFWSJOERQ-UHFFFAOYSA-N,C17H16N4,Not Found,276.343,2.060537336,3,3,2,4,RNA with motif: 5'CCG/3'GAC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1430,DAPI-like compound D3,"4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]aniline",NC1=CC=C(C=C1)C1=CC2=CC(=CC=C2N1)C1=NCCN1,"InChI=1S/C17H16N4/c18-14-4-1-11(2-5-14)16-10-13-9-12(3-6-15(13)21-16)17-19-7-8-20-17/h1-6,9-10,21H,7-8,18H2,(H,19,20)",YYNSTYFWSJOERQ-UHFFFAOYSA-N,C17H16N4,Not Found,276.343,2.060537336,3,3,2,4,RNA with motif: 5'CAG/3'GGC,The compound is a small molecule that binds to 1?1 nucleotide of RNA internal loop. The compound is responsible for chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1431,[4-(Diaminomethylideneamino)phenyl] 4-(diaminomethylideneamino)benzoate,4-[(diaminomethylidene)amino]phenyl 4-[(diaminomethylidene)amino]benzoate,NC(N)=Nc1ccc(OC(=O)c2ccc(N=C(N)N)cc2)cc1,"InChI=1S/C15H16N6O2/c16-14(17)20-10-3-1-9(2-4-10)13(22)23-12-7-5-11(6-8-12)21-15(18)19/h1-8H,(H4,16,17,20)(H4,18,19,21)",JXJBQAMLLCEHTI-UHFFFAOYSA-N,C15H16N6O2,Not Found,312.333,0.846039009,4,7,5,2,5'CAG/3'GAC,The expanded r(CAG) triplet repeats (r(CAG)exp) associated with untreatable neurological diseases cause pre-mRNA mis-splicing likely due to sequestration of muscleblind-like 1 (MBNL1) splicing factor. [4-(Diaminomethylideneamino)phenyl] 4-(diaminomethylideneamino)benzoate binds with 5'CAG/3'GUC and inhibits Muscleblind-like 1 (MBNL) protein binding. This way pre-mRNA splicing defects become corrected.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,427880,No,No,,,,
DBoRL1432,"1H-Imidazole, 2,2'-(1-triazene-1,3-diyldi-4,1-phenylene)bis(4,5-dihydro-","2-(4-{3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]triaz-1-en-1-yl}phenyl)-4,5-dihydro-1H-imidazole",c1cc(C2=NCCN2)ccc1N=NNc1ccc(C2=NCCN2)cc1,"InChI=1S/C18H19N7/c1-5-15(6-2-13(1)17-19-9-10-20-17)23-25-24-16-7-3-14(4-8-16)18-21-11-12-22-18/h1-8H,9-12H2,(H,19,20)(H,21,22)(H,23,24)",FOFCDMDAIMOVIG-UHFFFAOYSA-N,C18H19N7,87550-55-8,333.399,2.42247314,3,7,5,4,5'CAG/3'GAC,"The expanded r(CAG) triplet repeats (r(CAG)exp) associated with untreatable neurological diseases cause pre-mRNA mis-splicing likely due to sequestration of muscleblind-like 1 (MBNL1) splicing factor. 1H-Imidazole, 2,2'-(1-triazene-1,3-diyldi-4,1-phenylene)bis(4,5-dihydro- binds with 5'CAG/3'GUC and inhibits Muscleblind-like 1 (MBNL) protein binding. This way pre-mRNA splicing defects become corrected.",22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,3071251,No,No,,,,
DBoRL1433,2-(4-Methoxyphenyl)-1H-indole,2-(4-methoxyphenyl)-1H-indole,COc1ccc(-c2cc3ccccc3[nH]2)cc1,"InChI=1S/C15H13NO/c1-17-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)16-15/h2-10,16H,1H3",BHCBPEBRFMLOND-UHFFFAOYSA-N,C15H13NO,5784-95-2,223.275,3.481563029,1,1,2,3,5'CAG/3'GAC,The expanded r(CAG) triplet repeats (r(CAG)exp) associated with untreatable neurological diseases cause pre-mRNA mis-splicing likely due to sequestration of muscleblind-like 1 (MBNL1) splicing factor. 2-(4-Methoxyphenyl)-1H-indole binds with 5'CAG/3'GUC and inhibits Muscleblind-like 1 (MBNL) protein binding. This way pre-mRNA splicing defects become corrected.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,231244,No,No,,,,
DBoRL1434,"6-(4,5-Dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1H-indol-3-amine","6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1H-indol-3-amine",Nc1c(-c2ccc(C3=NCCN3)cc2)[nH]c2cc(C3=NCCN3)ccc12,"InChI=1S/C20H20N6/c21-17-15-6-5-14(20-24-9-10-25-20)11-16(15)26-18(17)12-1-3-13(4-2-12)19-22-7-8-23-19/h1-6,11,26H,7-10,21H2,(H,22,23)(H,24,25)",AAQCLYZAWSRWJM-UHFFFAOYSA-N,C20H20N6,Not Found,344.422,1.310766332,4,5,3,5,5'CAG/3'GUC,"The expanded r(CAG) triplet repeats (r(CAG)exp) associated with untreatable neurological diseases cause pre-mRNA mis-splicing likely due to sequestration of muscleblind-like 1 (MBNL1) splicing factor. 6-(4,5-Dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1H-indol-3-amine binds with 5'CAG/3'GUC and inhibits Muscleblind-like 1 (MBNL) protein binding. This way pre-mRNA splicing defects become corrected.",22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,434790,No,No,,,,
DBoRL1435,Acridine orange,"N3,N3,N6,N6-tetramethylacridine-3,6-diamine",CN(C)c1ccc2cc3ccc(N(C)C)cc3nc2c1,"InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3",DPKHZNPWBDQZCN-UHFFFAOYSA-N,C17H19N3,494-38-2,265.36,3.722315271,0,3,2,3,5'CAG/3'GUC,The expanded r(CAG) triplet repeats (r(CAG)exp) associated with untreatable neurological diseases cause pre-mRNA mis-splicing likely due to sequestration of muscleblind-like 1 (MBNL1) splicing factor. Acridine orange binds with 5'CAG/3'GUC and inhibits Muscleblind-like 1 (MBNL) protein binding. This way pre-mRNA splicing defects become corrected.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,62344,No,No,,,,
DBoRL1436,CHEMBL77633,N''-[4-({4-[(diaminomethylidene)amino]phenyl}methyl)phenyl]guanidine,NC(N)=Nc1ccc(Cc2ccc(N=C(N)N)cc2)cc1,"InChI=1S/C15H18N6/c16-14(17)20-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)21-15(18)19/h1-8H,9H2,(H4,16,17,20)(H4,18,19,21)",VPFQDYYIEBRWAW-UHFFFAOYSA-N,C15H18N6,7773-73-1,282.351,1.276397624,4,6,4,2,5'CAG/3'GAC,The expanded r(CAG) triplet repeats (r(CAG)exp) associated with untreatable neurological diseases cause pre-mRNA mis-splicing likely due to sequestration of muscleblind-like 1 (MBNL1) splicing factor. CHEMBL77633 binds with 5'CAG/3'GUC and inhibits Muscleblind-like 1 (MBNL) protein binding. This way pre-mRNA splicing defects become corrected.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,24484,No,No,,,,
DBoRL1437,DAPI-like compound D1,2-{4-[(4-carbamimidoylphenyl)amino]phenyl}-1-benzofuran-5-carboximidamide,N=C(N)c1ccc(Nc2ccc(-c3cc4cc(C(=N)N)ccc4o3)cc2)cc1,"InChI=1S/C22H19N5O/c23-21(24)14-3-8-18(9-4-14)27-17-6-1-13(2-7-17)20-12-16-11-15(22(25)26)5-10-19(16)28-20/h1-12,27H,(H3,23,24)(H3,25,26)",ICAZVRBFRHYGHB-UHFFFAOYSA-N,C22H19N5O,Not Found,369.428,2.980458426,5,5,5,4,5'CAG/3'GAC,The expanded r(CAG) triplet repeats (r(CAG)exp) associated with untreatable neurological diseases cause pre-mRNA mis-splicing likely due to sequestration of muscleblind-like 1 (MBNL1) splicing factor. DAPI-like compound D1 binds with 5'CAG/3'GUC and inhibits Muscleblind-like 1 (MBNL) protein binding. This way pre-mRNA splicing defects become corrected.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1438,DAPI-like compound D3,"4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]aniline",Nc1ccc(-c2cc3cc(C4=NCCN4)ccc3[nH]2)cc1,"InChI=1S/C17H16N4/c18-14-4-1-11(2-5-14)16-10-13-9-12(3-6-15(13)21-16)17-19-7-8-20-17/h1-6,9-10,21H,7-8,18H2,(H,19,20)",YYNSTYFWSJOERQ-UHFFFAOYSA-N,C17H16N4,Not Found,276.343,2.060537336,3,3,2,4,5'CAG/3'GUC,The expanded r(CAG) triplet repeats (r(CAG)exp) associated with untreatable neurological diseases cause pre-mRNA mis-splicing likely due to sequestration of muscleblind-like 1 (MBNL1) splicing factor. DAPI-like compound D3 binds with 5'CAG/3'GUC and inhibits Muscleblind-like 1 (MBNL) protein binding. This way pre-mRNA splicing defects become corrected.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1439,DNM,"8-acetyl-10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-1-methoxy-5,5a,7,8,9,10,11a,12-octahydrotetracene-5,12-dione",COc1cccc2c1C(=O)C1C(O)=C3C(=C(O)C1C2=O)CC(O)(C(C)=O)CC3OC1CC(N)C(O)C(C)O1,"InChI=1/C27H31NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,20-22,30,32,34-35H,7-9,28H2,1-3H3",CZMUAVFPZPOHSI-UHFFFAOYNA-N,C27H31NO10,Not Found,529.542,-3.433533648,5,11,4,5,5'CCG/3'GAC,The expanded r(CAG) triplet repeats (r(CAG)exp) associated with untreatable neurological diseases cause pre-mRNA mis-splicing likely due to sequestration of muscleblind-like 1 (MBNL1) splicing factor. DNM binds with 5'CAG/3'GUC and inhibits Muscleblind-like 1 (MBNL) protein binding. This way pre-mRNA splicing defects become corrected.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1440,Netrospin,4-(4-{2-[(aminomethylidene)amino]acetamido}-1-methyl-1H-pyrrole-2-amido)-N-(2-carbamimidoylethyl)-1-methyl-1H-pyrrole-2-carboxamide,Cn1cc(NC(=O)c2cc(NC(=O)CN=CN)cn2C)cc1C(=O)NCCC(=N)N,"InChI=1S/C18H25N9O3/c1-26-9-12(6-13(26)17(29)23-4-3-15(20)21)25-18(30)14-5-11(8-27(14)2)24-16(28)7-22-10-19/h5-6,8-10H,3-4,7H2,1-2H3,(H2,19,22)(H3,20,21)(H,23,29)(H,24,28)(H,25,30)",JXEXWGKIEBLEQV-UHFFFAOYSA-N,C18H25N9O3,Not Found,415.458,-2.7274548,6,7,9,2,5'CCG/3'GCC,The expanded r(CAG) triplet repeats (r(CAG)exp) associated with untreatable neurological diseases cause pre-mRNA mis-splicing likely due to sequestration of muscleblind-like 1 (MBNL1) splicing factor. Netrospin binds with 5'CAG/3'GUC and inhibits Muscleblind-like 1 (MBNL) protein binding. This way pre-mRNA splicing defects become corrected.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,Not Found,No,No,,,,
DBoRL1441,TmPyP4,"1-methyl-4-[7,12,17-tris(1-methylpyridin-1-ium-4-yl)-21,22,23,24-tetraazapentacyclo[16.2.1.1?,?.1?,??.1??,??]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]pyridin-1-ium",C[N+]1=CC=C(C=C1)C1=C2\C=CC(=N2)\C(=C2/N\C(\C=C2)=C(/C2=N/C(/C=C2)=C(\C2=CC=C\1N2)C1=CC=[N+](C)C=C1)C1=CC=[N+](C)C=C1)\C1=CC=[N+](C)C=C1,"InChI=1S/C44H37N8/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31/h5-28H,1-4H3,(H,45,46,47,48)/q+3/p+1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-",ABCGFHPGHXSVKI-LWQDQPMZSA-O,C44H38N8,Not Found,678.842,-9.423182477,2,2,4,9,5'-[r(GAGGGAGGGAGGGAGAGGGA)]-3',The porphyrin TmPyP4 unfolds the extremely stable G-quadruplex in MT3-MMP mRNA and alleviates its repressive effect to enhance translation in eukaryotic cells.,22266651,,,,,,"Morris MJ, Wingate KL, Silwal J, Leeper TC, Basu S. The porphyrin TmPyP4 unfolds the extremely stable G-quadruplex in MT3-MMP mRNA and alleviates its repressive effect to enhance translation in eukaryotic cells. Nucleic Acids Res. 2012 May;40(9):4137-45. doi: 10.1093/nar/gkr1308. Epub 2012 Jan 20. PMID: 22266651; PMCID: PMC3351169.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22266651/,,,,,,4234,No,No,,,,
DBoRL1442,Daidzin,"3-(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one",O=c1c(-c2ccc(O)cc2)coc2cc(OC3OC(CO)C(O)C(O)C3O)ccc12,"InChI=1/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2",KYQZWONCHDNPDP-UHFFFAOYNA-N,C21H20O9,Not Found,416.382,0.462369618,5,9,4,4,JEV fsRNA1 stem-loop structure,Daidzin binds with JEV fsRNA1 stem-loop structure and inactivate the virus.,22276167,,,,,,"Zhang T, Wu Z, Du J, Hu Y, Liu L, Yang F, Jin Q. Anti-Japanese-encephalitis-viral effects of kaempferol and daidzin and their RNA-binding characteristics. PLoS One. 2012;7(1):e30259. doi: 10.1371/journal.pone.0030259. Epub 2012 Jan 20. PMID: 22276167; PMCID: PMC3262791.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22276167/,,,,,,4183640,Yes,No,Experimental,DB02115,https://go.drugbank.com/drugs/DB02115,
DBoRL1443,Daidzin ,"3-(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one",OCC1OC(OC2=CC=C3C(=O)C(=COC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2",KYQZWONCHDNPDP-UHFFFAOYNA-N,C21H20O9,Not Found,416.382,0.462369618,5,9,4,4,JEV fsRNA1 (MW 6048 Da) stem-loop structure: 5'-[GGGCCUUCUGGUGAUGUUU]-3',The molecule exhibits Anti-Japanese-Encephalitis-Viral effects by bind with Japanese-Encephalitis RNA. Please see the reference for more details.,22276167,,,,,,"Zhang T, Wu Z, Du J, Hu Y, Liu L, Yang F, Jin Q. Anti-Japanese-encephalitis-viral effects of kaempferol and daidzin and their RNA-binding characteristics. PLoS One. 2012;7(1):e30259. doi: 10.1371/journal.pone.0030259. Epub 2012 Jan 20. PMID: 22276167; PMCID: PMC3262791.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22276167/,,,,,,4183640,Yes,No,Experimental,DB02115,https://go.drugbank.com/drugs/DB02115,
DBoRL1444,Daidzin ,"3-(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one",OCC1OC(OC2=CC=C3C(=O)C(=COC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2",KYQZWONCHDNPDP-UHFFFAOYNA-N,C21H20O9,Not Found,416.382,0.462369618,5,9,4,4,JEV fsRNA2 (MW 5423 Da) stem-loop structure: 5'-[GGCCACCCAGGAAGUCC]-3',The molecule exhibits Anti-Japanese-Encephalitis-Viral effects by bind with Japanese-Encephalitis RNA. Please see the reference for more details.,22276167,,,,,,"Zhang T, Wu Z, Du J, Hu Y, Liu L, Yang F, Jin Q. Anti-Japanese-encephalitis-viral effects of kaempferol and daidzin and their RNA-binding characteristics. PLoS One. 2012;7(1):e30259. doi: 10.1371/journal.pone.0030259. Epub 2012 Jan 20. PMID: 22276167; PMCID: PMC3262791.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22276167/,,,,,,4183640,Yes,No,Experimental,DB02115,https://go.drugbank.com/drugs/DB02115,
DBoRL1445,Daidzin ,"3-(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one",OCC1OC(OC2=CC=C3C(=O)C(=COC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O,"InChI=1/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2",KYQZWONCHDNPDP-UHFFFAOYNA-N,C21H20O9,Not Found,416.382,0.462369618,5,9,4,4,"JEV fsRNA3, (49 nt, 3555?3604 nt) stem-loop structure: 5'-[CCUUUUCAGCUGGGCCUUCUGGUGAUGUUUCUGGCCACCCAGGAAGUCC]-3'",The molecule exhibits Anti-Japanese-Encephalitis-Viral effects by bind with Japanese-Encephalitis RNA. Please see the reference for more details.,22276167,,,,,,"Zhang T, Wu Z, Du J, Hu Y, Liu L, Yang F, Jin Q. Anti-Japanese-encephalitis-viral effects of kaempferol and daidzin and their RNA-binding characteristics. PLoS One. 2012;7(1):e30259. doi: 10.1371/journal.pone.0030259. Epub 2012 Jan 20. PMID: 22276167; PMCID: PMC3262791.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22276167/,,,,,,4183640,Yes,No,Experimental,DB02115,https://go.drugbank.com/drugs/DB02115,
DBoRL1446,Kaempferol,"3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one",OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",IYRMWMYZSQPJKC-UHFFFAOYSA-N,C15H10O6,520-18-3,286.239,2.459864786,4,6,1,3,JEV fsRNA1 (MW 6048 Da) stem-loop structure: 5'-[GGGCCUUCUGGUGAUGUUU]-3',The molecule exhibits Anti-Japanese-Encephalitis-Viral effects by bind with Japanese-Encephalitis RNA. Please see the reference for more details.,22276167,,,,,,"Zhang T, Wu Z, Du J, Hu Y, Liu L, Yang F, Jin Q. Anti-Japanese-encephalitis-viral effects of kaempferol and daidzin and their RNA-binding characteristics. PLoS One. 2012;7(1):e30259. doi: 10.1371/journal.pone.0030259. Epub 2012 Jan 20. PMID: 22276167; PMCID: PMC3262791.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22276167/,,,,,,5280863,Yes,No,Experimental,DB01852,https://go.drugbank.com/drugs/DB01852,
DBoRL1447,Kaempferol,"3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one",OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",IYRMWMYZSQPJKC-UHFFFAOYSA-N,C15H10O6,520-18-3,286.239,2.459864786,4,6,1,3,JEV fsRNA2 (MW 5423 Da) stem-loop structure: 5'-[GGCCACCCAGGAAGUCC]-3',The molecule exhibits Anti-Japanese-Encephalitis-Viral effects by bind with Japanese-Encephalitis RNA. Please see the reference for more details.,22276167,,,,,,"Zhang T, Wu Z, Du J, Hu Y, Liu L, Yang F, Jin Q. Anti-Japanese-encephalitis-viral effects of kaempferol and daidzin and their RNA-binding characteristics. PLoS One. 2012;7(1):e30259. doi: 10.1371/journal.pone.0030259. Epub 2012 Jan 20. PMID: 22276167; PMCID: PMC3262791.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22276167/,,,,,,5280863,Yes,No,Experimental,DB01852,https://go.drugbank.com/drugs/DB01852,
DBoRL1448,Kaempferol,"3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one",OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",IYRMWMYZSQPJKC-UHFFFAOYSA-N,C15H10O6,520-18-3,286.239,2.459864786,4,6,1,3,"JEV fsRNA3, (49 nt, 3555?3604 nt) stem-loop structure: 5'-[CCUUUUCAGCUGGGCCUUCUGGUGAUGUUUCUGGCCACCCAGGAAGUCC]-3'",The molecule exhibits Anti-Japanese-Encephalitis-Viral effects by bind with Japanese-Encephalitis RNA. Please see the reference for more details.,22276167,,,,,,"Zhang T, Wu Z, Du J, Hu Y, Liu L, Yang F, Jin Q. Anti-Japanese-encephalitis-viral effects of kaempferol and daidzin and their RNA-binding characteristics. PLoS One. 2012;7(1):e30259. doi: 10.1371/journal.pone.0030259. Epub 2012 Jan 20. PMID: 22276167; PMCID: PMC3262791.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22276167/,,,,,,5280863,Yes,No,Experimental,DB01852,https://go.drugbank.com/drugs/DB01852,
DBoRL1449,3-[6-[2-(3-Aminophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]aniline,"3-{6-[2-(3-aminophenyl)-1H-1,3-benzodiazol-6-yl]-1H-1,3-benzodiazol-2-yl}aniline",Nc1cccc(-c2nc3ccc(-c4ccc5nc(-c6cccc(N)c6)[nH]c5c4)cc3[nH]2)c1,"InChI=1S/C26H20N6/c27-19-5-1-3-17(11-19)25-29-21-9-7-15(13-23(21)31-25)16-8-10-22-24(14-16)32-26(30-22)18-4-2-6-20(28)12-18/h1-14H,27-28H2,(H,29,31)(H,30,32)",QROWVLFOWUYBIG-UHFFFAOYSA-N,C26H20N6,4402-18-0,416.488,4.584676135,4,4,3,6,5'CUG/3'GUC,Myotonic dystrophy type 1 (DM1) is a triplet repeating disorder caused by expanded CTG repeats in the 3? untranslated region of the dystrophia myotonica protein kinase (DMPK) gene. The transcribed repeats fold into an RNA hairpin with multiple copies of a 5?CUG/3?GUC motif that binds the RNA splicing regulator muscleblind-like 1 protein (MBNL1). Sequestration of MBNL1 by expanded r(CUG) repeats causes splicing defects in a subset of pre-mRNAs. 3-[6-[2-(3-Aminophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]aniline binds with 5?CUG/3?GUC repeats and inhibits Muscleblind-like 1 (MBNL) protein binding.,22300544,,,,,,"Parkesh R, Childs-Disney JL, Nakamori M, Kumar A, Wang E, Wang T, Hoskins J, Tran T, Housman D, Thornton CA, Disney MD. Design of a bioactive small molecule that targets the myotonic dystrophy type 1 RNA via an RNA motif-ligand database and chemical similarity searching. J Am Chem Soc. 2012 Mar 14;134(10):4731-42. doi: 10.1021/ja210088v. Epub 2012 Mar 5. PMID: 22300544; PMCID: PMC3306011.
",,,,,,https://pubmed.ncbi.nlm.nih.gov/22300544/,,,,,,4644404,No,No,,,,
DBoRL1450,Hoechst 33258-like compound,"2-(2-{[2-(3-{[2-(4,5-dihydro-1H-imidazol-2-yl)diazen-1-yl]methyl}phenyl)imidazo[1,2-a]pyridin-6-yl]methylidene}hydrazin-1-yl)-4,5-dihydro-1H-imidazole",C(=NNC1=NCCN1)c1ccc2nc(-c3cccc(CN=NC4=NCCN4)c3)cn2c1,"InChI=1S/C21H22N10/c1-2-15(11-26-29-20-22-6-7-23-20)10-17(3-1)18-14-31-13-16(4-5-19(31)28-18)12-27-30-21-24-8-9-25-21/h1-5,10,12-14H,6-9,11H2,(H,22,23)(H2,24,25,30)",OGWLMTABWJUROK-UHFFFAOYSA-N,C21H22N10,Not Found,414.477,1.508225583,3,9,5,5,5'CUG/3'GUC,Myotonic dystrophy type 1 (DM1) is a triplet repeating disorder caused by expanded CTG repeats in the 3? untranslated region of the dystrophia myotonica protein kinase (DMPK) gene. The transcribed repeats fold into an RNA hairpin with multiple copies of a 5?CUG/3?GUC motif that binds the RNA splicing regulator muscleblind-like 1 protein (MBNL1). Sequestration of MBNL1 by expanded r(CUG) repeats causes splicing defects in a subset of pre-mRNAs. Hoechst 33258-like compound binds with 5?CUG/3?GUC repeats and inhibits Muscleblind-like 1 (MBNL) protein binding.,22300544,,,,,,"Parkesh R, Childs-Disney JL, Nakamori M, Kumar A, Wang E, Wang T, Hoskins J, Tran T, Housman D, Thornton CA, Disney MD. Design of a bioactive small molecule that targets the myotonic dystrophy type 1 RNA via an RNA motif-ligand database and chemical similarity searching. J Am Chem Soc. 2012 Mar 14;134(10):4731-42. doi: 10.1021/ja210088v. Epub 2012 Mar 5. PMID: 22300544; PMCID: PMC3306011.
",,,,,,https://pubmed.ncbi.nlm.nih.gov/22300544/,,,,,,Not Found,No,No,,,,
DBoRL1451,"1,4-Benzenedicarboxamide, N,N'-bis[4-(aminoiminomethyl)phenyl]-","N1,N4-bis(4-carbamimidoylphenyl)benzene-1,4-dicarboxamide",N=C(N)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=N)N)cc3)cc2)cc1,"InChI=1S/C22H20N6O2/c23-19(24)13-5-9-17(10-6-13)27-21(29)15-1-2-16(4-3-15)22(30)28-18-11-7-14(8-12-18)20(25)26/h1-12H,(H3,23,24)(H3,25,26)(H,27,29)(H,28,30)",BSZRBFBSRCZEFP-UHFFFAOYSA-N,C22H20N6O2,Not Found,400.442,1.997952376,6,6,6,3,5'CUG/3'GUC,"Myotonic dystrophy type 1 (DM1) is a triplet repeating disorder caused by expanded CTG repeats in the 3? untranslated region of the dystrophia myotonica protein kinase (DMPK) gene. The transcribed repeats fold into an RNA hairpin with multiple copies of a 5?CUG/3?GUC motif that binds the RNA splicing regulator muscleblind-like 1 protein (MBNL1). Sequestration of MBNL1 by expanded r(CUG) repeats causes splicing defects in a subset of pre-mRNAs. 1,4-Benzenedicarboxamide, N,N'-bis[4-(aminoiminomethyl)phenyl] binds with 5?CUG/3?GUC repeats and inhibits Muscleblind-like 1 (MBNL) protein binding.",22300544,,,,,,"Parkesh R, Childs-Disney JL, Nakamori M, Kumar A, Wang E, Wang T, Hoskins J, Tran T, Housman D, Thornton CA, Disney MD. Design of a bioactive small molecule that targets the myotonic dystrophy type 1 RNA via an RNA motif-ligand database and chemical similarity searching. J Am Chem Soc. 2012 Mar 14;134(10):4731-42. doi: 10.1021/ja210088v. Epub 2012 Mar 5. PMID: 22300544; PMCID: PMC3306011.
",,,,,,https://pubmed.ncbi.nlm.nih.gov/22300544/,,,,,,414102,No,No,,,,
DBoRL1452,"4,4'-(1H,1'H-[5,5'-bibenzo[d]imidazole]-2,2'-diyl)dianiline (H1)","3-{5-[2-(3-aminophenyl)-1H-1,3-benzodiazol-6-yl]-1H-1,3-benzodiazol-2-yl}aniline",NC1=CC(=CC=C1)C1=NC2=C(N1)C=CC(=C2)C1=CC=C2N=C(NC2=C1)C1=CC(N)=CC=C1,"InChI=1S/C26H20N6/c27-19-5-1-3-17(11-19)25-29-21-9-7-15(13-23(21)31-25)16-8-10-22-24(14-16)32-26(30-22)18-4-2-6-20(28)12-18/h1-14H,27-28H2,(H,29,31)(H,30,32)",QROWVLFOWUYBIG-UHFFFAOYSA-N,C26H20N6,4402-18-0,416.488,4.584676135,4,4,3,6,RNA: 5'CUG/3'GAC,The compound is a bioactive small molecule that targets the myotonic dystrophy type 1 RNA. The compound has a high affinity to binds expanded rCUG- and rCAG-repeat RNAs expressed in myotonic dystrophy and spinocerebellar ataxia.,22300544,,,,,,"Parkesh R, Childs-Disney JL, Nakamori M, Kumar A, Wang E, Wang T, Hoskins J, Tran T, Housman D, Thornton CA, Disney MD. Design of a bioactive small molecule that targets the myotonic dystrophy type 1 RNA via an RNA motif-ligand database and chemical similarity searching. J Am Chem Soc. 2012 Mar 14;134(10):4731-42. doi: 10.1021/ja210088v. Epub 2012 Mar 5. PMID: 22300544; PMCID: PMC3306011.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22300544/,,,,,,4644404,No,No,,,,
DBoRL1453,"4,4'-(1H,1'H-[5,5'-bibenzo[d]imidazole]-2,2'-diyl)dianiline (H1)","3-{5-[2-(3-aminophenyl)-1H-1,3-benzodiazol-6-yl]-1H-1,3-benzodiazol-2-yl}aniline",NC1=CC(=CC=C1)C1=NC2=C(N1)C=CC(=C2)C1=CC=C2N=C(NC2=C1)C1=CC(N)=CC=C1,"InChI=1S/C26H20N6/c27-19-5-1-3-17(11-19)25-29-21-9-7-15(13-23(21)31-25)16-8-10-22-24(14-16)32-26(30-22)18-4-2-6-20(28)12-18/h1-14H,27-28H2,(H,29,31)(H,30,32)",QROWVLFOWUYBIG-UHFFFAOYSA-N,C26H20N6,4402-18-0,416.488,4.584676135,4,4,3,6,RNA: 5'CUG/3'GUC,The compound is a bioactive small molecule that targets the myotonic dystrophy type 1 RNA. The compound has a high affinity to binds expanded rCUG- and rCAG-repeat RNAs expressed in myotonic dystrophy and spinocerebellar ataxia.,22300544,,,,,,"Parkesh R, Childs-Disney JL, Nakamori M, Kumar A, Wang E, Wang T, Hoskins J, Tran T, Housman D, Thornton CA, Disney MD. Design of a bioactive small molecule that targets the myotonic dystrophy type 1 RNA via an RNA motif-ligand database and chemical similarity searching. J Am Chem Soc. 2012 Mar 14;134(10):4731-42. doi: 10.1021/ja210088v. Epub 2012 Mar 5. PMID: 22300544; PMCID: PMC3306011.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22300544/,,,,,,4644404,No,No,,,,
DBoRL1454,"4,4'-(1H,1'H-[5,5'-bibenzo[d]imidazole]-2,2'-diyl)dianiline (H1)","3-{5-[2-(3-aminophenyl)-1H-1,3-benzodiazol-6-yl]-1H-1,3-benzodiazol-2-yl}aniline",NC1=CC(=CC=C1)C1=NC2=C(N1)C=CC(=C2)C1=CC=C2N=C(NC2=C1)C1=CC(N)=CC=C1,"InChI=1S/C26H20N6/c27-19-5-1-3-17(11-19)25-29-21-9-7-15(13-23(21)31-25)16-8-10-22-24(14-16)32-26(30-22)18-4-2-6-20(28)12-18/h1-14H,27-28H2,(H,29,31)(H,30,32)",QROWVLFOWUYBIG-UHFFFAOYSA-N,C26H20N6,4402-18-0,416.488,4.584676135,4,4,3,6,RNA: 5'CAG/3'GAC,The compound is a bioactive small molecule that targets the myotonic dystrophy type 1 RNA. The compound has a high affinity to binds expanded rCUG- and rCAG-repeat RNAs expressed in myotonic dystrophy and spinocerebellar ataxia.,22300544,,,,,,"Parkesh R, Childs-Disney JL, Nakamori M, Kumar A, Wang E, Wang T, Hoskins J, Tran T, Housman D, Thornton CA, Disney MD. Design of a bioactive small molecule that targets the myotonic dystrophy type 1 RNA via an RNA motif-ligand database and chemical similarity searching. J Am Chem Soc. 2012 Mar 14;134(10):4731-42. doi: 10.1021/ja210088v. Epub 2012 Mar 5. PMID: 22300544; PMCID: PMC3306011.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22300544/,,,,,,4644404,No,No,,,,
DBoRL1455,"4,4'-(1H,1'H-[5,5'-bibenzo[d]imidazole]-2,2'-diyl)dianiline (H1)","3-{5-[2-(3-aminophenyl)-1H-1,3-benzodiazol-6-yl]-1H-1,3-benzodiazol-2-yl}aniline",NC1=CC(=CC=C1)C1=NC2=C(N1)C=CC(=C2)C1=CC=C2N=C(NC2=C1)C1=CC(N)=CC=C1,"InChI=1S/C26H20N6/c27-19-5-1-3-17(11-19)25-29-21-9-7-15(13-23(21)31-25)16-8-10-22-24(14-16)32-26(30-22)18-4-2-6-20(28)12-18/h1-14H,27-28H2,(H,29,31)(H,30,32)",QROWVLFOWUYBIG-UHFFFAOYSA-N,C26H20N6,4402-18-0,416.488,4.584676135,4,4,3,6,RNA: 5'CGG/3'GGC,The compound is a bioactive small molecule that targets the myotonic dystrophy type 1 RNA. The compound has a high affinity to binds expanded rCUG- and rCAG-repeat RNAs expressed in myotonic dystrophy and spinocerebellar ataxia.,22300544,,,,,,"Parkesh R, Childs-Disney JL, Nakamori M, Kumar A, Wang E, Wang T, Hoskins J, Tran T, Housman D, Thornton CA, Disney MD. Design of a bioactive small molecule that targets the myotonic dystrophy type 1 RNA via an RNA motif-ligand database and chemical similarity searching. J Am Chem Soc. 2012 Mar 14;134(10):4731-42. doi: 10.1021/ja210088v. Epub 2012 Mar 5. PMID: 22300544; PMCID: PMC3306011.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22300544/,,,,,,4644404,No,No,,,,
DBoRL1456,"4,4'-(1H,1'H-[5,5'-bibenzo[d]imidazole]-2,2'-diyl)dianiline (H1)","3-{5-[2-(3-aminophenyl)-1H-1,3-benzodiazol-6-yl]-1H-1,3-benzodiazol-2-yl}aniline",NC1=CC(=CC=C1)C1=NC2=C(N1)C=CC(=C2)C1=CC=C2N=C(NC2=C1)C1=CC(N)=CC=C1,"InChI=1S/C26H20N6/c27-19-5-1-3-17(11-19)25-29-21-9-7-15(13-23(21)31-25)16-8-10-22-24(14-16)32-26(30-22)18-4-2-6-20(28)12-18/h1-14H,27-28H2,(H,29,31)(H,30,32)",QROWVLFOWUYBIG-UHFFFAOYSA-N,C26H20N6,4402-18-0,416.488,4.584676135,4,4,3,6,RNA: 5'CUG/3'GCC,The compound is a bioactive small molecule that targets the myotonic dystrophy type 1 RNA. The compound has a high affinity to binds expanded rCUG- and rCAG-repeat RNAs expressed in myotonic dystrophy and spinocerebellar ataxia.,22300544,,,,,,"Parkesh R, Childs-Disney JL, Nakamori M, Kumar A, Wang E, Wang T, Hoskins J, Tran T, Housman D, Thornton CA, Disney MD. Design of a bioactive small molecule that targets the myotonic dystrophy type 1 RNA via an RNA motif-ligand database and chemical similarity searching. J Am Chem Soc. 2012 Mar 14;134(10):4731-42. doi: 10.1021/ja210088v. Epub 2012 Mar 5. PMID: 22300544; PMCID: PMC3306011.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22300544/,,,,,,4644404,No,No,,,,
DBoRL1457,Hoechst 33258-like compound (H2),"2-[(1Z)-2-[(3-{6-[(E)-[2-(4,5-dihydro-1H-imidazol-2-yl)hydrazin-1-ylidene]methyl]imidazo[1,2-a]pyridin-2-yl}phenyl)methyl]diazen-1-yl]-4,5-dihydro-1H-imidazole",C(\N=N/C1=NCCN1)C1=CC=CC(=C1)C1=CN2C=C(\C=N\NC3=NCCN3)C=CC2=N1,"InChI=1S/C21H22N10/c1-2-15(11-26-29-20-22-6-7-23-20)10-17(3-1)18-14-31-13-16(4-5-19(31)28-18)12-27-30-21-24-8-9-25-21/h1-5,10,12-14H,6-9,11H2,(H,22,23)(H2,24,25,30)/b27-12+,29-26-",OGWLMTABWJUROK-CLEJGCFMSA-N,C21H22N10,Not Found,414.477,1.508225583,3,9,5,5,RNA: 5'CUG/3'GUC,The compound is a bioactive small molecule that targets the myotonic dystrophy type 1 RNA. The compound has a high affinity to binds expanded rCUG- and rCAG-repeat RNAs expressed in myotonic dystrophy and spinocerebellar ataxia.,22300544,,,,,,"Parkesh R, Childs-Disney JL, Nakamori M, Kumar A, Wang E, Wang T, Hoskins J, Tran T, Housman D, Thornton CA, Disney MD. Design of a bioactive small molecule that targets the myotonic dystrophy type 1 RNA via an RNA motif-ligand database and chemical similarity searching. J Am Chem Soc. 2012 Mar 14;134(10):4731-42. doi: 10.1021/ja210088v. Epub 2012 Mar 5. PMID: 22300544; PMCID: PMC3306011.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22300544/,,,,,,Not Found,No,No,,,,
DBoRL1458,Hoechst 33258-like compound (H2),"2-[(1Z)-2-[(3-{6-[(E)-[2-(4,5-dihydro-1H-imidazol-2-yl)hydrazin-1-ylidene]methyl]imidazo[1,2-a]pyridin-2-yl}phenyl)methyl]diazen-1-yl]-4,5-dihydro-1H-imidazole",C(\N=N/C1=NCCN1)C1=CC=CC(=C1)C1=CN2C=C(\C=N\NC3=NCCN3)C=CC2=N1,"InChI=1S/C21H22N10/c1-2-15(11-26-29-20-22-6-7-23-20)10-17(3-1)18-14-31-13-16(4-5-19(31)28-18)12-27-30-21-24-8-9-25-21/h1-5,10,12-14H,6-9,11H2,(H,22,23)(H2,24,25,30)/b27-12+,29-26-",OGWLMTABWJUROK-CLEJGCFMSA-N,C21H22N10,Not Found,414.477,1.508225583,3,9,5,5,RNA: 5'CGG/3'GGC,The compound is a bioactive small molecule that targets the myotonic dystrophy type 1 RNA. The compound has a high affinity to binds expanded rCUG- and rCAG-repeat RNAs expressed in myotonic dystrophy and spinocerebellar ataxia.,22300544,,,,,,"Parkesh R, Childs-Disney JL, Nakamori M, Kumar A, Wang E, Wang T, Hoskins J, Tran T, Housman D, Thornton CA, Disney MD. Design of a bioactive small molecule that targets the myotonic dystrophy type 1 RNA via an RNA motif-ligand database and chemical similarity searching. J Am Chem Soc. 2012 Mar 14;134(10):4731-42. doi: 10.1021/ja210088v. Epub 2012 Mar 5. PMID: 22300544; PMCID: PMC3306011.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22300544/,,,,,,Not Found,No,No,,,,
DBoRL1459,Hoechst 33258-like compound (H2),"2-[(1Z)-2-[(3-{6-[(E)-[2-(4,5-dihydro-1H-imidazol-2-yl)hydrazin-1-ylidene]methyl]imidazo[1,2-a]pyridin-2-yl}phenyl)methyl]diazen-1-yl]-4,5-dihydro-1H-imidazole",C(\N=N/C1=NCCN1)C1=CC=CC(=C1)C1=CN2C=C(\C=N\NC3=NCCN3)C=CC2=N1,"InChI=1S/C21H22N10/c1-2-15(11-26-29-20-22-6-7-23-20)10-17(3-1)18-14-31-13-16(4-5-19(31)28-18)12-27-30-21-24-8-9-25-21/h1-5,10,12-14H,6-9,11H2,(H,22,23)(H2,24,25,30)/b27-12+,29-26-",OGWLMTABWJUROK-CLEJGCFMSA-N,C21H22N10,Not Found,414.477,1.508225583,3,9,5,5,RNA: 5'CCG/3'GUC,The compound is a bioactive small molecule that targets the myotonic dystrophy type 1 RNA. The compound has a high affinity to binds expanded rCUG- and rCAG-repeat RNAs expressed in myotonic dystrophy and spinocerebellar ataxia.,22300544,,,,,,"Parkesh R, Childs-Disney JL, Nakamori M, Kumar A, Wang E, Wang T, Hoskins J, Tran T, Housman D, Thornton CA, Disney MD. Design of a bioactive small molecule that targets the myotonic dystrophy type 1 RNA via an RNA motif-ligand database and chemical similarity searching. J Am Chem Soc. 2012 Mar 14;134(10):4731-42. doi: 10.1021/ja210088v. Epub 2012 Mar 5. PMID: 22300544; PMCID: PMC3306011.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22300544/,,,,,,Not Found,No,No,,,,
DBoRL1460,Hoechst 33258-like compound (H2),"2-[(1Z)-2-[(3-{6-[(E)-[2-(4,5-dihydro-1H-imidazol-2-yl)hydrazin-1-ylidene]methyl]imidazo[1,2-a]pyridin-2-yl}phenyl)methyl]diazen-1-yl]-4,5-dihydro-1H-imidazole",C(\N=N/C1=NCCN1)C1=CC=CC(=C1)C1=CN2C=C(\C=N\NC3=NCCN3)C=CC2=N1,"InChI=1S/C21H22N10/c1-2-15(11-26-29-20-22-6-7-23-20)10-17(3-1)18-14-31-13-16(4-5-19(31)28-18)12-27-30-21-24-8-9-25-21/h1-5,10,12-14H,6-9,11H2,(H,22,23)(H2,24,25,30)/b27-12+,29-26-",OGWLMTABWJUROK-CLEJGCFMSA-N,C21H22N10,Not Found,414.477,1.508225583,3,9,5,5,RNA: 5'CGG/3'GAC,The compound is a bioactive small molecule that targets the myotonic dystrophy type 1 RNA. The compound has a high affinity to binds expanded rCUG- and rCAG-repeat RNAs expressed in myotonic dystrophy and spinocerebellar ataxia.,22300544,,,,,,"Parkesh R, Childs-Disney JL, Nakamori M, Kumar A, Wang E, Wang T, Hoskins J, Tran T, Housman D, Thornton CA, Disney MD. Design of a bioactive small molecule that targets the myotonic dystrophy type 1 RNA via an RNA motif-ligand database and chemical similarity searching. J Am Chem Soc. 2012 Mar 14;134(10):4731-42. doi: 10.1021/ja210088v. Epub 2012 Mar 5. PMID: 22300544; PMCID: PMC3306011.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22300544/,,,,,,Not Found,No,No,,,,
DBoRL1461,Pentamidine-like compound (P1),"N1,N4-bis(4-carbamimidoylphenyl)benzene-1,4-dicarboxamide",NC(=N)C1=CC=C(NC(=O)C2=CC=C(C=C2)C(=O)NC2=CC=C(C=C2)C(N)=N)C=C1,"InChI=1S/C22H20N6O2/c23-19(24)13-5-9-17(10-6-13)27-21(29)15-1-2-16(4-3-15)22(30)28-18-11-7-14(8-12-18)20(25)26/h1-12H,(H3,23,24)(H3,25,26)(H,27,29)(H,28,30)",BSZRBFBSRCZEFP-UHFFFAOYSA-N,C22H20N6O2,Not Found,400.442,1.997952376,6,6,6,3,RNA: 5'CUG/3'GUC,The compound is a bioactive small molecule that targets the myotonic dystrophy type 1 RNA. The compound has a high affinity to binds expanded rCUG- and rCAG-repeat RNAs expressed in myotonic dystrophy and spinocerebellar ataxia.,22300544,,,,,,"Parkesh R, Childs-Disney JL, Nakamori M, Kumar A, Wang E, Wang T, Hoskins J, Tran T, Housman D, Thornton CA, Disney MD. Design of a bioactive small molecule that targets the myotonic dystrophy type 1 RNA via an RNA motif-ligand database and chemical similarity searching. J Am Chem Soc. 2012 Mar 14;134(10):4731-42. doi: 10.1021/ja210088v. Epub 2012 Mar 5. PMID: 22300544; PMCID: PMC3306011.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22300544/,,,,,,414102,No,No,,,,
DBoRL1462,SL3 RNA_ligand1,"3-[(2,4-dioxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)methyl]-5-[(2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione",O=C1Oc2ccccc2C(=O)C1=CN1C(=O)NC(=Cc2ccccc2O)C1=O,"InChI=1S/C20H12N2O6/c23-15-7-3-1-5-11(15)9-14-18(25)22(20(27)21-14)10-13-17(24)12-6-2-4-8-16(12)28-19(13)26/h1-10,23H,(H,21,27)",OXOLJTSYTWUJTR-UHFFFAOYSA-N,C20H12N2O6,Not Found,376.324,1.51718177,2,5,2,4,SL3 RNA,"Stem-loop 3 RNA (SL3) in ?-RNA is a highly conserved motif in different strains of HIV-1 and serves as a principle determinant for viral packaging. Viral encapsulation is critical for viral replication, and disruption of the nucleocapsid??-RNA complex interferes with viral replication. SL3 RNA_ligand1 Inhibits HIV-1 Nucleocapsid?Stem-Loop 3 RNA Complex, which interferes with viral replication process.",22480197,,,,,,"Warui DM, Baranger AM. Identification of small molecule inhibitors of the HIV-1 nucleocapsid-stem-loop 3 RNA complex. J Med Chem. 2012 May 10;55(9):4132-41. doi: 10.1021/jm2007694. Epub 2012 May 1. PMID: 22480197.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22480197/,,,,,,376658,No,No,,,,
DBoRL1463,SL3 RNA_ligand2,"1-amino-9,10-dioxo-4-[(3-sulfamoylphenyl)amino]-9,10-dihydroanthracene-2-sulfonic acid",Nc1c(S(=O)(=O)O)cc(Nc2cccc(S(N)(=O)=O)c2)c2c1C(=O)c1ccccc1C2=O,"InChI=1S/C20H15N3O7S2/c21-18-15(32(28,29)30)9-14(23-10-4-3-5-11(8-10)31(22,26)27)16-17(18)20(25)13-7-2-1-6-12(13)19(16)24/h1-9,23H,21H2,(H2,22,26,27)(H,28,29,30)",LHSBZAWDPSTOEY-UHFFFAOYSA-N,C20H15N3O7S2,500363-63-3,473.47,1.179627002,4,9,4,4,SL3 RNA,"Stem-loop 3 RNA (SL3) in ?-RNA is a highly conserved motif in different strains of HIV-1 and serves as a principle determinant for viral packaging. Viral encapsulation is critical for viral replication, and disruption of the nucleocapsid??-RNA complex interferes with viral replication. SL3 RNA_ligand2 Inhibits HIV-1 Nucleocapsid?Stem-Loop 3 RNA Complex, which interferes with viral replication process.",22480197,,,,,,"Warui DM, Baranger AM. Identification of small molecule inhibitors of the HIV-1 nucleocapsid-stem-loop 3 RNA complex. J Med Chem. 2012 May 10;55(9):4132-41. doi: 10.1021/jm2007694. Epub 2012 May 1. PMID: 22480197.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22480197/,,,,,,272572,No,No,,,,
DBoRL1464,SL3 RNA_ligand3,"1-amino-9,10-dioxo-4-[(4-sulfamoylphenyl)amino]-9,10-dihydroanthracene-2-sulfonic acid",Nc1c(S(=O)(=O)O)cc(Nc2ccc(S(N)(=O)=O)cc2)c2c1C(=O)c1ccccc1C2=O,"InChI=1S/C20H15N3O7S2/c21-18-15(32(28,29)30)9-14(23-10-5-7-11(8-6-10)31(22,26)27)16-17(18)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,23H,21H2,(H2,22,26,27)(H,28,29,30)",RRARWTAYDLOASH-UHFFFAOYSA-N,C20H15N3O7S2,Not Found,473.47,1.381748235,4,9,4,4,SL3 RNA,"Stem-loop 3 RNA (SL3) in ?-RNA is a highly conserved motif in different strains of HIV-1 and serves as a principle determinant for viral packaging. Viral encapsulation is critical for viral replication, and disruption of the nucleocapsid??-RNA complex interferes with viral replication. SL3 RNA_ligand3 Inhibits HIV-1 Nucleocapsid?Stem-Loop 3 RNA Complex, which interferes with viral replication process.",22480197,,,,,,"Warui DM, Baranger AM. Identification of small molecule inhibitors of the HIV-1 nucleocapsid-stem-loop 3 RNA complex. J Med Chem. 2012 May 10;55(9):4132-41. doi: 10.1021/jm2007694. Epub 2012 May 1. PMID: 22480197.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22480197/,,,,,,3356666,No,No,,,,
DBoRL1465,SL3 RNA_ligand4,"1,4-bis[(2-hydroxyethyl)amino]-4a,9,9a,10-tetrahydroanthracene-9,10-dione",O=C1c2ccccc2C(=O)C2C(NCCO)=CC=C(NCCO)C12,"InChI=1/C18H20N2O4/c21-9-7-19-13-5-6-14(20-8-10-22)16-15(13)17(23)11-3-1-2-4-12(11)18(16)24/h1-6,15-16,19-22H,7-10H2",DXFBPVJQYZURIB-UHFFFAOYNA-N,C18H20N2O4,Not Found,328.368,-1.206808871,4,6,6,3,SL3 RNA,"Stem-loop 3 RNA (SL3) in ?-RNA is a highly conserved motif in different strains of HIV-1 and serves as a principle determinant for viral packaging. Viral encapsulation is critical for viral replication, and disruption of the nucleocapsid??-RNA complex interferes with viral replication. SL3 RNA_ligand4 Inhibits HIV-1 Nucleocapsid?Stem-Loop 3 RNA Complex, which interferes with viral replication process.",22480197,,,,,,"Warui DM, Baranger AM. Identification of small molecule inhibitors of the HIV-1 nucleocapsid-stem-loop 3 RNA complex. J Med Chem. 2012 May 10;55(9):4132-41. doi: 10.1021/jm2007694. Epub 2012 May 1. PMID: 22480197.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22480197/,,,,,,71594903,No,No,,,,
DBoRL1466,SL3 RNA_ligand5,"7-(3-hydroxypropyl)-6-imino-N,11-dimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0?,?]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide",CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCO)c1=N,"InChI=1S/C17H19N5O3/c1-10-5-3-6-22-14(10)20-15-12(17(22)25)9-11(16(24)19-2)13(18)21(15)7-4-8-23/h3,5-6,9,18,23H,4,7-8H2,1-2H3,(H,19,24)",SZSZEWBXAFEXQJ-UHFFFAOYSA-N,C17H19N5O3,692270-96-5,341.371,-0.80354887,3,6,4,3,SL3 RNA,"Stem-loop 3 RNA (SL3) in ?-RNA is a highly conserved motif in different strains of HIV-1 and serves as a principle determinant for viral packaging. Viral encapsulation is critical for viral replication, and disruption of the nucleocapsid??-RNA complex interferes with viral replication. SL3 RNA_ligand5 Inhibits HIV-1 Nucleocapsid?Stem-Loop 3 RNA Complex, which interferes with viral replication process.",22480197,,,,,,"Warui DM, Baranger AM. Identification of small molecule inhibitors of the HIV-1 nucleocapsid-stem-loop 3 RNA complex. J Med Chem. 2012 May 10;55(9):4132-41. doi: 10.1021/jm2007694. Epub 2012 May 1. PMID: 22480197.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22480197/,,,,,,2938622,No,No,,,,
DBoRL1467,SL3 RNA_ligand6,"6-imino-11-methyl-N-[2-(morpholin-4-yl)ethyl]-2-oxo-7-[(pyridin-3-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0?,?]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide",Cc1cccn2c(=O)c3cc(C(=O)NCCN4CCOCC4)c(=N)n(Cc4cccnc4)c3nc12,"InChI=1S/C25H27N7O3/c1-17-4-3-8-31-22(17)29-23-20(25(31)34)14-19(21(26)32(23)16-18-5-2-6-27-15-18)24(33)28-7-9-30-10-12-35-13-11-30/h2-6,8,14-15,26H,7,9-13,16H2,1H3,(H,28,33)",SUJXYFPBVPQZKX-UHFFFAOYSA-N,C25H27N7O3,618410-36-9,473.537,0.133538164,2,8,6,5,SL3 RNA,"Stem-loop 3 RNA (SL3) in ?-RNA is a highly conserved motif in different strains of HIV-1 and serves as a principle determinant for viral packaging. Viral encapsulation is critical for viral replication, and disruption of the nucleocapsid??-RNA complex interferes with viral replication. SL3 RNA_ligand6 Inhibits HIV-1 Nucleocapsid?Stem-Loop 3 RNA Complex, which interferes with viral replication process.",22480197,,,,,,"Warui DM, Baranger AM. Identification of small molecule inhibitors of the HIV-1 nucleocapsid-stem-loop 3 RNA complex. J Med Chem. 2012 May 10;55(9):4132-41. doi: 10.1021/jm2007694. Epub 2012 May 1. PMID: 22480197.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22480197/,,,,,,1309471,No,No,,,,
DBoRL1468,SL3 RNA_ligand7,"6-imino-11-methyl-5-(4-methylpiperazine-1-carbonyl)-7-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0?,?]tetradeca-3(8),4,9,11,13-pentaen-2-one",Cc1cccn2c(=O)c3cc(C(=O)N4CCN(C)CC4)c(=N)n(CC4CCCO4)c3nc12,"InChI=1/C23H28N6O3/c1-15-5-3-7-28-20(15)25-21-18(23(28)31)13-17(22(30)27-10-8-26(2)9-11-27)19(24)29(21)14-16-6-4-12-32-16/h3,5,7,13,16,24H,4,6,8-12,14H2,1-2H3",LNOLBRCJJVDDCL-UHFFFAOYNA-N,C23H28N6O3,Not Found,436.516,0.315978076,1,7,3,5,SL3 RNA,"Stem-loop 3 RNA (SL3) in ?-RNA is a highly conserved motif in different strains of HIV-1 and serves as a principle determinant for viral packaging. Viral encapsulation is critical for viral replication, and disruption of the nucleocapsid??-RNA complex interferes with viral replication. SL3 RNA_ligand7 Inhibits HIV-1 Nucleocapsid?Stem-Loop 3 RNA Complex, which interferes with viral replication process.",22480197,,,,,,"Warui DM, Baranger AM. Identification of small molecule inhibitors of the HIV-1 nucleocapsid-stem-loop 3 RNA complex. J Med Chem. 2012 May 10;55(9):4132-41. doi: 10.1021/jm2007694. Epub 2012 May 1. PMID: 22480197.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22480197/,,,,,,2928537,No,No,,,,
DBoRL1469,SL3 RNA_ligand8,"5-[(3-{3-oxo-3H-benzo[f]chromen-2-yl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione",O=C1NC(=S)NC(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc2c(ccc3ccccc32)oc1=O,"InChI=1S/C27H16N4O4S/c32-24-21(25(33)29-27(36)28-24)12-16-14-31(17-7-2-1-3-8-17)30-23(16)20-13-19-18-9-5-4-6-15(18)10-11-22(19)35-26(20)34/h1-14H,(H2,28,29,32,33,36)",GUADQDYGYUHNSC-UHFFFAOYSA-N,C27H16N4O4S,Not Found,492.51,5.029286961,2,4,3,6,SL3 RNA,"Stem-loop 3 RNA (SL3) in ?-RNA is a highly conserved motif in different strains of HIV-1 and serves as a principle determinant for viral packaging. Viral encapsulation is critical for viral replication, and disruption of the nucleocapsid??-RNA complex interferes with viral replication. SL3 RNA_ligand8 Inhibits HIV-1 Nucleocapsid?Stem-Loop 3 RNA Complex, which interferes with viral replication process.",22480197,,,,,,"Warui DM, Baranger AM. Identification of small molecule inhibitors of the HIV-1 nucleocapsid-stem-loop 3 RNA complex. J Med Chem. 2012 May 10;55(9):4132-41. doi: 10.1021/jm2007694. Epub 2012 May 1. PMID: 22480197.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22480197/,,,,,,1341957,No,No,,,,
DBoRL1470,SL3 RNA_ligand10,"7-[2-(2-hydroxyethoxy)ethyl]-6-imino-11-methyl-2-oxo-N-(1-phenylethyl)-1,7,9-triazatricyclo[8.4.0.0?,?]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide",Cc1cccn2c(=O)c3cc(C(=O)NC(C)c4ccccc4)c(=N)n(CCOCCO)c3nc12,"InChI=1/C25H27N5O4/c1-16-7-6-10-30-22(16)28-23-20(25(30)33)15-19(21(26)29(23)11-13-34-14-12-31)24(32)27-17(2)18-8-4-3-5-9-18/h3-10,15,17,26,31H,11-14H2,1-2H3,(H,27,32)",PEXYGTGBKFPLPU-UHFFFAOYNA-N,C25H27N5O4,Not Found,461.522,1.230564024,3,7,8,4,SL3 RNA,"Stem-loop 3 RNA (SL3) in ?-RNA is a highly conserved motif in different strains of HIV-1 and serves as a principle determinant for viral packaging. Viral encapsulation is critical for viral replication, and disruption of the nucleocapsid??-RNA complex interferes with viral replication. SL3 RNA_ligand10 Inhibits HIV-1 Nucleocapsid?Stem-Loop 3 RNA Complex, which interferes with viral replication process.",22480197,,,,,,"Warui DM, Baranger AM. Identification of small molecule inhibitors of the HIV-1 nucleocapsid-stem-loop 3 RNA complex. J Med Chem. 2012 May 10;55(9):4132-41. doi: 10.1021/jm2007694. Epub 2012 May 1. PMID: 22480197.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22480197/,,,,,,2927731,No,No,,,,
DBoRL1471,SL3 RNA_ligand11,"2-imino-5-[(naphthalen-2-yl)methylidene]-1,3-thiazolidin-4-one",N=C1NC(=O)C(=Cc2ccc3ccccc3c2)S1,"InChI=1S/C14H10N2OS/c15-14-16-13(17)12(18-14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H,(H2,15,16,17)",GQVDMNNANPFKRB-UHFFFAOYSA-N,C14H10N2OS,Not Found,254.31,2.852097245,2,2,1,3,SL3 RNA,"Stem-loop 3 RNA (SL3) in ?-RNA is a highly conserved motif in different strains of HIV-1 and serves as a principle determinant for viral packaging. Viral encapsulation is critical for viral replication, and disruption of the nucleocapsid??-RNA complex interferes with viral replication. SL3 RNA_ligand11 Inhibits HIV-1 Nucleocapsid?Stem-Loop 3 RNA Complex, which interferes with viral replication process.",22480197,,,,,,"Warui DM, Baranger AM. Identification of small molecule inhibitors of the HIV-1 nucleocapsid-stem-loop 3 RNA complex. J Med Chem. 2012 May 10;55(9):4132-41. doi: 10.1021/jm2007694. Epub 2012 May 1. PMID: 22480197.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22480197/,,,,,,2849254,No,No,,,,
DBoRL1472,SL3 RNA_ligand12,"3,4-dimethoxy-N-[(5-nitrothiophen-2-yl)methyl]aniline",COc1ccc(NCc2ccc([N+](=O)[O-])s2)cc1OC,"InChI=1S/C13H14N2O4S/c1-18-11-5-3-9(7-12(11)19-2)14-8-10-4-6-13(20-10)15(16)17/h3-7,14H,8H2,1-2H3",DGURWVJVMCSDJH-UHFFFAOYSA-N,C13H14N2O4S,Not Found,294.33,2.874016063,1,5,6,2,SL3 RNA,"Stem-loop 3 RNA (SL3) in ?-RNA is a highly conserved motif in different strains of HIV-1 and serves as a principle determinant for viral packaging. Viral encapsulation is critical for viral replication, and disruption of the nucleocapsid??-RNA complex interferes with viral replication. SL3 RNA_ligand12 Inhibits HIV-1 Nucleocapsid?Stem-Loop 3 RNA Complex, which interferes with viral replication process.",22480197,,,,,,"Warui DM, Baranger AM. Identification of small molecule inhibitors of the HIV-1 nucleocapsid-stem-loop 3 RNA complex. J Med Chem. 2012 May 10;55(9):4132-41. doi: 10.1021/jm2007694. Epub 2012 May 1. PMID: 22480197.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22480197/,,,,,,784311,No,No,,,,
DBoRL1473,SL3 RNA_ligand13,5-[(naphthalen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one,O=C1NC(=S)NC1=Cc1ccc2ccccc2c1,"InChI=1S/C14H10N2OS/c17-13-12(15-14(18)16-13)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H,(H2,15,16,17,18)",TZDXWCXPMMMYIQ-UHFFFAOYSA-N,C14H10N2OS,Not Found,254.31,2.556849098,2,1,1,3,SL3 RNA,"Stem-loop 3 RNA (SL3) in ?-RNA is a highly conserved motif in different strains of HIV-1 and serves as a principle determinant for viral packaging. Viral encapsulation is critical for viral replication, and disruption of the nucleocapsid??-RNA complex interferes with viral replication. SL3 RNA_ligand13 Inhibits HIV-1 Nucleocapsid?Stem-Loop 3 RNA Complex, which interferes with viral replication process.",22480197,,,,,,"Warui DM, Baranger AM. Identification of small molecule inhibitors of the HIV-1 nucleocapsid-stem-loop 3 RNA complex. J Med Chem. 2012 May 10;55(9):4132-41. doi: 10.1021/jm2007694. Epub 2012 May 1. PMID: 22480197.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22480197/,,,,,,2848710,No,No,,,,
DBoRL1474,SL3 RNA_ligand14,1-benzyl-4-{N'-[(4-bromophenyl)methylidene]hydrazinecarbonyl}pyridin-1-ium,O=C(NN=Cc1ccc(Br)cc1)c1cc[n+](Cc2ccccc2)cc1,"InChI=1S/C20H16BrN3O/c21-19-8-6-16(7-9-19)14-22-23-20(25)18-10-12-24(13-11-18)15-17-4-2-1-3-5-17/h1-14H,15H2/p+1",GNRXVMZYMGRACJ-UHFFFAOYSA-O,C20H17BrN3O,Not Found,395.279,0.2953197,1,2,5,3,SL3 RNA,"Stem-loop 3 RNA (SL3) in ?-RNA is a highly conserved motif in different strains of HIV-1 and serves as a principle determinant for viral packaging. Viral encapsulation is critical for viral replication, and disruption of the nucleocapsid??-RNA complex interferes with viral replication. SL3 RNA_ligand14 Inhibits HIV-1 Nucleocapsid?Stem-Loop 3 RNA Complex, which interferes with viral replication process.",22480197,,,,,,"Warui DM, Baranger AM. Identification of small molecule inhibitors of the HIV-1 nucleocapsid-stem-loop 3 RNA complex. J Med Chem. 2012 May 10;55(9):4132-41. doi: 10.1021/jm2007694. Epub 2012 May 1. PMID: 22480197.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22480197/,,,,,,1358185,No,No,,,,
DBoRL1475,SL3 RNA_ligand15,4-(4-methylpiperidin-1-yl)aniline,CC1CCN(c2ccc(N)cc2)CC1,"InChI=1S/C12H18N2/c1-10-6-8-14(9-7-10)12-4-2-11(13)3-5-12/h2-5,10H,6-9,13H2,1H3",UZQJQJNKYMSTCP-UHFFFAOYSA-N,C12H18N2,342013-25-6,190.29,2.389748949,1,2,1,2,SL3 RNA,"Stem-loop 3 RNA (SL3) in ?-RNA is a highly conserved motif in different strains of HIV-1 and serves as a principle determinant for viral packaging. Viral encapsulation is critical for viral replication, and disruption of the nucleocapsid??-RNA complex interferes with viral replication. SL3 RNA_ligand15 Inhibits HIV-1 Nucleocapsid?Stem-Loop 3 RNA Complex, which interferes with viral replication process.",22480197,,,,,,"Warui DM, Baranger AM. Identification of small molecule inhibitors of the HIV-1 nucleocapsid-stem-loop 3 RNA complex. J Med Chem. 2012 May 10;55(9):4132-41. doi: 10.1021/jm2007694. Epub 2012 May 1. PMID: 22480197.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22480197/,,,,,,605442,No,No,,,,
DBoRL1476,SL3 RNA_ligand16,"N1-(2-phenoxyethyl)benzene-1,2-diamine",Nc1ccccc1NCCOc1ccccc1,"InChI=1S/C14H16N2O/c15-13-8-4-5-9-14(13)16-10-11-17-12-6-2-1-3-7-12/h1-9,16H,10-11,15H2",PYRLCNHZSHDZFM-UHFFFAOYSA-N,C14H16N2O,346662-82-6,228.295,2.261147596,2,3,5,2,SL3 RNA,"Stem-loop 3 RNA (SL3) in ?-RNA is a highly conserved motif in different strains of HIV-1 and serves as a principle determinant for viral packaging. Viral encapsulation is critical for viral replication, and disruption of the nucleocapsid??-RNA complex interferes with viral replication. SL3 RNA_ligand16 Inhibits HIV-1 Nucleocapsid?Stem-Loop 3 RNA Complex, which interferes with viral replication process.",22480197,,,,,,"Warui DM, Baranger AM. Identification of small molecule inhibitors of the HIV-1 nucleocapsid-stem-loop 3 RNA complex. J Med Chem. 2012 May 10;55(9):4132-41. doi: 10.1021/jm2007694. Epub 2012 May 1. PMID: 22480197.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22480197/,,,,,,2295787,No,No,,,,
DBoRL1477,SL3 RNA_ligand17,2-[(5-nitroquinolin-8-yl)sulfanyl]ethan-1-ol,O=[N+]([O-])c1ccc(SCCO)c2ncccc12,"InChI=1S/C11H10N2O3S/c14-6-7-17-10-4-3-9(13(15)16)8-2-1-5-12-11(8)10/h1-5,14H,6-7H2",ICJBWBHLZDQWFT-UHFFFAOYSA-N,C11H10N2O3S,Not Found,250.27,1.749314363,1,4,4,2,SL3 RNA,"Stem-loop 3 RNA (SL3) in ?-RNA is a highly conserved motif in different strains of HIV-1 and serves as a principle determinant for viral packaging. Viral encapsulation is critical for viral replication, and disruption of the nucleocapsid??-RNA complex interferes with viral replication. SL3 RNA_ligand17 Inhibits HIV-1 Nucleocapsid?Stem-Loop 3 RNA Complex, which interferes with viral replication process.",22480197,,,,,,"Warui DM, Baranger AM. Identification of small molecule inhibitors of the HIV-1 nucleocapsid-stem-loop 3 RNA complex. J Med Chem. 2012 May 10;55(9):4132-41. doi: 10.1021/jm2007694. Epub 2012 May 1. PMID: 22480197.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22480197/,,,,,,2847027,No,No,,,,
DBoRL1478,SL3 RNA_ligand18,2-phenyl-N-[4-(pyrrolidin-1-yl)phenyl]acetamide,O=C(Cc1ccccc1)Nc1ccc(N2CCCC2)cc1,"InChI=1S/C18H20N2O/c21-18(14-15-6-2-1-3-7-15)19-16-8-10-17(11-9-16)20-12-4-5-13-20/h1-3,6-11H,4-5,12-14H2,(H,19,21)",SLHLSAOQHYXDAQ-UHFFFAOYSA-N,C18H20N2O,Not Found,280.371,3.559137328,1,2,4,3,SL3 RNA,"Stem-loop 3 RNA (SL3) in ?-RNA is a highly conserved motif in different strains of HIV-1 and serves as a principle determinant for viral packaging. Viral encapsulation is critical for viral replication, and disruption of the nucleocapsid??-RNA complex interferes with viral replication. SL3 RNA_ligand18 Inhibits HIV-1 Nucleocapsid?Stem-Loop 3 RNA Complex, which interferes with viral replication process.",22480197,,,,,,"Warui DM, Baranger AM. Identification of small molecule inhibitors of the HIV-1 nucleocapsid-stem-loop 3 RNA complex. J Med Chem. 2012 May 10;55(9):4132-41. doi: 10.1021/jm2007694. Epub 2012 May 1. PMID: 22480197.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22480197/,,,,,,960678,No,No,,,,
DBoRL1479,SL3 RNA_ligand19,3-[3-(1H-imidazol-1-yl)propyl]-1-(4-methoxyphenyl)thiourea,COc1ccc(NC(=S)NCCCn2ccnc2)cc1,"InChI=1S/C14H18N4OS/c1-19-13-5-3-12(4-6-13)17-14(20)16-7-2-9-18-10-8-15-11-18/h3-6,8,10-11H,2,7,9H2,1H3,(H2,16,17,20)",VLASDOVTGWEWMG-UHFFFAOYSA-N,C14H18N4OS,433256-15-6,290.39,1.800171688,2,2,6,2,SL3 RNA,"Stem-loop 3 RNA (SL3) in ?-RNA is a highly conserved motif in different strains of HIV-1 and serves as a principle determinant for viral packaging. Viral encapsulation is critical for viral replication, and disruption of the nucleocapsid??-RNA complex interferes with viral replication. SL3 RNA_ligand19 Inhibits HIV-1 Nucleocapsid?Stem-Loop 3 RNA Complex, which interferes with viral replication process.",22480197,,,,,,"Warui DM, Baranger AM. Identification of small molecule inhibitors of the HIV-1 nucleocapsid-stem-loop 3 RNA complex. J Med Chem. 2012 May 10;55(9):4132-41. doi: 10.1021/jm2007694. Epub 2012 May 1. PMID: 22480197.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22480197/,,,,,,2917732,No,No,,,,
DBoRL1480,SL3 RNA_ligand20,1-(2-nitrobenzoyl)-3-[4-(pyrrolidin-1-yl)phenyl]thiourea,O=C(NC(=S)Nc1ccc(N2CCCC2)cc1)c1ccccc1[N+](=O)[O-],"InChI=1S/C18H18N4O3S/c23-17(15-5-1-2-6-16(15)22(24)25)20-18(26)19-13-7-9-14(10-8-13)21-11-3-4-12-21/h1-2,5-10H,3-4,11-12H2,(H2,19,20,23,26)",YOWCFOVIWZQVCO-UHFFFAOYSA-N,C18H18N4O3S,Not Found,370.43,4.063888493,2,4,4,3,SL3 RNA,"Stem-loop 3 RNA (SL3) in ?-RNA is a highly conserved motif in different strains of HIV-1 and serves as a principle determinant for viral packaging. Viral encapsulation is critical for viral replication, and disruption of the nucleocapsid??-RNA complex interferes with viral replication. SL3 RNA_ligand20 Inhibits HIV-1 Nucleocapsid?Stem-Loop 3 RNA Complex, which interferes with viral replication process.",22480197,,,,,,"Warui DM, Baranger AM. Identification of small molecule inhibitors of the HIV-1 nucleocapsid-stem-loop 3 RNA complex. J Med Chem. 2012 May 10;55(9):4132-41. doi: 10.1021/jm2007694. Epub 2012 May 1. PMID: 22480197.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22480197/,,,,,,1276206,No,No,,,,
DBoRL1481,SL3 RNA_ligand21,3-{N'-[(4-bromophenyl)methylidene]hydrazinecarbonyl}-1-(2-oxo-2-phenylethyl)pyridin-1-ium,O=C(C[n+]1cccc(C(=O)NN=Cc2ccc(Br)cc2)c1)c1ccccc1,"InChI=1S/C21H16BrN3O2/c22-19-10-8-16(9-11-19)13-23-24-21(27)18-7-4-12-25(14-18)15-20(26)17-5-2-1-3-6-17/h1-14H,15H2/p+1",JADPQVCFSSUQGH-UHFFFAOYSA-O,C21H17BrN3O2,Not Found,423.289,-0.19693106,1,3,6,3,SL3 RNA,"Stem-loop 3 RNA (SL3) in ?-RNA is a highly conserved motif in different strains of HIV-1 and serves as a principle determinant for viral packaging. Viral encapsulation is critical for viral replication, and disruption of the nucleocapsid??-RNA complex interferes with viral replication. SL3 RNA_ligand21 Inhibits HIV-1 Nucleocapsid?Stem-Loop 3 RNA Complex, which interferes with viral replication process.",22480197,,,,,,"Warui DM, Baranger AM. Identification of small molecule inhibitors of the HIV-1 nucleocapsid-stem-loop 3 RNA complex. J Med Chem. 2012 May 10;55(9):4132-41. doi: 10.1021/jm2007694. Epub 2012 May 1. PMID: 22480197.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22480197/,,,,,,2246935,No,No,,,,
DBoRL1482,SR-01000640071-1,"4-amino-2-[(2,3-dimethoxyphenyl)methylidene]-5-sulfanylidenethiolan-3-one",COc1cccc(C=C2SC(=S)C(N)C2=O)c1OC,"InChI=1/C13H13NO3S2/c1-16-8-5-3-4-7(12(8)17-2)6-9-11(15)10(14)13(18)19-9/h3-6,10H,14H2,1-2H3",LNVRCSRIYAEOOB-UHFFFAOYNA-N,C13H13NO3S2,Not Found,295.37,2.169236967,1,4,3,2,HIV-1 genomic SL2 rna,"The HIV-1 nucleocapsid (NC) is an RNA/DNA binding protein encoded within the Gag polyprotein, which is critical for the selection and chaperoning of viral genomic RNA during virion assembly. RNA/DNA binding occurs through a highly conserved zinc-knuckle motif present in NC. SR-01000640071-1 disrupt the NC-RNA/DNA interaction, hence the viral disrupts.",22587465,,,,,,"Breuer S, Chang MW, Yuan J, Torbett BE. Identification of HIV-1 inhibitors targeting the nucleocapsid protein. J Med Chem. 2012 Jun 14;55(11):4968-77. doi: 10.1021/jm201442t. Epub 2012 May 24. PMID: 22587465; PMCID: PMC3499629.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22587465/,,,,,,2796938,No,No,,,,
DBoRL1483,SR-01000642830-1,"4-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-phenyl-4,5-dihydro-1,2-oxazol-5-one",O=C1ON=C(c2ccccc2)C1=Cc1ccc2c(c1)OCO2,"InChI=1S/C17H11NO4/c19-17-13(16(18-22-17)12-4-2-1-3-5-12)8-11-6-7-14-15(9-11)21-10-20-14/h1-9H,10H2",HXPYADVNHOGEER-UHFFFAOYSA-N,C17H11NO4,Not Found,293.278,3.709853661,0,5,2,4,HIV-1 genomic SL2 rna,"The HIV-1 nucleocapsid (NC) is an RNA/DNA binding protein encoded within the Gag polyprotein, which is critical for the selection and chaperoning of viral genomic RNA during virion assembly. RNA/DNA binding occurs through a highly conserved zinc-knuckle motif present in NC. SR-01000642830-1 disrupt the NC-RNA/DNA interaction, hence the viral disrupts.",22587465,,,,,,"Breuer S, Chang MW, Yuan J, Torbett BE. Identification of HIV-1 inhibitors targeting the nucleocapsid protein. J Med Chem. 2012 Jun 14;55(11):4968-77. doi: 10.1021/jm201442t. Epub 2012 May 24. PMID: 22587465; PMCID: PMC3499629.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22587465/,,,,,,222981,No,No,,,,
DBoRL1484,SR-01000632920-1,1-ethoxy-2-methoxy-4-(2-nitroprop-1-en-1-yl)benzene,CCOc1ccc(C=C(C)[N+](=O)[O-])cc1OC,"InChI=1S/C12H15NO4/c1-4-17-11-6-5-10(8-12(11)16-3)7-9(2)13(14)15/h5-8H,4H2,1-3H3",GGJAAVDMUPIJAR-UHFFFAOYSA-N,C12H15NO4,Not Found,237.255,2.25045281,0,4,5,1,HIV-1 genomic SL2 rna,"The HIV-1 nucleocapsid (NC) is an RNA/DNA binding protein encoded within the Gag polyprotein, which is critical for the selection and chaperoning of viral genomic RNA during virion assembly. RNA/DNA binding occurs through a highly conserved zinc-knuckle motif present in NC. SR-01000632920-1 disrupt the NC-RNA/DNA interaction, hence the viral disrupts.",22587465,,,,,,"Breuer S, Chang MW, Yuan J, Torbett BE. Identification of HIV-1 inhibitors targeting the nucleocapsid protein. J Med Chem. 2012 Jun 14;55(11):4968-77. doi: 10.1021/jm201442t. Epub 2012 May 24. PMID: 22587465; PMCID: PMC3499629.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22587465/,,,,,,616962,No,No,,,,
DBoRL1485,SR-01000633319-1,"5-(2-nitroprop-1-en-1-yl)-2H-1,3-benzodioxole",CC(=Cc1ccc2c(c1)OCO2)[N+](=O)[O-],"InChI=1S/C10H9NO4/c1-7(11(12)13)4-8-2-3-9-10(5-8)15-6-14-9/h2-5H,6H2,1H3",CCEVJKZHAJJQJR-UHFFFAOYSA-N,C10H9NO4,5438-41-5,207.185,1.832220855,0,4,2,2,HIV-1 genomic SL2 rna,"The HIV-1 nucleocapsid (NC) is an RNA/DNA binding protein encoded within the Gag polyprotein, which is critical for the selection and chaperoning of viral genomic RNA during virion assembly. RNA/DNA binding occurs through a highly conserved zinc-knuckle motif present in NC. SR-01000633319-1 disrupt the NC-RNA/DNA interaction, hence the viral disrupts.",22587465,,,,,,"Breuer S, Chang MW, Yuan J, Torbett BE. Identification of HIV-1 inhibitors targeting the nucleocapsid protein. J Med Chem. 2012 Jun 14;55(11):4968-77. doi: 10.1021/jm201442t. Epub 2012 May 24. PMID: 22587465; PMCID: PMC3499629.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22587465/,,,,,,226317,No,No,,,,
DBoRL1486,SR-01000632457-1,"5-[(5-nitro-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one",O=C1NC(=S)SC1=Cc1cc([N+](=O)[O-])ccc1Sc1ccc(C(F)(F)F)cn1,"InChI=1S/C16H8F3N3O3S3/c17-16(18,19)9-1-4-13(20-7-9)27-11-3-2-10(22(24)25)5-8(11)6-12-14(23)21-15(26)28-12/h1-7H,(H,21,23,26)",BTRDSABWLMGZEK-UHFFFAOYSA-N,C16H8F3N3O3S3,Not Found,443.43,5.123195797,1,4,5,3,HIV-1 genomic SL2 rna,"The HIV-1 nucleocapsid (NC) is an RNA/DNA binding protein encoded within the Gag polyprotein, which is critical for the selection and chaperoning of viral genomic RNA during virion assembly. RNA/DNA binding occurs through a highly conserved zinc-knuckle motif present in NC. SR-01000632457-1 disrupt the NC-RNA/DNA interaction, hence the viral disrupts.",22587465,,,,,,"Breuer S, Chang MW, Yuan J, Torbett BE. Identification of HIV-1 inhibitors targeting the nucleocapsid protein. J Med Chem. 2012 Jun 14;55(11):4968-77. doi: 10.1021/jm201442t. Epub 2012 May 24. PMID: 22587465; PMCID: PMC3499629.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22587465/,,,,,,2747659,No,No,,,,
DBoRL1487,"6-Hexopyranosyl-8-methoxy-2H-[1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-5(6H)-one","14-methoxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.0?,?.0?,??.0??,??]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one",COc1cccc2c1cc1c3c(cc4c(c32)OCO4)C(=O)N1C1OC(CO)C(O)C(O)C1O,"InChI=1/C23H21NO9/c1-30-13-4-2-3-9-10(13)5-12-16-11(6-14-21(17(9)16)32-8-31-14)22(29)24(12)23-20(28)19(27)18(26)15(7-25)33-23/h2-6,15,18-20,23,25-28H,7-8H2,1H3",GIDCUQKCIZAUKW-UHFFFAOYNA-N,C23H21NO9,Not Found,455.419,-0.01349556,4,9,3,6,Poly(A)poly(U) ,"6-Hexopyranosyl-8-methoxy-2H-[1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-5(6H)-one binds with Poly(A)poly(U) region of RNA. The binding enhanced the melting temperature of poly(A)poly(U). For the binding, minor conformational changes also occur in RNA structure.",22596256,,,,,,"Das A, Suresh Kumar G. Probing the binding of two sugar bearing anticancer agents aristololactam-?-(D)-glucoside and daunomycin to double stranded RNA polynucleotides: a combined spectroscopic and calorimetric study. Mol Biosyst. 2012 Jul 6;8(7):1958-69. doi: 10.1039/c2mb25080b. Epub 2012 May 17. PMID: 22596256.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22596256/,,,,,,53462738,No,No,,,,
DBoRL1488,Aristololactam-beta- D -glucoside,"14-methoxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.0?,?.0?,??.0??,??]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one",[H]C1(CO)OC([H])(N2C(=O)C3=CC4=C(OCO4)C4=C3C2=CC2=C4C=CC=C2OC)C([H])(O)C([H])(O)C1([H])O,"InChI=1/C23H21NO9/c1-30-13-4-2-3-9-10(13)5-12-16-11(6-14-21(17(9)16)32-8-31-14)22(29)24(12)23-20(28)19(27)18(26)15(7-25)33-23/h2-6,15,18-20,23,25-28H,7-8H2,1H3",GIDCUQKCIZAUKW-UHFFFAOYNA-N,C23H21NO9,Not Found,455.419,-0.01349556,4,9,3,6,Poly(A)poly(U),"Aristololactam-beta- D -glucoside binds with poly(A)poly(U) region of RNA. The binding enhanced the melting temperature of poly(A)poly(U). For the binding, minor conformational changes also occur in RNA structure.",22596256,,,,,,"Das A, Suresh Kumar G. Probing the binding of two sugar bearing anticancer agents aristololactam-?-(D)-glucoside and daunomycin to double stranded RNA polynucleotides: a combined spectroscopic and calorimetric study. Mol Biosyst. 2012 Jul 6;8(7):1958-69. doi: 10.1039/c2mb25080b. Epub 2012 May 17. PMID: 22596256.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22596256/,,,,,,53462738,No,No,,,,
DBoRL1489,Aristololactam-beta- D -glucoside,"14-methoxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.0?,?.0?,??.0??,??]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one",[H]C1(CO)OC([H])(N2C(=O)C3=CC4=C(OCO4)C4=C3C2=CC2=C4C=CC=C2OC)C([H])(O)C([H])(O)C1([H])O,"InChI=1/C23H21NO9/c1-30-13-4-2-3-9-10(13)5-12-16-11(6-14-21(17(9)16)32-8-31-14)22(29)24(12)23-20(28)19(27)18(26)15(7-25)33-23/h2-6,15,18-20,23,25-28H,7-8H2,1H3",GIDCUQKCIZAUKW-UHFFFAOYNA-N,C23H21NO9,Not Found,455.419,-0.01349556,4,9,3,6,Poly(A)poly(U),"Aristololactam-beta- D -glucoside binds with poly(A)poly(U) region of RNA. The binding enhanced the melting temperature of poly(A)poly(U). For the binding, minor conformational changes also occur in RNA structure.",22596256,,,,,,"Das A, Suresh Kumar G. Probing the binding of two sugar bearing anticancer agents aristololactam-?-(D)-glucoside and daunomycin to double stranded RNA polynucleotides: a combined spectroscopic and calorimetric study. Mol Biosyst. 2012 Jul 6;8(7):1958-69. doi: 10.1039/c2mb25080b. Epub 2012 May 17. PMID: 22596256.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22596256/,,,,,,53462738,No,No,,,,
DBoRL1490,Aristololactam-beta- D -glucoside,"14-methoxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.0?,?.0?,??.0??,??]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one",[H]C1(CO)OC([H])(N2C(=O)C3=CC4=C(OCO4)C4=C3C2=CC2=C4C=CC=C2OC)C([H])(O)C([H])(O)C1([H])O,"InChI=1/C23H21NO9/c1-30-13-4-2-3-9-10(13)5-12-16-11(6-14-21(17(9)16)32-8-31-14)22(29)24(12)23-20(28)19(27)18(26)15(7-25)33-23/h2-6,15,18-20,23,25-28H,7-8H2,1H3",GIDCUQKCIZAUKW-UHFFFAOYNA-N,C23H21NO9,Not Found,455.419,-0.01349556,4,9,3,6,Poly(C)poly(G),"Aristololactam-beta- D -glucoside binds with poly(C)poly(G) region of RNA. The binding enhanced the melting temperature of Poly(C)poly(G). For the binding, minor conformational changes also occur in RNA structure.",22596256,,,,,,"Das A, Suresh Kumar G. Probing the binding of two sugar bearing anticancer agents aristololactam-?-(D)-glucoside and daunomycin to double stranded RNA polynucleotides: a combined spectroscopic and calorimetric study. Mol Biosyst. 2012 Jul 6;8(7):1958-69. doi: 10.1039/c2mb25080b. Epub 2012 May 17. PMID: 22596256.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22596256/,,,,,,53462738,No,No,,,,
DBoRL1491,Daunomycin,"(8S,10S)-8-acetyl-10-{[(4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione",COC1=C2C(=O)C3=C(O)C4=C(C[C@](O)(C[C@@H]4OC4C[C@@H](N)[C@@H](O)[C@@H](C)O4)C(C)=O)C(O)=C3C(=O)C2=CC=C1,"InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16+,17?,22+,27+/m1/s1",STQGQHZAVUOBTE-QBJHPDDPSA-N,C27H29NO10,Not Found,527.526,1.356178398,5,11,4,5,Poly(A)poly(U),"Daunomycin binds with poly(A)poly(U) region of RNA. The binding enhanced the melting temperature of poly(A)poly(U). For the binding, minor conformational changes also occur in RNA structure.",22596256,,,,,,"Das A, Suresh Kumar G. Probing the binding of two sugar bearing anticancer agents aristololactam-?-(D)-glucoside and daunomycin to double stranded RNA polynucleotides: a combined spectroscopic and calorimetric study. Mol Biosyst. 2012 Jul 6;8(7):1958-69. doi: 10.1039/c2mb25080b. Epub 2012 May 17. PMID: 22596256.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22596256/,,,,,,Not Found,Yes,Yes,,DB00694,https://go.drugbank.com/drugs/DB00694,This is the isomeric form of the drug approved by USFDA.
DBoRL1492,Daunomycin,"(8S,10S)-8-acetyl-10-{[(4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione",COC1=C2C(=O)C3=C(O)C4=C(C[C@](O)(C[C@@H]4OC4C[C@@H](N)[C@@H](O)[C@@H](C)O4)C(C)=O)C(O)=C3C(=O)C2=CC=C1,"InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16+,17?,22+,27+/m1/s1",STQGQHZAVUOBTE-QBJHPDDPSA-N,C27H29NO10,Not Found,527.526,1.356178398,5,11,4,5,Poly(C)poly(G),"Daunomycin binds with poly(C)poly(G) region of RNA. The binding enhanced the melting temperature of poly(C)poly(G). For the binding, minor conformational changes also occur in RNA structure.",22596256,,,,,,"Das A, Suresh Kumar G. Probing the binding of two sugar bearing anticancer agents aristololactam-?-(D)-glucoside and daunomycin to double stranded RNA polynucleotides: a combined spectroscopic and calorimetric study. Mol Biosyst. 2012 Jul 6;8(7):1958-69. doi: 10.1039/c2mb25080b. Epub 2012 May 17. PMID: 22596256.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22596256/,,,,,,Not Found,Yes,Yes,,DB00694,https://go.drugbank.com/drugs/DB00694,This is the isomeric form of the drug approved by USFDA.
DBoRL1493,Daunomycin,"(8S,10S)-8-acetyl-10-{[(4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione",COC1=C2C(=O)C3=C(O)C4=C(C[C@](O)(C[C@@H]4OC4C[C@@H](N)[C@@H](O)[C@@H](C)O4)C(C)=O)C(O)=C3C(=O)C2=CC=C1,"InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16+,17?,22+,27+/m1/s1",STQGQHZAVUOBTE-QBJHPDDPSA-N,C27H29NO10,Not Found,527.526,1.356178398,5,11,4,5,Poly(I)poly(C),"Daunomycin binds with poly(I)poly(C) region of RNA. The binding enhanced the melting temperature of poly(I)poly(C). For the binding, minor conformational changes also occur in RNA structure.",22596256,,,,,,"Das A, Suresh Kumar G. Probing the binding of two sugar bearing anticancer agents aristololactam-?-(D)-glucoside and daunomycin to double stranded RNA polynucleotides: a combined spectroscopic and calorimetric study. Mol Biosyst. 2012 Jul 6;8(7):1958-69. doi: 10.1039/c2mb25080b. Epub 2012 May 17. PMID: 22596256.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22596256/,,,,,,Not Found,Yes,Yes,,DB00694,https://go.drugbank.com/drugs/DB00694,This is the isomeric form of the drug approved by USFDA.
DBoRL1494,Daunorubicin,"8-acetyl-10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione",COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N)C(O)C(C)O1,"InChI=1/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3",STQGQHZAVUOBTE-UHFFFAOYNA-N,C27H29NO10,Not Found,527.526,1.356178398,5,11,4,5,Poly(A)poly(U),"Daunorubicin binds with Poly(A)poly(U) region of RNA. The binding enhanced the melting temperature of poly(A)poly(U). For the binding, minor conformational changes also occur in RNA structure.",22596256,,,,,,"Das A, Suresh Kumar G. Probing the binding of two sugar bearing anticancer agents aristololactam-?-(D)-glucoside and daunomycin to double stranded RNA polynucleotides: a combined spectroscopic and calorimetric study. Mol Biosyst. 2012 Jul 6;8(7):1958-69. doi: 10.1039/c2mb25080b. Epub 2012 May 17. PMID: 22596256.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22596256/,,,,,,2958,Yes,Yes,,DB00694,https://go.drugbank.com/drugs/DB00694,
DBoRL1495,"[5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate","{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy})phosphinic acid",Nc1nc2c(ncn2C2OC(COP(=O)(O)OC3C(CO)OC(n4cnc5c(=O)[nH]c(N)nc54)C3O)C(O)C2O)c(=O)[nH]1,"InChI=1/C20H25N10O12P/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-10(33)9(32)6(41-17)2-39-43(37,38)42-12-5(1-31)40-18(11(12)34)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H3,21,25,27,35)(H3,22,26,28,36)",MNXLMHSUERRXOE-UHFFFAOYNA-N,C20H25N10O12P,Not Found,628.452,-4.722718535,9,16,8,6,Vibrio cholerae c-di-GMP-I aptamer Vc2 110 RNA,"[5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate binds with V. cholerae c-di-GMP-I aptamer Vc2 110 RNA and control the expression of genes which are involved with bacterial physiology.",22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,135602160,No,No,,,,
DBoRL1496,2 (c-dGpGp),"8,17-bis(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,9,12-trihydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",Nc1nc2c(ncn2C2CC3OP(=O)(O)OCC4OC(n5cnc6c(=O)[nH]c(N)nc65)C(O)C4OP(=O)(O)OCC3O2)c(=O)[nH]1,"InChI=1/C20H24N10O13P2/c21-19-25-14-10(16(32)27-19)23-4-29(14)9-1-6-7(40-9)2-38-45(36,37)43-13-8(3-39-44(34,35)42-6)41-18(12(13)31)30-5-24-11-15(30)26-20(22)28-17(11)33/h4-9,12-13,18,31H,1-3H2,(H,34,35)(H,36,37)(H3,21,25,27,32)(H3,22,26,28,33)",VTFOABNDBKHWCQ-UHFFFAOYNA-N,C20H24N10O13P2,Not Found,674.417,-3.18641126,7,15,2,7,Vibrio cholerae c-di-GMP-I aptamer Vc2 110 RNA,2 (c-dGpGp) binds with V. cholerae c-di-GMP-I aptamer Vc2 110 RNA and control the expression of genes which are involved with bacterial physiology.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL1497,3 (c-dGpGps),"8,17-bis(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,9,18-trihydroxy-12-sulfanyl-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",Nc1nc2c(ncn2C2OC3COP(=O)(S)OC4C(COP(=O)(O)OC3C2O)OC(n2cnc3c(=O)[nH]c(N)nc32)C4O)c(=O)[nH]1,"InChI=1/C20H24N10O13P2S/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-6(41-17)2-39-45(37,46)43-12-5(1-38-44(35,36)42-11)40-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,46)(H3,21,25,27,33)(H3,22,26,28,34)",MKDAOQJBHSOXAD-UHFFFAOYNA-N,C20H24N10O13P2S,Not Found,706.48,-3.171792548,8,15,2,7,Vibrio cholerae c-di-GMP-I aptamer Vc2 110 RNA,3 (c-dGpGps) binds with V. cholerae c-di-GMP-I aptamer Vc2 110 RNA and control the expression of genes which are involved with bacterial physiology.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL1498,4 (c-dGpAp),"8-(6-amino-6,9-dihydro-1H-purin-9-yl)-17-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",Nc1nc2c(ncn2C2OC3COP(=O)(O)OC4C(COP(=O)(O)OC3C2O)OC(n2cnc3c2N=CNC3N)C4O)c(=O)[nH]1,"InChI=1/C20H26N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-10(31)12-6(40-18)1-38-45(36,37)43-13-7(2-39-44(34,35)42-12)41-19(11(13)32)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-14,18-19,31-32H,1-2,21H2,(H,23,24)(H,34,35)(H,36,37)(H3,22,27,28,33)",FUSHFWHPGJWEOM-UHFFFAOYNA-N,C20H26N10O13P2,Not Found,676.433,-4.78618342,8,16,2,7,Vibrio cholerae c-di-GMP-I aptamer Vc2 110 RNA,4 (c-dGpAp) binds with V. cholerae c-di-GMP-I aptamer Vc2 110 RNA and control the expression of genes which are involved with bacterial physiology.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL1499,5 (2'-OTBDMS CDG),"8,17-bis(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-9,18-bis[(tert-butyldimethylsilyl)oxy]-3,12-dihydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",CC(C)(C)[Si](C)(C)OC1C2OP(=O)(O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)C(O[Si](C)(C)C(C)(C)C)C3OP(=O)(O)OCC2OC1n1cnc2c(=O)[nH]c(N)nc21,"InChI=1/C32H52N10O14P2Si2/c1-31(2,3)59(7,8)55-21-19-15(51-27(21)41-13-35-17-23(41)37-29(33)39-25(17)43)11-49-58(47,48)54-20-16(12-50-57(45,46)53-19)52-28(22(20)56-60(9,10)32(4,5)6)42-14-36-18-24(42)38-30(34)40-26(18)44/h13-16,19-22,27-28H,11-12H2,1-10H3,(H,45,46)(H,47,48)(H3,33,37,39,43)(H3,34,38,40,44)",IHZOYSYYLFAZTH-UHFFFAOYNA-N,C32H52N10O14P2Si2,Not Found,918.942,0.656862324,6,16,8,7,Vibrio cholerae c-di-GMP-I aptamer Vc2 110 RNA,5 (2'-OTBDMS CDG) binds with V. cholerae c-di-GMP-I aptamer Vc2 110 RNA and control the expression of genes which are involved with bacterial physiology.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL1500,Compound 10,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-4-[(tert-butyldimethylsilyl)oxy]oxolan-2-yl]methyl}phosphonic acid",CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)OCC2OC(n3cnc4c(=O)[nH]c(N)nc43)C(O)C2O)C(CP(=O)(O)O)OC1n1cnc2c(=O)[nH]c(N)nc21,"InChI=1/C26H40N10O14P2Si/c1-26(2,3)53(4,5)50-17-16(11(7-51(41,42)43)48-23(17)36-9-30-13-19(36)32-25(28)34-21(13)40)49-52(44,45)46-6-10-14(37)15(38)22(47-10)35-8-29-12-18(35)31-24(27)33-20(12)39/h8-11,14-17,22-23,37-38H,6-7H2,1-5H3,(H,44,45)(H2,41,42,43)(H3,27,31,33,39)(H3,28,32,34,40)",SPOUUIUEZOXALS-UHFFFAOYNA-N,C26H40N10O14P2Si,Not Found,806.695,-3.825503187,9,18,12,6,Vibrio cholerae c-di-GMP-I aptamer Vc2 110 RNA,Compound 10 binds with V. cholerae c-di-GMP-I aptamer Vc2 110 RNA and control the expression of genes which are involved with bacterial physiology.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL1501,Compound 11,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy}({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid",COC1C(OP(=O)(O)OCC2OC(n3cnc4c(=O)[nH]c(N)nc43)C(O)C2O)C(CO)OC1n1cnc2c(=O)[nH]c(N)nc21,"InChI=1/C21H27N10O12P/c1-39-13-12(6(2-32)41-19(13)31-5-25-9-15(31)27-21(23)29-17(9)36)43-44(37,38)40-3-7-10(33)11(34)18(42-7)30-4-24-8-14(30)26-20(22)28-16(8)35/h4-7,10-13,18-19,32-34H,2-3H2,1H3,(H,37,38)(H3,22,26,28,35)(H3,23,27,29,36)",UQTAZHLWPJRHIM-UHFFFAOYNA-N,C21H27N10O12P,Not Found,642.479,-4.171544812,8,16,9,6,Vibrio cholerae c-di-GMP-I aptamer Vc2 110 RNA,Compound 11 binds with V. cholerae c-di-GMP-I aptamer Vc2 110 RNA and control the expression of genes which are involved with bacterial physiology.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL1502,Compound 12,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-4-methoxyoxolan-2-yl]methyl}phosphonic acid",COC1C(OP(=O)(O)OCC2OC(n3cnc4c(=O)[nH]c(N)nc43)C(O)C2O)C(CP(=O)(O)O)OC1n1cnc2c(=O)[nH]c(N)nc21,"InChI=1/C21H28N10O14P2/c1-41-13-12(7(3-46(36,37)38)44-19(13)31-5-25-9-15(31)27-21(23)29-17(9)35)45-47(39,40)42-2-6-10(32)11(33)18(43-6)30-4-24-8-14(30)26-20(22)28-16(8)34/h4-7,10-13,18-19,32-33H,2-3H2,1H3,(H,39,40)(H2,36,37,38)(H3,22,26,28,34)(H3,23,27,29,35)",FZKFBXBULDAMLU-UHFFFAOYNA-N,C21H28N10O14P2,Not Found,706.459,-5.398150538,9,18,10,6,Vibrio cholerae c-di-GMP-I aptamer Vc2 110 RNA,Compound 12 binds with V. cholerae c-di-GMP-I aptamer Vc2 110 RNA and control the expression of genes which are involved with bacterial physiology.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL1503,Compound 13,"[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl sulfanylphosphonate",Nc1nc2c(ncn2C2OC(COP(=O)(S)OC3C(CO)OC(n4cnc5c(=O)[nH]c(N)nc54)C3O)C(O)C2O)c(=O)[nH]1,"InChI=1/C20H25N10O11PS/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-10(33)9(32)6(40-17)2-38-42(37,43)41-12-5(1-31)39-18(11(12)34)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,43)(H3,21,25,27,35)(H3,22,26,28,36)",WKMLWJBINUBFJY-UHFFFAOYNA-N,C20H25N10O11PS,Not Found,644.51,-3.96009166,9,15,8,6,Vibrio cholerae c-di-GMP-I aptamer Vc2 110 RNA,Compound 13 binds with V. cholerae c-di-GMP-I aptamer Vc2 110 RNA and control the expression of genes which are involved with bacterial physiology.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL1504,Compound 14,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(sulfanyl)phosphoryl)oxy]-4-hydroxyoxolan-2-yl]methyl}phosphonic acid",Nc1nc2c(ncn2C2OC(COP(=O)(S)OC3C(CP(=O)(O)O)OC(n4cnc5c(=O)[nH]c(N)nc54)C3O)C(O)C2O)c(=O)[nH]1,"InChI=1/C20H26N10O13P2S/c21-19-25-13-7(15(34)27-19)23-3-29(13)17-10(32)9(31)5(41-17)1-40-45(39,46)43-12-6(2-44(36,37)38)42-18(11(12)33)30-4-24-8-14(30)26-20(22)28-16(8)35/h3-6,9-12,17-18,31-33H,1-2H2,(H,39,46)(H2,36,37,38)(H3,21,25,27,34)(H3,22,26,28,35)",UGGAITBBIGSAEC-UHFFFAOYNA-N,C20H26N10O13P2S,Not Found,708.49,-5.010888835,10,17,9,6,Vibrio cholerae c-di-GMP-I aptamer Vc2 110 RNA,Compound 14 binds with V. cholerae c-di-GMP-I aptamer Vc2 110 RNA and control the expression of genes which are involved with bacterial physiology.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL1505,Compound 15,"5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl [5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfanylphosphonate",Nc1nc2c(ncn2C2CC(OP(=O)(S)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)C(O)C3O)C(CO)O2)c(=O)[nH]1,"InChI=1/C20H25N10O10PS/c21-19-25-14-10(16(34)27-19)23-4-29(14)9-1-6(7(2-31)38-9)40-41(36,42)37-3-8-12(32)13(33)18(39-8)30-5-24-11-15(30)26-20(22)28-17(11)35/h4-9,12-13,18,31-33H,1-3H2,(H,36,42)(H3,21,25,27,34)(H3,22,26,28,35)",WXPPHLVQRJTDKW-UHFFFAOYNA-N,C20H25N10O10PS,Not Found,628.51,-3.155478475,8,14,8,6,Vibrio cholerae c-di-GMP-I aptamer Vc2 110 RNA,Compound 15 binds with V. cholerae c-di-GMP-I aptamer Vc2 110 RNA and control the expression of genes which are involved with bacterial physiology.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL1506,Compound16,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(sulfanyl)phosphoryl)oxy]oxolan-2-yl]methyl}phosphonic acid",Nc1nc2c(ncn2C2CC(OP(=O)(S)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)C(O)C3O)C(CP(=O)(O)O)O2)c(=O)[nH]1,"InChI=1/C20H26N10O12P2S/c21-19-25-14-10(16(33)27-19)23-4-29(14)9-1-6(8(40-9)3-43(35,36)37)42-44(38,45)39-2-7-12(31)13(32)18(41-7)30-5-24-11-15(30)26-20(22)28-17(11)34/h4-9,12-13,18,31-32H,1-3H2,(H,38,45)(H2,35,36,37)(H3,21,25,27,33)(H3,22,26,28,34)",GXVQCBHZWNILBW-UHFFFAOYNA-N,C20H26N10O12P2S,Not Found,692.49,-4.189951252,9,16,9,6,Vibrio cholerae c-di-GMP-I aptamer Vc2 110 RNA,Compound 16 binds with V. cholerae c-di-GMP-I aptamer Vc2 110 RNA and control the expression of genes which are involved with bacterial physiology.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL1507,Compound 17,"[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-4-[(tert-butyldimethylsilyl)oxy]-2-(hydroxymethyl)oxolan-3-yl sulfanylphosphonate",CC(C)(C)[Si](C)(C)OC1C(OP(=O)(S)OCC2OC(n3cnc4c(=O)[nH]c(N)nc43)C(O)C2O)C(CO)OC1n1cnc2c(=O)[nH]c(N)nc21,"InChI=1/C26H39N10O11PSSi/c1-26(2,3)50(4,5)47-17-16(10(6-37)44-23(17)36-9-30-13-19(36)32-25(28)34-21(13)41)46-48(42,49)43-7-11-14(38)15(39)22(45-11)35-8-29-12-18(35)31-24(27)33-20(12)40/h8-11,14-17,22-23,37-39H,6-7H2,1-5H3,(H,42,49)(H3,27,31,33,40)(H3,28,32,34,41)",RTQCRDMZDOKWJD-UHFFFAOYNA-N,C26H39N10O11PSSi,Not Found,758.78,-1.967969385,8,15,11,6,Vibrio cholerae c-di-GMP-I aptamer Vc2 110 RNA,Compound 17 binds with V. cholerae c-di-GMP-I aptamer Vc2 110 RNA and control the expression of genes which are involved with bacterial physiology.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL1508,Compound 18,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(sulfanyl)phosphoryl)oxy]-4-[(tert-butyldimethylsilyl)oxy]oxolan-2-yl]methyl}phosphonic acid",CC(C)(C)[Si](C)(C)OC1C(OP(=O)(S)OCC2OC(n3cnc4c(=O)[nH]c(N)nc43)C(O)C2O)C(CP(=O)(O)O)OC1n1cnc2c(=O)[nH]c(N)nc21,"InChI=1/C26H40N10O13P2SSi/c1-26(2,3)53(4,5)49-17-16(11(7-50(41,42)43)47-23(17)36-9-30-13-19(36)32-25(28)34-21(13)40)48-51(44,52)45-6-10-14(37)15(38)22(46-10)35-8-29-12-18(35)31-24(27)33-20(12)39/h8-11,14-17,22-23,37-38H,6-7H2,1-5H3,(H,44,52)(H2,41,42,43)(H3,27,31,33,39)(H3,28,32,34,40)",QVEPHRKKFJQMAB-UHFFFAOYNA-N,C26H40N10O13P2SSi,Not Found,822.76,-2.698053012,9,17,12,6,Vibrio cholerae c-di-GMP-I aptamer Vc2 110 RNA,Compound 18 binds with V. cholerae c-di-GMP-I aptamer Vc2 110 RNA and control the expression of genes which are involved with bacterial physiology.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL1509,Compound 19,"5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl [5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfanylphosphonate",COC1C(OP(=O)(S)OCC2OC(n3cnc4c(=O)[nH]c(N)nc43)C(O)C2O)C(CO)OC1n1cnc2c(=O)[nH]c(N)nc21,"InChI=1/C21H27N10O11PS/c1-38-13-12(6(2-32)40-19(13)31-5-25-9-15(31)27-21(23)29-17(9)36)42-43(37,44)39-3-7-10(33)11(34)18(41-7)30-4-24-8-14(30)26-20(22)28-16(8)35/h4-7,10-13,18-19,32-34H,2-3H2,1H3,(H,37,44)(H3,22,26,28,35)(H3,23,27,29,36)",LVSDDVVGCSYEGS-UHFFFAOYNA-N,C21H27N10O11PS,Not Found,658.54,-3.410788952,8,15,9,6,Vibrio cholerae c-di-GMP-I aptamer Vc2 110 RNA,Compound 19 binds with V. cholerae c-di-GMP-I aptamer Vc2 110 RNA and control the expression of genes which are involved with bacterial physiology.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL1510,Compound 20,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(sulfanyl)phosphoryl)oxy]-4-methoxyoxolan-2-yl]methyl}phosphonic acid",COC1C(OP(=O)(S)OCC2OC(n3cnc4c(=O)[nH]c(N)nc43)C(O)C2O)C(CP(=O)(O)O)OC1n1cnc2c(=O)[nH]c(N)nc21,"InChI=1/C21H28N10O13P2S/c1-40-13-12(7(3-45(36,37)38)43-19(13)31-5-25-9-15(31)27-21(23)29-17(9)35)44-46(39,47)41-2-6-10(32)11(33)18(42-6)30-4-24-8-14(30)26-20(22)28-16(8)34/h4-7,10-13,18-19,32-33H,2-3H2,1H3,(H,39,47)(H2,36,37,38)(H3,22,26,28,34)(H3,23,27,29,35)",VTNSJBQLNDTQFY-UHFFFAOYNA-N,C21H28N10O13P2S,Not Found,722.52,-4.3858902,9,17,10,6,Vibrio cholerae c-di-GMP-I aptamer Vc2 110 RNA,Compound 20 binds with V. cholerae c-di-GMP-I aptamer Vc2 110 RNA and control the expression of genes which are involved with bacterial physiology.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL1511,Compound 4,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-4-hydroxyoxolan-2-yl]methyl}phosphonic acid",Nc1nc2c(ncn2C2OC(COP(=O)(O)OC3C(CP(=O)(O)O)OC(n4cnc5c(=O)[nH]c(N)nc54)C3O)C(O)C2O)c(=O)[nH]1,"InChI=1/C20H26N10O14P2/c21-19-25-13-7(15(34)27-19)23-3-29(13)17-10(32)9(31)5(42-17)1-41-46(39,40)44-12-6(2-45(36,37)38)43-18(11(12)33)30-4-24-8-14(30)26-20(22)28-16(8)35/h3-6,9-12,17-18,31-33H,1-2H2,(H,39,40)(H2,36,37,38)(H3,21,25,27,34)(H3,22,26,28,35)",QCJAHFAJCIYKFH-UHFFFAOYNA-N,C20H26N10O14P2,Not Found,692.432,-5.847831644,10,18,9,6,Vibrio cholerae c-di-GMP-I aptamer Vc2 110 RNA,Compound 4 binds with V. cholerae c-di-GMP-I aptamer Vc2 110 RNA and control the expression of genes which are involved with bacterial physiology.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL1512,Compound 5,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy}({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid",Nc1nc2c(ncn2C2CC(OP(=O)(O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)C(O)C3O)C(CO)O2)c(=O)[nH]1,"InChI=1/C20H25N10O11P/c21-19-25-14-10(16(34)27-19)23-4-29(14)9-1-6(7(2-31)39-9)41-42(36,37)38-3-8-12(32)13(33)18(40-8)30-5-24-11-15(30)26-20(22)28-17(11)35/h4-9,12-13,18,31-33H,1-3H2,(H,36,37)(H3,21,25,27,34)(H3,22,26,28,35)",TZVKZAMVJDQYPZ-UHFFFAOYNA-N,C20H25N10O11P,Not Found,612.453,-3.915263983,8,15,8,6,Vibrio cholerae c-di-GMP-I aptamer Vc2 110 RNA,Compound 5 binds with V. cholerae c-di-GMP-I aptamer Vc2 110 RNA and control the expression of genes which are involved with bacterial physiology.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL1513,Compound 6,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]oxolan-2-yl]methyl}phosphonic acid",Nc1nc2c(ncn2C2CC(OP(=O)(O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)C(O)C3O)C(CP(=O)(O)O)O2)c(=O)[nH]1,"InChI=1/C20H26N10O13P2/c21-19-25-14-10(16(33)27-19)23-4-29(14)9-1-6(8(41-9)3-44(35,36)37)43-45(38,39)40-2-7-12(31)13(32)18(42-7)30-5-24-11-15(30)26-20(22)28-17(11)34/h4-9,12-13,18,31-32H,1-3H2,(H,38,39)(H2,35,36,37)(H3,21,25,27,33)(H3,22,26,28,34)",OSRHZWQMIIOPAM-UHFFFAOYNA-N,C20H26N10O13P2,Not Found,676.433,-5.199396837,9,17,9,6,Vibrio cholerae c-di-GMP-I aptamer Vc2 110 RNA,Compound 6 binds with V. cholerae c-di-GMP-I aptamer Vc2 110 RNA and control the expression of genes which are involved with bacterial physiology.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL1514,Compound 7,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-2-methyloxolan-3-yl]oxy}({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy})phosphinic acid",CC1OC(n2cnc3c(=O)[nH]c(N)nc32)CC1OP(=O)(O)OCC1OC(n2cnc3c(=O)[nH]c(N)nc32)CC1O,"InChI=1/C20H25N10O9P/c1-7-9(3-12(37-7)30-6-24-14-16(30)26-20(22)28-18(14)33)39-40(34,35)36-4-10-8(31)2-11(38-10)29-5-23-13-15(29)25-19(21)27-17(13)32/h5-12,31H,2-4H2,1H3,(H,34,35)(H3,21,25,27,32)(H3,22,26,28,33)",JABPJPUVRPZNEW-UHFFFAOYNA-N,C20H25N10O9P,Not Found,580.455,-2.063978416,6,13,7,6,Vibrio cholerae c-di-GMP-I aptamer Vc2 110 RNA,Compound 7 binds with V. cholerae c-di-GMP-I aptamer Vc2 110 RNA and control the expression of genes which are involved with bacterial physiology.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL1515,Compound 8,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]oxolan-2-yl]methyl}phosphonic acid",Nc1nc2c(ncn2C2CC(O)C(COP(=O)(O)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3CP(=O)(O)O)O2)c(=O)[nH]1,"InChI=1/C20H26N10O12P2/c21-19-25-15-13(17(32)27-19)23-5-29(15)11-1-7(31)9(40-11)3-39-44(37,38)42-8-2-12(41-10(8)4-43(34,35)36)30-6-24-14-16(30)26-20(22)28-18(14)33/h5-12,31H,1-4H2,(H,37,38)(H2,34,35,36)(H3,21,25,27,32)(H3,22,26,28,33)",ZVXPESMFRXEBOC-UHFFFAOYNA-N,C20H26N10O12P2,Not Found,660.434,-4.427708496,8,16,9,6,Vibrio cholerae c-di-GMP-I aptamer Vc2 110 RNA,Compound 8 binds with V. cholerae c-di-GMP-I aptamer Vc2 110 RNA and control the expression of genes which are involved with bacterial physiology.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL1516,Compound 9,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-4-[(tert-butyldimethylsilyl)oxy]-2-(hydroxymethyl)oxolan-3-yl]oxy})phosphinic acid",CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)OCC2OC(n3cnc4c(=O)[nH]c(N)nc43)C(O)C2O)C(CO)OC1n1cnc2c(=O)[nH]c(N)nc21,"InChI=1/C26H39N10O12PSi/c1-26(2,3)50(4,5)48-17-16(10(6-37)45-23(17)36-9-30-13-19(36)32-25(28)34-21(13)41)47-49(42,43)44-7-11-14(38)15(39)22(46-11)35-8-29-12-18(35)31-24(27)33-20(12)40/h8-11,14-17,22-23,37-39H,6-7H2,1-5H3,(H,42,43)(H3,27,31,33,40)(H3,28,32,34,41)",SZFBDQGTBYQUCU-UHFFFAOYNA-N,C26H39N10O12PSi,Not Found,742.715,-3.021356643,8,16,11,6,Vibrio cholerae c-di-GMP-I aptamer Vc2 110 RNA,Compound 9 binds with V. cholerae c-di-GMP-I aptamer Vc2 110 RNA and control the expression of genes which are involved with bacterial physiology.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL1517,9-O-( ?-amino) alkyl ether berberine analogs BC1,"16-(3-aminopropoxy)-17-methoxy-5,7-dioxa-13??-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2(10),3,8,14,16,18,20-octaen-13-ylium",COC1=CC=C2C=C3C4=C(CC[N+]3=CC2=C1OCCCN)C=C1OCOC1=C4,"InChI=1S/C22H23N2O4/c1-25-19-4-3-14-9-18-16-11-21-20(27-13-28-21)10-15(16)5-7-24(18)12-17(14)22(19)26-8-2-6-23/h3-4,9-12H,2,5-8,13,23H2,1H3/q+1",WRRUXXWWAOHIOC-UHFFFAOYSA-N,C22H23N2O4,Not Found,379.435,-2.020336355,1,5,5,5,triplex: poly(U) poly(A).poly(U),9-O-( ?-amino) alkyl ether berberine analogue effectively interact with RNA Triplex poly(U)Npoly(A)*poly(U) which results strong stabilization.,22666416,,,,,,"Bhowmik D, Das S, Hossain M, Haq L, Suresh Kumar G. Biophysical characterization of the strong stabilization of the RNA triplex poly(U)?poly(A)*poly(U) by 9-O-(?-amino) alkyl ether berberine analogs. PLoS One. 2012;7(5):e37939. doi: 10.1371/journal.pone.0037939. Epub 2012 May 29. PMID: 22666416; PMCID: PMC3362543.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22666416/,,,,,,90665291,No,No,,,,
DBoRL1518,BC (berberin),"16,17-dimethoxy-5,7-dioxa-13??-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2(10),3,8,14,16,18,20-octaen-13-ylium",COC1=CC=C2C=C3C4=C(CC[N+]3=CC2=C1OC)C=C1OCOC1=C4,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",YBHILYKTIRIUTE-UHFFFAOYSA-N,C20H18NO4,2086-83-1,336.366,-1.283312286,0,4,2,5,triplex: poly(U) Npoly(A).poly(U),Berberine binds to the RNA triplex non-cooperatively. Berberine interacts with RNA Triplex poly(U)Npoly(A)*poly(U) by 9-O-(v-amino) and strongly stabilize it.,22666416,,,,,,"Bhowmik D, Das S, Hossain M, Haq L, Suresh Kumar G. Biophysical characterization of the strong stabilization of the RNA triplex poly(U)?poly(A)*poly(U) by 9-O-(?-amino) alkyl ether berberine analogs. PLoS One. 2012;7(5):e37939. doi: 10.1371/journal.pone.0037939. Epub 2012 May 29. PMID: 22666416; PMCID: PMC3362543.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22666416/,,,,,,2353,Yes,Yes,Investigational,DB04115,https://go.drugbank.com/drugs/DB04115,
DBoRL1519,CHEMBL3217842,"16-(3-aminopropoxy)-17-methoxy-5,7-dioxa-13??-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium",COc1ccc2cc3[n+](cc2c1OCCCN)CCc1cc2c(cc1-3)OCO2,"InChI=1S/C22H23N2O4/c1-25-19-4-3-14-9-18-16-11-21-20(27-13-28-21)10-15(16)5-7-24(18)12-17(14)22(19)26-8-2-6-23/h3-4,9-12H,2,5-8,13,23H2,1H3/q+1",WRRUXXWWAOHIOC-UHFFFAOYSA-N,C22H23N2O4,Not Found,379.435,-2.020336355,1,5,5,5,RNA triplex,The compound binds with RNA Triplex poly(U).poly(A).poly(U) sequence and strongly stabilize it.,22666416,,,,,,"Bhowmik D, Das S, Hossain M, Haq L, Suresh Kumar G. Biophysical characterization of the strong stabilization of the RNA triplex poly(U)?poly(A)*poly(U) by 9-O-(?-amino) alkyl ether berberine analogs. PLoS One. 2012;7(5):e37939. doi: 10.1371/journal.pone.0037939. Epub 2012 May 29. PMID: 22666416; PMCID: PMC3362543.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22666416/,,,,,,90665291,No,No,,,,
DBoRL1520,CHEMBL3217845,"16-[(6-aminohexyl)oxy]-17-methoxy-5,7-dioxa-13??-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium",COc1ccc2cc3[n+](cc2c1OCCCCCCN)CCc1cc2c(cc1-3)OCO2,"InChI=1S/C25H29N2O4/c1-28-22-7-6-17-12-21-19-14-24-23(30-16-31-24)13-18(19)8-10-27(21)15-20(17)25(22)29-11-5-3-2-4-9-26/h6-7,12-15H,2-5,8-11,16,26H2,1H3/q+1",RRSQTDSSDCOHJU-UHFFFAOYSA-N,C25H29N2O4,Not Found,421.516,-0.613836354,1,5,8,5,RNA triplex,The compound binds with RNA Triplex poly(U).poly(A).poly(U) sequence and strongly stabilize it.,22666416,,,,,,"Bhowmik D, Das S, Hossain M, Haq L, Suresh Kumar G. Biophysical characterization of the strong stabilization of the RNA triplex poly(U)?poly(A)*poly(U) by 9-O-(?-amino) alkyl ether berberine analogs. PLoS One. 2012;7(5):e37939. doi: 10.1371/journal.pone.0037939. Epub 2012 May 29. PMID: 22666416; PMCID: PMC3362543.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22666416/,,,,,,90665294,No,No,,,,
DBoRL1521,Aristololactam Beta D-glucoside ,"14-methoxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.0?,?.0?,??.0??,??]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one",COc1cccc2c1cc1c3c(cc4c(c32)OCO4)C(=O)N1C1OC(CO)C(O)C(O)C1O,"InChI=1/C23H21NO9/c1-30-13-4-2-3-9-10(13)5-12-16-11(6-14-21(17(9)16)32-8-31-14)22(29)24(12)23-20(28)19(27)18(26)15(7-25)33-23/h2-6,15,18-20,23,25-28H,7-8H2,1H3",GIDCUQKCIZAUKW-UHFFFAOYNA-N,C23H21NO9,Not Found,455.419,-0.01349556,4,9,3,6,Yeast t-RNA Phe,Aristololactam Beta D-glucoside binds with Yeast t-RNA phe & interfare in decoding during protein translation.,22750990,,,,,,"Kumar GS. RNA targeting by small molecules: Binding of protoberberine, benzophenanthridine and aristolochia alkaloids to various RNA structures. J Biosci. 2012 Jul;37(3):539-52. doi: 10.1007/s12038-012-9217-3. PMID: 22750990.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22750990/,,,,,,53462738,No,No,,,,
DBoRL1522,Palmataine,"3,4,10,11-tetramethoxy-7,8,8a,9,10,11,12,12a-octahydro-6??-azatetraphen-6-ylium",COc1ccc2cc3[n+](cc2c1OC)CCC1CC(OC)C(OC)CC31,"InChI=1/C21H28NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9,12,14-15,19-20H,7-8,10-11H2,1-4H3/q+1",ZAKIBFRKTWSHCP-UHFFFAOYNA-N,C21H28NO4,Not Found,358.457,-2.096520474,0,4,4,4,Yeast t-RNA Phe,Palmatine (cytotoxic plant alkaloids) is a lead compound that exercise high specificity to single stranded poly(A) molecules. Palmatine bind with Yeast t-RNA Phe and show it's activity in vitro and in vivo.,22750990,,,,,,"Kumar GS. RNA targeting by small molecules: Binding of protoberberine, benzophenanthridine and aristolochia alkaloids to various RNA structures. J Biosci. 2012 Jul;37(3):539-52. doi: 10.1007/s12038-012-9217-3. PMID: 22750990.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22750990/,,,,,,Not Found,No,No,,,,
DBoRL1523,(+/-)-Tylophorine,"4,5,10,11-tetramethoxy-16-azapentacyclo[12.7.0.0?,?.0?,??.0??,??]henicosa-1(14),2(7),3,5,8(13),9,11-heptaene",COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN1CCCC1C3,"InChI=1/C24H27NO4/c1-26-21-9-16-15-8-14-6-5-7-25(14)13-20(15)19-12-24(29-4)23(28-3)11-18(19)17(16)10-22(21)27-2/h9-12,14H,5-8,13H2,1-4H3",SSEUDFYBEOIWGF-UHFFFAOYNA-N,C24H27NO4,Not Found,393.483,3.768364077,0,5,4,5,The secondary structure of OriRNA,"(+/-)-Tylophorine, an antofine analogue that selectively binds with bulged structure of tobacco mosaic virus (TMV) RNA rather than to TMV coat protein (CP) and hence affects the interaction between TMV RNA and CP, and therefore inhibit the assembly of TMV.",22753104,,,,,,"Gao S, Zhang R, Yu Z, Xi Z. Antofine analogues can inhibit tobacco mosaic virus assembly through small-molecule-RNA interactions. Chembiochem. 2012 Jul 23;13(11):1622-7. doi: 10.1002/cbic.201200313. Epub 2012 Jun 29. PMID: 22753104.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22753104/,,,,,,5090648,No,No,,,,
DBoRL1524,"2,3,6,7-Tetramethoxy-9-(1H-pyrrole-2-ylcarbonyl)phenanthrene","2-(2,3,6,7-tetramethoxyphenanthrene-9-carbonyl)-1H-pyrrole",COc1cc2cc(C(=O)c3ccc[nH]3)c3cc(OC)c(OC)cc3c2cc1OC,"InChI=1S/C23H21NO5/c1-26-19-9-13-8-17(23(25)18-6-5-7-24-18)16-12-22(29-4)21(28-3)11-15(16)14(13)10-20(19)27-2/h5-12,24H,1-4H3",JJANNNAPBVYZTE-UHFFFAOYSA-N,C23H21NO5,Not Found,391.423,3.78075254,1,5,6,4,The secondary structure of OriRNA,"2,3,6,7-Tetramethoxy-9-(1H-pyrrole-2-ylcarbonyl)phenanthrene, an antofine analogue that selectively binds with bulged structure of tobacco mosaic virus (TMV) RNA rather than to TMV coat protein (CP) and hence affects the interaction between TMV RNA and CP, and therefore inhibit the assembly of TMV.",22753104,,,,,,"Gao S, Zhang R, Yu Z, Xi Z. Antofine analogues can inhibit tobacco mosaic virus assembly through small-molecule-RNA interactions. Chembiochem. 2012 Jul 23;13(11):1622-7. doi: 10.1002/cbic.201200313. Epub 2012 Jun 29. PMID: 22753104.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22753104/,,,,,,25015873,No,No,,,,
DBoRL1525,"2,3,6,7-Tetramethoxy-9-(1H-pyrrole-2-ylmethyl)phenanthrene","2-[(2,3,6,7-tetramethoxyphenanthren-9-yl)methyl]-1H-pyrrole",COc1cc2cc(Cc3ccc[nH]3)c3cc(OC)c(OC)cc3c2cc1OC,"InChI=1S/C23H23NO4/c1-25-20-10-15-8-14(9-16-6-5-7-24-16)17-11-22(27-3)23(28-4)13-19(17)18(15)12-21(20)26-2/h5-8,10-13,24H,9H2,1-4H3",DTXRJWHYCPNBOR-UHFFFAOYSA-N,C23H23NO4,Not Found,377.44,4.25728607,1,4,6,4,The secondary structure of OriRNA,"2,3,6,7-Tetramethoxy-9-(1H-pyrrole-2-ylmethyl)phenanthrene, an antofine analogue that selectively binds with bulged structure of tobacco mosaic virus (TMV) RNA rather than to TMV coat protein (CP) and hence affects the interaction between TMV RNA and CP, and therefore inhibit the assembly of TMV.",22753104,,,,,,"Gao S, Zhang R, Yu Z, Xi Z. Antofine analogues can inhibit tobacco mosaic virus assembly through small-molecule-RNA interactions. Chembiochem. 2012 Jul 23;13(11):1622-7. doi: 10.1002/cbic.201200313. Epub 2012 Jun 29. PMID: 22753104.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22753104/,,,,,,25015874,No,No,,,,
DBoRL1526,"2,3,6,7-Tetramethoxyphenanthrene-9-carboxylic acid","2,3,6,7-tetramethoxyphenanthrene-9-carboxylic acid",COc1cc2cc(C(=O)O)c3cc(OC)c(OC)cc3c2cc1OC,"InChI=1S/C19H18O6/c1-22-15-6-10-5-14(19(20)21)13-9-18(25-4)17(24-3)8-12(13)11(10)7-16(15)23-2/h5-9H,1-4H3,(H,20,21)",ITKYSTASQAVAQK-UHFFFAOYSA-N,C19H18O6,Not Found,342.347,2.979097175,1,6,5,3,The secondary structure of OriRNA,"2,3,6,7-Tetramethoxyphenanthrene-9-carboxylic acid, an antofine analogue that selectively binds with bulged structure of tobacco mosaic virus (TMV) RNA rather than to TMV coat protein (CP) and hence affects the interaction between TMV RNA and CP, and therefore inhibit the assembly of TMV.",22753104,,,,,,"Gao S, Zhang R, Yu Z, Xi Z. Antofine analogues can inhibit tobacco mosaic virus assembly through small-molecule-RNA interactions. Chembiochem. 2012 Jul 23;13(11):1622-7. doi: 10.1002/cbic.201200313. Epub 2012 Jun 29. PMID: 22753104.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22753104/,,,,,,25015872,No,No,,,,
DBoRL1527,Antofine,"4,5,10-trimethoxy-16-azapentacyclo[12.7.0.0?,?.0?,??.0??,??]henicosa-1(14),2(7),3,5,8(13),9,11-heptaene",COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CC1CCCN1C3,"InChI=1/C23H25NO3/c1-25-15-6-7-16-18(10-15)20-12-23(27-3)22(26-2)11-19(20)17-9-14-5-4-8-24(14)13-21(16)17/h6-7,10-12,14H,4-5,8-9,13H2,1-3H3",NCVWJDISIZHFQS-UHFFFAOYNA-N,C23H25NO3,Not Found,363.457,3.926035342,0,4,3,5,The secondary structure of OriRNA,"Antofine selectively binds with bulged structure of tobacco mosaic virus (TMV) RNA rather than to TMV coat protein (CP) and hence affects the interaction between TMV RNA and CP, and therefore inhibit the assembly of TMV.",22753104,,,,,,"Gao S, Zhang R, Yu Z, Xi Z. Antofine analogues can inhibit tobacco mosaic virus assembly through small-molecule-RNA interactions. Chembiochem. 2012 Jul 23;13(11):1622-7. doi: 10.1002/cbic.201200313. Epub 2012 Jun 29. PMID: 22753104.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22753104/,,,,,,5316514,No,No,,,,
DBoRL1528,Antofine,"(20R)-4,5,10-trimethoxy-16-azapentacyclo[12.7.0.0?,?.0?,??.0??,??]henicosa-1(14),2(7),3,5,8(13),9,11-heptaene",[H][C@]12CCCN1CC1=C(C2)C2=C(C=C(OC)C(OC)=C2)C2=C1C=CC(OC)=C2,"InChI=1S/C23H25NO3/c1-25-15-6-7-16-18(10-15)20-12-23(27-3)22(26-2)11-19(20)17-9-14-5-4-8-24(14)13-21(16)17/h6-7,10-12,14H,4-5,8-9,13H2,1-3H3/t14-/m1/s1",NCVWJDISIZHFQS-CQSZACIVSA-N,C23H25NO3,32671-82-2,363.457,3.926035342,0,4,3,5,The secondary structure of OriRNA,"Antofine selectively binds with RNA bulged structure of TMV RNA rather than to TMV CP and hence the interaction between TMV RNA and coat protein, and therefore inhibit the assembly of TMV.",22753104,,,,,,"Gao S, Zhang R, Yu Z, Xi Z. Antofine analogues can inhibit tobacco mosaic virus assembly through small-molecule-RNA interactions. Chembiochem. 2012 Jul 23;13(11):1622-7. doi: 10.1002/cbic.201200313. Epub 2012 Jun 29. PMID: 22753104.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22753104/,,,,,,639288,No,No,,,,
DBoRL1529,Compound 4,"2,3,6,7-tetramethoxyphenanthrene-9-carboxylic acid",COC1=CC2=C(C=C1OC)C1=C(C=C(OC)C(OC)=C1)C(=C2)C(O)=O,"InChI=1S/C19H18O6/c1-22-15-6-10-5-14(19(20)21)13-9-18(25-4)17(24-3)8-12(13)11(10)7-16(15)23-2/h5-9H,1-4H3,(H,20,21)",ITKYSTASQAVAQK-UHFFFAOYSA-N,C19H18O6,Not Found,342.347,2.979097175,1,6,5,3,The secondary structure of OriRNA,"Chemical moieties of alkaloid?s skeleton of this compound interacts with TMV RNA with lower affinity. Hence, this antofine analogue takes more time in inhibition. This antofine analogue act as wedges embedded into TMV RNA or OriRNA to interfere with the transient interaction between RNA and CP at the initiation assembly, so as to prevent the RNA from being encapsulated by the CP.",22753104,,,,,,"Gao S, Zhang R, Yu Z, Xi Z. Antofine analogues can inhibit tobacco mosaic virus assembly through small-molecule-RNA interactions. Chembiochem. 2012 Jul 23;13(11):1622-7. doi: 10.1002/cbic.201200313. Epub 2012 Jun 29. PMID: 22753104.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22753104/,,,,,,25015872,No,No,,,,
DBoRL1530,Compound 5,"2-(2,3,6,7-tetramethoxyphenanthrene-9-carbonyl)-1H-pyrrole",COC1=CC2=C(C=C1OC)C1=C(C=C(OC)C(OC)=C1)C(=C2)C(=O)C1=CC=CN1,"InChI=1S/C23H21NO5/c1-26-19-9-13-8-17(23(25)18-6-5-7-24-18)16-12-22(29-4)21(28-3)11-15(16)14(13)10-20(19)27-2/h5-12,24H,1-4H3",JJANNNAPBVYZTE-UHFFFAOYSA-N,C23H21NO5,Not Found,391.423,3.78075254,1,5,6,4,The secondary structure of OriRNA,"Chemical moieties of alkaloid?s skeleton of this compound interacts with TMV RNA with lower affinity. Hence, this antofine analogue takes more time in inhibition. This antofine analogue act as wedges embedded into TMV RNA or OriRNA to interfere with the transient interaction between RNA and CP at the initiation assembly, so as to prevent the RNA from being encapsulated by the CP.",22753104,,,,,,"Gao S, Zhang R, Yu Z, Xi Z. Antofine analogues can inhibit tobacco mosaic virus assembly through small-molecule-RNA interactions. Chembiochem. 2012 Jul 23;13(11):1622-7. doi: 10.1002/cbic.201200313. Epub 2012 Jun 29. PMID: 22753104.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22753104/,,,,,,25015873,No,No,,,,
DBoRL1531,Compound 6,"2-[(2,3,6,7-tetramethoxyphenanthren-9-yl)methyl]-1H-pyrrole",COC1=CC2=C(C=C1OC)C1=C(C=C(OC)C(OC)=C1)C(CC1=CC=CN1)=C2,"InChI=1S/C23H23NO4/c1-25-20-10-15-8-14(9-16-6-5-7-24-16)17-11-22(27-3)23(28-4)13-19(17)18(15)12-21(20)26-2/h5-8,10-13,24H,9H2,1-4H3",DTXRJWHYCPNBOR-UHFFFAOYSA-N,C23H23NO4,Not Found,377.44,4.25728607,1,4,6,4,The secondary structure of OriRNA,"Chemical moieties of alkaloid?s skeleton of this compound interacts with TMV RNA with lower affinity. Hence, this antofine analogue takes more time in inhibition. This antofine analogue act as wedges embedded into TMV RNA or OriRNA to interfere with the transient interaction between RNA and CP at the initiation assembly, so as to prevent the RNA from being encapsulated by the CP.",22753104,,,,,,"Gao S, Zhang R, Yu Z, Xi Z. Antofine analogues can inhibit tobacco mosaic virus assembly through small-molecule-RNA interactions. Chembiochem. 2012 Jul 23;13(11):1622-7. doi: 10.1002/cbic.201200313. Epub 2012 Jun 29. PMID: 22753104.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22753104/,,,,,,25015874,No,No,,,,
DBoRL1532,Deoxytylophorinine,"5,10,11-trimethoxy-16-azapentacyclo[12.7.0.0?,?.0?,??.0??,??]henicosa-1(14),2(7),3,5,8(13),9,11-heptaene",COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CN1CCCC1C3,"InChI=1/C23H25NO3/c1-25-15-6-7-16-17-9-14-5-4-8-24(14)13-21(17)20-12-23(27-3)22(26-2)11-19(20)18(16)10-15/h6-7,10-12,14H,4-5,8-9,13H2,1-3H3",RFPUTOSCASFEEO-UHFFFAOYNA-N,C23H25NO3,Not Found,363.457,3.926035342,0,4,3,5,The secondary structure of OriRNA,"Deoxytylophorinine, an antofine analogue that selectively binds with bulged structure of tobacco mosaic virus (TMV) RNA rather than to TMV coat protein (CP) and hence affects the interaction between TMV RNA and CP, and therefore inhibit the assembly of TMV.",22753104,,,,,,"Gao S, Zhang R, Yu Z, Xi Z. Antofine analogues can inhibit tobacco mosaic virus assembly through small-molecule-RNA interactions. Chembiochem. 2012 Jul 23;13(11):1622-7. doi: 10.1002/cbic.201200313. Epub 2012 Jun 29. PMID: 22753104.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22753104/,,,,,,6426880,No,No,,,,
DBoRL1533,Compound 1,"4,5,10-trimethoxy-16-azapentacyclo[12.7.0.0?,?.0?,??.0??,??]henicosa-1(14),2(7),3,5,8(13),9,11-heptaene",COC1=CC2=C(C=C1)C1=C(CC3CCCN3C1)C1=C2C=C(OC)C(OC)=C1,"InChI=1/C23H25NO3/c1-25-15-6-7-16-18(10-15)20-12-23(27-3)22(26-2)11-19(20)17-9-14-5-4-8-24(14)13-21(16)17/h6-7,10-12,14H,4-5,8-9,13H2,1-3H3",NCVWJDISIZHFQS-UHFFFAOYNA-N,C23H25NO3,Not Found,363.457,3.926035342,0,4,3,5,The secondary structure of OriRNA,The alkaloid structure of methoxy groups on the phenanthrene ring have affinities towards TMV RNA comparable with that of antofine. This antofine analogue act as wedges embedded into TMV RNA or OriRNA to interferes with the transient interaction between RNA and CP at the initiation assembly of genome. This interference prevent the RNA from being encapsulated by the CP.,22753104,,,,,,"Gao S, Zhang R, Yu Z, Xi Z. Antofine analogues can inhibit tobacco mosaic virus assembly through small-molecule-RNA interactions. Chembiochem. 2012 Jul 23;13(11):1622-7. doi: 10.1002/cbic.201200313. Epub 2012 Jun 29. PMID: 22753104.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22753104/,,,,,,5316514,No,No,,,,
DBoRL1534,Compound 2,"5,10,11-trimethoxy-16-azapentacyclo[12.7.0.0?,?.0?,??.0??,??]henicosa-1(14),2(7),3,5,8(13),9,11-heptaene",COC1=CC2=C(C=C1)C1=C(CN3CCCC3C1)C1=C2C=C(OC)C(OC)=C1,"InChI=1/C23H25NO3/c1-25-15-6-7-16-17-9-14-5-4-8-24(14)13-21(17)20-12-23(27-3)22(26-2)11-19(20)18(16)10-15/h6-7,10-12,14H,4-5,8-9,13H2,1-3H3",RFPUTOSCASFEEO-UHFFFAOYNA-N,C23H25NO3,Not Found,363.457,3.926035342,0,4,3,5,The secondary structure of OriRNA,The alkaloid structure of methoxy groups on the phenanthrene ring have affinities towards TMV RNA comparable with that of antofine. This antofine analogue act as wedges embedded into TMV RNA or OriRNA to interferes with the transient interaction between RNA and CP at the initiation assembly of genome. This interference prevent the RNA from being encapsulated by the CP.,22753104,,,,,,"Gao S, Zhang R, Yu Z, Xi Z. Antofine analogues can inhibit tobacco mosaic virus assembly through small-molecule-RNA interactions. Chembiochem. 2012 Jul 23;13(11):1622-7. doi: 10.1002/cbic.201200313. Epub 2012 Jun 29. PMID: 22753104.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22753104/,,,,,,6426880,No,No,,,,
DBoRL1535,Compound 3,"4,5,10,11-tetramethoxy-16-azapentacyclo[12.7.0.0?,?.0?,??.0??,??]henicosa-1(14),2(7),3,5,8(13),9,11-heptaene",COC1=CC2=C(C=C1OC)C1=C(C=C(OC)C(OC)=C1)C1=C2CC2CCCN2C1,"InChI=1/C24H27NO4/c1-26-21-9-16-15-8-14-6-5-7-25(14)13-20(15)19-12-24(29-4)23(28-3)11-18(19)17(16)10-22(21)27-2/h9-12,14H,5-8,13H2,1-4H3",SSEUDFYBEOIWGF-UHFFFAOYNA-N,C24H27NO4,Not Found,393.483,3.768364077,0,5,4,5,The secondary structure of OriRNA,The alkaloid structure of methoxy groups on the phenanthrene ring have affinities towards TMV RNA comparable with that of antofine. This antofine analogue act as wedges embedded into TMV RNA or OriRNA to interferes with the transient interaction between RNA and CP at the initiation assembly of genome. This interference prevent the RNA from being encapsulated by the CP.,22753104,,,,,,"Gao S, Zhang R, Yu Z, Xi Z. Antofine analogues can inhibit tobacco mosaic virus assembly through small-molecule-RNA interactions. Chembiochem. 2012 Jul 23;13(11):1622-7. doi: 10.1002/cbic.201200313. Epub 2012 Jun 29. PMID: 22753104.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22753104/,,,,,,5090648,No,No,,,,
DBoRL1536,Tylophorine B,"4,5,10-trimethoxy-16-azapentacyclo[12.7.0.0?,?.0?,??.0??,??]henicosa-1(14),2(7),3,5,8(13),9,11-heptaene",COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CC1CCCN1C3,"InChI=1/C23H25NO3/c1-25-15-6-7-16-18(10-15)20-12-23(27-3)22(26-2)11-19(20)17-9-14-5-4-8-24(14)13-21(16)17/h6-7,10-12,14H,4-5,8-9,13H2,1-3H3",NCVWJDISIZHFQS-UHFFFAOYNA-N,C23H25NO3,Not Found,363.457,3.926035342,0,4,3,5,The secondary structure of OriRNA,"Tylophorine B, an antofine analogue that selectively binds with bulged structure of tobacco mosaic virus (TMV) RNA rather than to TMV coat protein (CP) and hence affects the interaction between TMV RNA and CP, and therefore inhibit the assembly of TMV.",22753104,,,,,,"Gao S, Zhang R, Yu Z, Xi Z. Antofine analogues can inhibit tobacco mosaic virus assembly through small-molecule-RNA interactions. Chembiochem. 2012 Jul 23;13(11):1622-7. doi: 10.1002/cbic.201200313. Epub 2012 Jun 29. PMID: 22753104.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22753104/,,,,,,5316514,No,No,,,,
DBoRL1537,Cepharanthine (P3),"(14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.2??,??.1?,??.1??,??.0?,?.0??,??.0??,??]nonatriaconta-1(33),3(39),4(8),9,16,18,21(36),22,24,31,34,37-dodecaene",COC1=CC=C2C[C@H]3N(C)CCC4=CC(OC)=C(OC5=C6[C@H](CC7=CC=C(OC1=C2)C=C7)N(C)CCC6=CC1=C5OCO1)C=C34,"InChI=1S/C37H38N2O6/c1-38-13-11-24-18-31(41-4)33-20-27(24)28(38)16-23-7-10-30(40-3)32(17-23)44-26-8-5-22(6-9-26)15-29-35-25(12-14-39(29)2)19-34-36(37(35)45-33)43-21-42-34/h5-10,17-20,28-29H,11-16,21H2,1-4H3/t28-,29+/m1/s1",YVPXVXANRNDGTA-WDYNHAJCSA-N,C37H38N2O6,481-49-2,606.719,6.416838634,0,6,2,8,5'-[r(UAGGGUUAGGGU]-3',"Cepharanthine (P3) binds to specific sequence of 12-mer RNA G-quadruplexes, Q3 and regulates telomeric RNA and telomerase activity.",22777782,,,,,,"Cui X, Lin S, Zhou J, Yuan G. Investigation of non-covalent interaction of natural flexible cyclic molecules with telomeric RNA G-quadruplexes by electrospray ionization mass spectrometry. Rapid Commun Mass Spectrom. 2012 Aug 30;26(16):1803-9. doi: 10.1002/rcm.6295. PMID: 22777782.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22777782/,,,,,,10206,No,No,,,,
DBoRL1538,Cepharanthine (P3),"(14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.2??,??.1?,??.1??,??.0?,?.0??,??.0??,??]nonatriaconta-1(33),3(39),4(8),9,16,18,21(36),22,24,31,34,37-dodecaene",COC1=CC=C2C[C@H]3N(C)CCC4=CC(OC)=C(OC5=C6[C@H](CC7=CC=C(OC1=C2)C=C7)N(C)CCC6=CC1=C5OCO1)C=C34,"InChI=1S/C37H38N2O6/c1-38-13-11-24-18-31(41-4)33-20-27(24)28(38)16-23-7-10-30(40-3)32(17-23)44-26-8-5-22(6-9-26)15-29-35-25(12-14-39(29)2)19-34-36(37(35)45-33)43-21-42-34/h5-10,17-20,28-29H,11-16,21H2,1-4H3/t28-,29+/m1/s1",YVPXVXANRNDGTA-WDYNHAJCSA-N,C37H38N2O6,481-49-2,606.719,6.416838634,0,6,2,8,5'-[r(UAGGGUUAGGGUUAGGGUUAGGGU]-3',"Cepharanthine (P3) binds to specific sequence of 24-mer RNA G-quadruplexes, Q4 and regulates telomeric RNA and telomerase activity.",22777782,,,,,,"Cui X, Lin S, Zhou J, Yuan G. Investigation of non-covalent interaction of natural flexible cyclic molecules with telomeric RNA G-quadruplexes by electrospray ionization mass spectrometry. Rapid Commun Mass Spectrom. 2012 Aug 30;26(16):1803-9. doi: 10.1002/rcm.6295. PMID: 22777782.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22777782/,,,,,,10206,No,No,,,,
DBoRL1539,Cepharanthine,"22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.2??,??.1?,??.1??,??.0?,?.0??,??.0??,??]nonatriaconta-1(34),3,8,10(39),16,18,21(36),22,24,31(35),32,37-dodecaene",COc1ccc2cc1Oc1ccc(cc1)CC1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)C5C2)OCO4)CCN1C,"InChI=1/C37H38N2O6/c1-38-13-11-24-18-31(41-4)33-20-27(24)28(38)16-23-7-10-30(40-3)32(17-23)44-26-8-5-22(6-9-26)15-29-35-25(12-14-39(29)2)19-34-36(37(35)45-33)43-21-42-34/h5-10,17-20,28-29H,11-16,21H2,1-4H3",YVPXVXANRNDGTA-UHFFFAOYNA-N,C37H38N2O6,Not Found,606.719,6.416838634,0,6,2,8,"12-mer RNA G-quadruplexes, Q1: 5'-[r(UAGGGUUAGGGU]-3'","Cepharanthine binds with 12-mer RNA G-quadruplexes, Q1: 5'-[r(UAGGGUUAGGGU]-3' and regulates telomeric RNA and telomerase activity.",22777782,,,,,,"Cui X, Lin S, Zhou J, Yuan G. Investigation of non-covalent interaction of natural flexible cyclic molecules with telomeric RNA G-quadruplexes by electrospray ionization mass spectrometry. Rapid Commun Mass Spectrom. 2012 Aug 30;26(16):1803-9. doi: 10.1002/rcm.6295. PMID: 22777782.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22777782/,,,,,,360849,No,No,,,,
DBoRL1540,Fangchinoline,"9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2?,?.1?,??.1??,??.0??,??.0??,??]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24,26,31,35-dodecaen-21-ol",COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(O)c(OC)cc3c1C(C2)N(C)CC3,"InChI=1/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)41-3)17-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3",IIQSJHUEZBTSAT-UHFFFAOYNA-N,C37H40N2O6,Not Found,608.735,6.085638164,1,6,3,7,"12-mer RNA G-quadruplexes, Q1: 5'-[r(UAGGGUUAGGGU]-3'","Fangchinoline binds with 12-mer RNA G-quadruplexes, Q1: 5'-[r(UAGGGUUAGGGU]-3' and regulates telomeric RNA and telomerase activity.",22777782,,,,,,"Cui X, Lin S, Zhou J, Yuan G. Investigation of non-covalent interaction of natural flexible cyclic molecules with telomeric RNA G-quadruplexes by electrospray ionization mass spectrometry. Rapid Commun Mass Spectrom. 2012 Aug 30;26(16):1803-9. doi: 10.1002/rcm.6295. PMID: 22777782.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22777782/,,,,,,321937,Yes,No,Experimental,DB14066,https://go.drugbank.com/drugs/DB14066,This is the isomeric form of the drug approved by USFDA.
DBoRL1541,Fangchinoline(P2),"(1S,14R)-9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2?,?.1?,??.1??,??.0??,??.0??,??]hexatriaconta-3,5,8,10,12(34),18,20,22(33),24,26,31,35-dodecaen-21-ol",COC1=C2OC3=CC=C(C[C@@H]4N(C)CCC5=CC(OC)=C(OC6=C7[C@@H](CC(C=C1)=C2)N(C)CCC7=CC(OC)=C6O)C=C45)C=C3,"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)41-3)17-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1",IIQSJHUEZBTSAT-URLMMPGGSA-N,C37H40N2O6,"33889-68-8,436-77-1",608.735,6.085638164,1,6,3,7,5'-[r(UAGGGUUAGGGU]-3',"Fangchinoline(P2) binds to specific sequence of 12-mer RNA G-quadruplexes, Q2 and regulates telomeric RNA and telomerase activity.",22777782,,,,,,"Cui X, Lin S, Zhou J, Yuan G. Investigation of non-covalent interaction of natural flexible cyclic molecules with telomeric RNA G-quadruplexes by electrospray ionization mass spectrometry. Rapid Commun Mass Spectrom. 2012 Aug 30;26(16):1803-9. doi: 10.1002/rcm.6295. PMID: 22777782.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22777782/,,,,,,100257,Yes,No,Experimental,DB14066,https://go.drugbank.com/drugs/DB14066,This is the isomeric form of the drug approved by USFDA.
DBoRL1542,Fangchinoline(P2),"(1S,14R)-9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2?,?.1?,??.1??,??.0??,??.0??,??]hexatriaconta-3,5,8,10,12(34),18,20,22(33),24,26,31,35-dodecaen-21-ol",COC1=C2OC3=CC=C(C[C@@H]4N(C)CCC5=CC(OC)=C(OC6=C7[C@@H](CC(C=C1)=C2)N(C)CCC7=CC(OC)=C6O)C=C45)C=C3,"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)41-3)17-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1",IIQSJHUEZBTSAT-URLMMPGGSA-N,C37H40N2O6,"33889-68-8,436-77-1",608.735,6.085638164,1,6,3,7,5'-[r(UAGGGUUAGGGUUAGGGUUAGGGU]-3',"Fangchinoline(P2) binds to specific sequence of 24-mer RNA G-quadruplexes, Q3 and regulates telomeric RNA and telomerase activity.",22777782,,,,,,"Cui X, Lin S, Zhou J, Yuan G. Investigation of non-covalent interaction of natural flexible cyclic molecules with telomeric RNA G-quadruplexes by electrospray ionization mass spectrometry. Rapid Commun Mass Spectrom. 2012 Aug 30;26(16):1803-9. doi: 10.1002/rcm.6295. PMID: 22777782.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22777782/,,,,,,100257,Yes,No,Experimental,DB14066,https://go.drugbank.com/drugs/DB14066,This is the isomeric form of the drug approved by USFDA.
DBoRL1543,Tetrandrine (P1),"(1S,14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2?,?.1?,??.1??,??.0??,??.0??,??]hexatriaconta-3,5,8,10,12(34),18,20,22(33),24,26,31,35-dodecaene",COC1=C2OC3=CC=C(C[C@@H]4N(C)CCC5=CC(OC)=C(OC6=C7[C@H](CC(C=C1)=C2)N(C)CCC7=CC(OC)=C6OC)C=C45)C=C3,"InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1",WVTKBKWTSCPRNU-KYJUHHDHSA-N,C38H42N2O6,"518-34-3,23495-89-8",622.762,6.478262635,0,6,4,7,5'-[r(UAGGGUUAGGGUUAGGGUUAGGGU]-3',"Tetrandrine (P1) binds to specific sequence of 24-mer RNA G-quadruplexes, Q2 and regulates telomeric RNA and telomerase activity.",22777782,,,,,,"Cui X, Lin S, Zhou J, Yuan G. Investigation of non-covalent interaction of natural flexible cyclic molecules with telomeric RNA G-quadruplexes by electrospray ionization mass spectrometry. Rapid Commun Mass Spectrom. 2012 Aug 30;26(16):1803-9. doi: 10.1002/rcm.6295. PMID: 22777782.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22777782/,,,,,,73078,Yes,No,Experimental,DB14066,https://go.drugbank.com/drugs/DB14066,
DBoRL1544,Tetrandrine (P1),"(1S,14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2?,?.1?,??.1??,??.0??,??.0??,??]hexatriaconta-3,5,8,10,12(34),18,20,22(33),24,26,31,35-dodecaene",COC1=C2OC3=CC=C(C[C@@H]4N(C)CCC5=CC(OC)=C(OC6=C7[C@H](CC(C=C1)=C2)N(C)CCC7=CC(OC)=C6OC)C=C45)C=C3,"InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1",WVTKBKWTSCPRNU-KYJUHHDHSA-N,C38H42N2O6,"518-34-3,23495-89-8",622.762,6.478262635,0,6,4,7,5'-[r(UAGGGUUAGGGU]-3',"Tetrandrine binds to specific sequence of 12-mer RNA G-quadruplexes, Q1 and regulates telomeric RNA and telomerase activity.",22777782,,,,,,"Cui X, Lin S, Zhou J, Yuan G. Investigation of non-covalent interaction of natural flexible cyclic molecules with telomeric RNA G-quadruplexes by electrospray ionization mass spectrometry. Rapid Commun Mass Spectrom. 2012 Aug 30;26(16):1803-9. doi: 10.1002/rcm.6295. PMID: 22777782.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22777782/,,,,,,73078,Yes,No,Experimental,DB14066,https://go.drugbank.com/drugs/DB14066,
DBoRL1545,Tetrandrine,"9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2?,?.1?,??.1??,??.0??,??.0??,??]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24,26,31,35-dodecaene",COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1C(C2)N(C)CC3,"InChI=1/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3",WVTKBKWTSCPRNU-UHFFFAOYNA-N,C38H42N2O6,Not Found,622.762,6.478262635,0,6,4,7,"12-mer RNA G-quadruplexes, Q1: 5'-[r(UAGGGUUAGGGU]-3'","Tetrandrine binds with 12-mer RNA G-quadruplexes, Q1: 5'-[r(UAGGGUUAGGGU]-3' and regulates telomeric RNA and telomerase activity.",22777782,,,,,,"Cui X, Lin S, Zhou J, Yuan G. Investigation of non-covalent interaction of natural flexible cyclic molecules with telomeric RNA G-quadruplexes by electrospray ionization mass spectrometry. Rapid Commun Mass Spectrom. 2012 Aug 30;26(16):1803-9. doi: 10.1002/rcm.6295. PMID: 22777782.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22777782/,,,,,,5422,Yes,No,Experimental,DB14066,https://go.drugbank.com/drugs/DB14066,
DBoRL1546,2-aminobenzimidazole derivative (AB I),"2-[N-(3-aminopropyl)-2-{N-[3-(1H-imidazol-1-yl)propyl]-1-[2-(phenylamino)-1H-1,3-benzodiazol-6-yl]formamido}acetamido]acetamide",NCCCN(CC(N)=O)C(=O)CN(CCCn1ccnc1)C(=O)c1ccc2nc(Nc3ccccc3)[nH]c2c1,"InChI=1S/C27H33N9O3/c28-10-4-13-35(17-24(29)37)25(38)18-36(14-5-12-34-15-11-30-19-34)26(39)20-8-9-22-23(16-20)33-27(32-22)31-21-6-2-1-3-7-21/h1-3,6-9,11,15-16,19H,4-5,10,12-14,17-18,28H2,(H2,29,37)(H2,31,32,33)",MRXJFLJTVVUJBR-UHFFFAOYSA-N,C27H33N9O3,Not Found,531.621,-0.596953613,4,7,14,4,RNA loops,"2-aminobenzimidazole derivative (AB I) binds with RNA internal loops and hairpins, which may disrupt the function. Please see the reference for more details.",22958065,,,,,,"Velagapudi SP, Pushechnikov A, Labuda LP, French JM, Disney MD. Probing a 2-aminobenzimidazole library for binding to RNA internal loops via two-dimensional combinatorial screening. ACS Chem Biol. 2012 Nov 16;7(11):1902-9. doi: 10.1021/cb300213g. Epub 2012 Sep 14. PMID: 22958065; PMCID: PMC3500435.
",,,,,,https://pubmed.ncbi.nlm.nih.gov/22958065/,,,,,,Not Found,No,No,,,,
DBoRL1547,2-aminobenzimidazole derivative (AB II),"2-[N-(3-aminopropyl)-2-{N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-[2-(phenylamino)-1H-1,3-benzodiazol-6-yl]formamido}acetamido]acetamide",CN1CCCC1CCN(CC(=O)N(CCCN)CC(N)=O)C(=O)c1ccc2nc(Nc3ccccc3)[nH]c2c1,"InChI=1/C28H38N8O3/c1-34-14-5-9-22(34)12-16-36(19-26(38)35(15-6-13-29)18-25(30)37)27(39)20-10-11-23-24(17-20)33-28(32-23)31-21-7-3-2-4-8-21/h2-4,7-8,10-11,17,22H,5-6,9,12-16,18-19,29H2,1H3,(H2,30,37)(H2,31,32,33)",KRTLRDOXPIQBHZ-UHFFFAOYNA-N,C28H38N8O3,Not Found,534.665,-0.085836421,4,7,13,4,RNA loops,"2-aminobenzimidazole derivative (AB II) binds with RNA internal loops and hairpins, which may disrupt the function. Please see the reference for more details.",22958065,,,,,,"Velagapudi SP, Pushechnikov A, Labuda LP, French JM, Disney MD. Probing a 2-aminobenzimidazole library for binding to RNA internal loops via two-dimensional combinatorial screening. ACS Chem Biol. 2012 Nov 16;7(11):1902-9. doi: 10.1021/cb300213g. Epub 2012 Sep 14. PMID: 22958065; PMCID: PMC3500435.
",,,,,,https://pubmed.ncbi.nlm.nih.gov/22958065/,,,,,,Not Found,No,No,,,,
DBoRL1548,2-aminobenzimidazole derivative (AB I),"2-[N-(3-aminopropyl)-2-{N-[3-(1H-imidazol-1-yl)propyl]-1-[2-(phenylamino)-1H-1,3-benzodiazol-6-yl]formamido}acetamido]acetamide",NCCCN(CC(N)=O)C(=O)CN(CCCN1C=CN=C1)C(=O)C1=CC=C2N=C(NC3=CC=CC=C3)NC2=C1,"InChI=1S/C27H33N9O3/c28-10-4-13-35(17-24(29)37)25(38)18-36(14-5-12-34-15-11-30-19-34)26(39)20-8-9-22-23(16-20)33-27(32-22)31-21-6-2-1-3-7-21/h1-3,6-9,11,15-16,19H,4-5,10,12-14,17-18,28H2,(H2,29,37)(H2,31,32,33)",MRXJFLJTVVUJBR-UHFFFAOYSA-N,C27H33N9O3,Not Found,531.621,-0.596953613,4,7,14,4,RNA loop ABI-IL 1,Mode of action is not known.,22958065,,,,,,"Velagapudi SP, Pushechnikov A, Labuda LP, French JM, Disney MD. Probing a 2-aminobenzimidazole library for binding to RNA internal loops via two-dimensional combinatorial screening. ACS Chem Biol. 2012 Nov 16;7(11):1902-9. doi: 10.1021/cb300213g. Epub 2012 Sep 14. PMID: 22958065; PMCID: PMC3500435.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22958065/,,,,,,Not Found,No,No,,,,
DBoRL1549,2-aminobenzimidazole derivative (AB I),"2-[N-(3-aminopropyl)-2-{N-[3-(1H-imidazol-1-yl)propyl]-1-[2-(phenylamino)-1H-1,3-benzodiazol-6-yl]formamido}acetamido]acetamide",NCCCN(CC(N)=O)C(=O)CN(CCCN1C=CN=C1)C(=O)C1=CC=C2N=C(NC3=CC=CC=C3)NC2=C1,"InChI=1S/C27H33N9O3/c28-10-4-13-35(17-24(29)37)25(38)18-36(14-5-12-34-15-11-30-19-34)26(39)20-8-9-22-23(16-20)33-27(32-22)31-21-6-2-1-3-7-21/h1-3,6-9,11,15-16,19H,4-5,10,12-14,17-18,28H2,(H2,29,37)(H2,31,32,33)",MRXJFLJTVVUJBR-UHFFFAOYSA-N,C27H33N9O3,Not Found,531.621,-0.596953613,4,7,14,4,RNA loop ABI-IL 2,Mode of action is not known.,22958065,,,,,,"Velagapudi SP, Pushechnikov A, Labuda LP, French JM, Disney MD. Probing a 2-aminobenzimidazole library for binding to RNA internal loops via two-dimensional combinatorial screening. ACS Chem Biol. 2012 Nov 16;7(11):1902-9. doi: 10.1021/cb300213g. Epub 2012 Sep 14. PMID: 22958065; PMCID: PMC3500435.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22958065/,,,,,,Not Found,No,No,,,,
DBoRL1550,2-aminobenzimidazole derivative (AB I),"2-[N-(3-aminopropyl)-2-{N-[3-(1H-imidazol-1-yl)propyl]-1-[2-(phenylamino)-1H-1,3-benzodiazol-6-yl]formamido}acetamido]acetamide",NCCCN(CC(N)=O)C(=O)CN(CCCN1C=CN=C1)C(=O)C1=CC=C2N=C(NC3=CC=CC=C3)NC2=C1,"InChI=1S/C27H33N9O3/c28-10-4-13-35(17-24(29)37)25(38)18-36(14-5-12-34-15-11-30-19-34)26(39)20-8-9-22-23(16-20)33-27(32-22)31-21-6-2-1-3-7-21/h1-3,6-9,11,15-16,19H,4-5,10,12-14,17-18,28H2,(H2,29,37)(H2,31,32,33)",MRXJFLJTVVUJBR-UHFFFAOYSA-N,C27H33N9O3,Not Found,531.621,-0.596953613,4,7,14,4,RNA loop ABI- IL 3,Mode of action is not known.,22958065,,,,,,"Velagapudi SP, Pushechnikov A, Labuda LP, French JM, Disney MD. Probing a 2-aminobenzimidazole library for binding to RNA internal loops via two-dimensional combinatorial screening. ACS Chem Biol. 2012 Nov 16;7(11):1902-9. doi: 10.1021/cb300213g. Epub 2012 Sep 14. PMID: 22958065; PMCID: PMC3500435.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22958065/,,,,,,Not Found,No,No,,,,
DBoRL1551,2-aminobenzimidazole derivative (AB I),"2-[N-(3-aminopropyl)-2-{N-[3-(1H-imidazol-1-yl)propyl]-1-[2-(phenylamino)-1H-1,3-benzodiazol-6-yl]formamido}acetamido]acetamide",NCCCN(CC(N)=O)C(=O)CN(CCCN1C=CN=C1)C(=O)C1=CC=C2N=C(NC3=CC=CC=C3)NC2=C1,"InChI=1S/C27H33N9O3/c28-10-4-13-35(17-24(29)37)25(38)18-36(14-5-12-34-15-11-30-19-34)26(39)20-8-9-22-23(16-20)33-27(32-22)31-21-6-2-1-3-7-21/h1-3,6-9,11,15-16,19H,4-5,10,12-14,17-18,28H2,(H2,29,37)(H2,31,32,33)",MRXJFLJTVVUJBR-UHFFFAOYSA-N,C27H33N9O3,Not Found,531.621,-0.596953613,4,7,14,4,RNA loop ABI- IL 4,Mode of action is not known.,22958065,,,,,,"Velagapudi SP, Pushechnikov A, Labuda LP, French JM, Disney MD. Probing a 2-aminobenzimidazole library for binding to RNA internal loops via two-dimensional combinatorial screening. ACS Chem Biol. 2012 Nov 16;7(11):1902-9. doi: 10.1021/cb300213g. Epub 2012 Sep 14. PMID: 22958065; PMCID: PMC3500435.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22958065/,,,,,,Not Found,No,No,,,,
DBoRL1552,2-aminobenzimidazole derivative (AB II),"2-[N-(3-aminopropyl)-2-{N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-[2-(phenylamino)-1H-1,3-benzodiazol-6-yl]formamido}acetamido]acetamide",CN1CCCC1CCN(CC(=O)N(CCCN)CC(N)=O)C(=O)C1=CC=C2N=C(NC3=CC=CC=C3)NC2=C1,"InChI=1/C28H38N8O3/c1-34-14-5-9-22(34)12-16-36(19-26(38)35(15-6-13-29)18-25(30)37)27(39)20-10-11-23-24(17-20)33-28(32-23)31-21-7-3-2-4-8-21/h2-4,7-8,10-11,17,22H,5-6,9,12-16,18-19,29H2,1H3,(H2,30,37)(H2,31,32,33)",KRTLRDOXPIQBHZ-UHFFFAOYNA-N,C28H38N8O3,Not Found,534.665,-0.085836421,4,7,13,4,RNA loop ABII- IL 1,Mode of action is not known.,22958065,,,,,,"Velagapudi SP, Pushechnikov A, Labuda LP, French JM, Disney MD. Probing a 2-aminobenzimidazole library for binding to RNA internal loops via two-dimensional combinatorial screening. ACS Chem Biol. 2012 Nov 16;7(11):1902-9. doi: 10.1021/cb300213g. Epub 2012 Sep 14. PMID: 22958065; PMCID: PMC3500435.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22958065/,,,,,,Not Found,No,No,,,,
DBoRL1553,2-aminobenzimidazole derivative (AB II),"2-[N-(3-aminopropyl)-2-{N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-[2-(phenylamino)-1H-1,3-benzodiazol-6-yl]formamido}acetamido]acetamide",CN1CCCC1CCN(CC(=O)N(CCCN)CC(N)=O)C(=O)C1=CC=C2N=C(NC3=CC=CC=C3)NC2=C1,"InChI=1/C28H38N8O3/c1-34-14-5-9-22(34)12-16-36(19-26(38)35(15-6-13-29)18-25(30)37)27(39)20-10-11-23-24(17-20)33-28(32-23)31-21-7-3-2-4-8-21/h2-4,7-8,10-11,17,22H,5-6,9,12-16,18-19,29H2,1H3,(H2,30,37)(H2,31,32,33)",KRTLRDOXPIQBHZ-UHFFFAOYNA-N,C28H38N8O3,Not Found,534.665,-0.085836421,4,7,13,4,RNA loop ABII- IL 2,Mode of action is not known.,22958065,,,,,,"Velagapudi SP, Pushechnikov A, Labuda LP, French JM, Disney MD. Probing a 2-aminobenzimidazole library for binding to RNA internal loops via two-dimensional combinatorial screening. ACS Chem Biol. 2012 Nov 16;7(11):1902-9. doi: 10.1021/cb300213g. Epub 2012 Sep 14. PMID: 22958065; PMCID: PMC3500435.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22958065/,,,,,,Not Found,No,No,,,,
DBoRL1554,2-aminobenzimidazole derivative (AB II),"2-[N-(3-aminopropyl)-2-{N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-[2-(phenylamino)-1H-1,3-benzodiazol-6-yl]formamido}acetamido]acetamide",CN1CCCC1CCN(CC(=O)N(CCCN)CC(N)=O)C(=O)C1=CC=C2N=C(NC3=CC=CC=C3)NC2=C1,"InChI=1/C28H38N8O3/c1-34-14-5-9-22(34)12-16-36(19-26(38)35(15-6-13-29)18-25(30)37)27(39)20-10-11-23-24(17-20)33-28(32-23)31-21-7-3-2-4-8-21/h2-4,7-8,10-11,17,22H,5-6,9,12-16,18-19,29H2,1H3,(H2,30,37)(H2,31,32,33)",KRTLRDOXPIQBHZ-UHFFFAOYNA-N,C28H38N8O3,Not Found,534.665,-0.085836421,4,7,13,4,RNA loop ABII- IL 3,Mode of action is not known.,22958065,,,,,,"Velagapudi SP, Pushechnikov A, Labuda LP, French JM, Disney MD. Probing a 2-aminobenzimidazole library for binding to RNA internal loops via two-dimensional combinatorial screening. ACS Chem Biol. 2012 Nov 16;7(11):1902-9. doi: 10.1021/cb300213g. Epub 2012 Sep 14. PMID: 22958065; PMCID: PMC3500435.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22958065/,,,,,,Not Found,No,No,,,,
DBoRL1555,2-aminobenzimidazole derivative (AB II),"2-[N-(3-aminopropyl)-2-{N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-[2-(phenylamino)-1H-1,3-benzodiazol-6-yl]formamido}acetamido]acetamide",CN1CCCC1CCN(CC(=O)N(CCCN)CC(N)=O)C(=O)C1=CC=C2N=C(NC3=CC=CC=C3)NC2=C1,"InChI=1/C28H38N8O3/c1-34-14-5-9-22(34)12-16-36(19-26(38)35(15-6-13-29)18-25(30)37)27(39)20-10-11-23-24(17-20)33-28(32-23)31-21-7-3-2-4-8-21/h2-4,7-8,10-11,17,22H,5-6,9,12-16,18-19,29H2,1H3,(H2,30,37)(H2,31,32,33)",KRTLRDOXPIQBHZ-UHFFFAOYNA-N,C28H38N8O3,Not Found,534.665,-0.085836421,4,7,13,4,RNA loop ABII- IL 4,Mode of action is not known.,22958065,,,,,,"Velagapudi SP, Pushechnikov A, Labuda LP, French JM, Disney MD. Probing a 2-aminobenzimidazole library for binding to RNA internal loops via two-dimensional combinatorial screening. ACS Chem Biol. 2012 Nov 16;7(11):1902-9. doi: 10.1021/cb300213g. Epub 2012 Sep 14. PMID: 22958065; PMCID: PMC3500435.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22958065/,,,,,,Not Found,No,No,,,,
DBoRL1556,2-aminobenzimidazole derivative (AB II),"2-[N-(3-aminopropyl)-2-{N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-[2-(phenylamino)-1H-1,3-benzodiazol-6-yl]formamido}acetamido]acetamide; methane",C.CN1CCCC1CCN(CC(=O)N(CCCN)CC(N)=O)C(=O)C1=CC=C2N=C(NC3=CC=CC=C3)NC2=C1,"InChI=1/C28H38N8O3.CH4/c1-34-14-5-9-22(34)12-16-36(19-26(38)35(15-6-13-29)18-25(30)37)27(39)20-10-11-23-24(17-20)33-28(32-23)31-21-7-3-2-4-8-21;/h2-4,7-8,10-11,17,22H,5-6,9,12-16,18-19,29H2,1H3,(H2,30,37)(H2,31,32,33);1H4",OPWZLMHOMZOGGI-UHFFFAOYNA-N,C29H42N8O3,Not Found,550.708,-0.085836421,4,7,13,4,RNA loop ABII- IL 5,Mode of action is not known.,22958065,,,,,,"Velagapudi SP, Pushechnikov A, Labuda LP, French JM, Disney MD. Probing a 2-aminobenzimidazole library for binding to RNA internal loops via two-dimensional combinatorial screening. ACS Chem Biol. 2012 Nov 16;7(11):1902-9. doi: 10.1021/cb300213g. Epub 2012 Sep 14. PMID: 22958065; PMCID: PMC3500435.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22958065/,,,,,,Not Found,No,No,,,,
DBoRL1557,Digoxin,"4-(7-{[5-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-3a,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-2,5-dihydrofuran-2-one",CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O,"InChI=1/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3",LTMHDMANZUZIPE-UHFFFAOYNA-N,C41H64O14,Not Found,780.949,2.366680672,6,13,7,8,RNA binding Aptamer,RNA binding aptamer binds with digoxin which results reduction of digoxin toxicity.,23021809,,,,,,"Kiani Z, Shafiei M, Rahimi-Moghaddam P, Karkhane AA, Ebrahimi SA. In vitro selection and characterization of deoxyribonucleic acid aptamers for digoxin. Anal Chim Acta. 2012 Oct 20;748:67-72. doi: 10.1016/j.aca.2012.08.025. Epub 2012 Sep 5. PMID: 23021809.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23021809/,,,,,,3062,Yes,Yes,,DB00390,https://go.drugbank.com/drugs/DB00390,
DBoRL1558,Codeine,"10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0?,??.0?,??.0?,??]octadeca-7,9,11(18),15-tetraen-14-ol",COc1ccc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341,"InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3",OROGSEYTTFOCAN-UHFFFAOYNA-N,C18H21NO3,Not Found,299.37,1.342951283,1,4,1,5,RNA binding Aptamer,RNA binding aptamer has the ability to binds with codeine. Please see the reference for more details.,23021809,,,,,,"Kiani Z, Shafiei M, Rahimi-Moghaddam P, Karkhane AA, Ebrahimi SA. In vitro selection and characterization of deoxyribonucleic acid aptamers for digoxin. Anal Chim Acta. 2012 Oct 20;748:67-72. doi: 10.1016/j.aca.2012.08.025. Epub 2012 Sep 5. PMID: 23021809.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23021809/,,,,,,2828,Yes,Yes,Illicit,DB00318,https://go.drugbank.com/drugs/DB00318,
DBoRL1559,Ouabain,"4-[3a,5a,9,10-tetrahydroxy-9a-(hydroxymethyl)-11a-methyl-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one",CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O,"InChI=1/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3",LPMXVESGRSUGHW-UHFFFAOYNA-N,C29H44O12,Not Found,584.659,-2.78180589,8,11,4,6,RNA binding Aptamer,RNA binding aptamer has the ability to binds with ouabain. Please see the reference for more details.,23021809,,,,,,"Kiani Z, Shafiei M, Rahimi-Moghaddam P, Karkhane AA, Ebrahimi SA. In vitro selection and characterization of deoxyribonucleic acid aptamers for digoxin. Anal Chim Acta. 2012 Oct 20;748:67-72. doi: 10.1016/j.aca.2012.08.025. Epub 2012 Sep 5. PMID: 23021809.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23021809/,,,,,,4605,Yes,Yes,,DB01092,https://go.drugbank.com/drugs/DB01092,
DBoRL1560,Jatrorrhizine,"10-hydroxy-3,4,11-trimethoxy-7,8-dihydro-6??-azatetraphen-6-ylium",COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2,"InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1",MXTLAHSTUOXGQF-UHFFFAOYSA-O,C20H20NO4,"3621-38-3,960383-96-4",338.382,-1.367782341,1,4,3,4,BCL2 mRNA G-quadruplex (BCL2Q): 5'-[GGGGGCCGUGGGGUGGGAGCUGGGG]-3',"Jatrorrhizine, an alkaloid, specifically binds with BCL2 mRNA G-quadruplex (BCL2Q): 5?-[GGGGGCCGUGGGGUGGGAGCUGGGG]-3? and regulate the expression of the BCL2 protein from the posttranscriptional pathway.",23322663,,,,,,"Tan W, Yuan G. Electrospray ionization mass spectrometric exploration of the high-affinity binding of three natural alkaloids with the mRNA G-quadruplex in the BCL2 5'-untranslated region. Rapid Commun Mass Spectrom. 2013 Feb 28;27(4):560-4. doi: 10.1002/rcm.6484. PMID: 23322663.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23322663/,,,,,,72323,No,No,,,,
DBoRL1561,Jatrorrizine,"10-hydroxy-3,4,11-trimethoxy-7,8-dihydro-6??-azatetraphen-6-ylium",[H]C1=C2C3=C(CC[N+]2=CC2=C(OC)C(OC)=CC=C12)C=C(O)C(OC)=C3,"InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1",MXTLAHSTUOXGQF-UHFFFAOYSA-O,C20H20NO4,"3621-38-3,960383-96-4",338.382,-1.367782341,1,4,3,4,5'-[GGGGGCCGUGGGGUGGGAGCUGGGG]-3',"Jatrorrizine, an alkaloid, specifically binds with BCL2 mRNA G-quadruplex (BCL2Q): 5?-[GGGGGCCGUGGGGUGGGAGCUGGGG]-3? and regulate the expression of the BCL2 protein from the posttranscriptional pathway.",23322663,,,,,,"Tan W, Yuan G. Electrospray ionization mass spectrometric exploration of the high-affinity binding of three natural alkaloids with the mRNA G-quadruplex in the BCL2 5'-untranslated region. Rapid Commun Mass Spectrom. 2013 Feb 28;27(4):560-4. doi: 10.1002/rcm.6484. PMID: 23322663.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23322663/,,,,,,72323,No,No,,,,
DBoRL1562,Nitidine,"16,17-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2(10),3,8,11,14(19),15,17,20-nonaen-21-ium",COC1=CC2=C(C=C1OC)C1=C(C3=C(C=C1)C=C1OCOC1=C3)[N+](C)=C2,"InChI=1S/C21H18NO4/c1-22-10-13-7-17(23-2)18(24-3)8-15(13)14-5-4-12-6-19-20(26-11-25-19)9-16(12)21(14)22/h4-10H,11H2,1-3H3/q+1",KKMPSGJPCCJYRV-UHFFFAOYSA-N,C21H18NO4,6872-57-7,348.377,-0.882072641,0,4,2,5,5'-[GGGGGCCGUGGGGUGGGAGCUGGGG]-3',"Nitidine, an alkaloid, specifically binds with BCL2 mRNA G-quadruplex (BCL2Q): 5?-[GGGGGCCGUGGGGUGGGAGCUGGGG]-3? and regulate the expression of the BCL2 protein from the posttranscriptional pathway.",23322663,,,,,,"Tan W, Yuan G. Electrospray ionization mass spectrometric exploration of the high-affinity binding of three natural alkaloids with the mRNA G-quadruplex in the BCL2 5'-untranslated region. Rapid Commun Mass Spectrom. 2013 Feb 28;27(4):560-4. doi: 10.1002/rcm.6484. PMID: 23322663.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23322663/,,,,,,4501,No,No,,,,
DBoRL1563,Nitidine,"16,17-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2(10),3,8,11,14(19),15,17,20-nonaen-21-ium",COc1cc2c[n+](C)c3c4cc5c(cc4ccc3c2cc1OC)OCO5,"InChI=1S/C21H18NO4/c1-22-10-13-7-17(23-2)18(24-3)8-15(13)14-5-4-12-6-19-20(26-11-25-19)9-16(12)21(14)22/h4-10H,11H2,1-3H3/q+1",KKMPSGJPCCJYRV-UHFFFAOYSA-N,C21H18NO4,6872-57-7,348.377,-0.882072641,0,4,2,5,BCL2 mRNA G-quadruplex (BCL2Q): 5'-[GGGGGCCGUGGGGUGGGAGCUGGGG]-3',"Nitidine, an alkaloid, specifically binds with BCL2 mRNA G-quadruplex (BCL2Q): 5?-[GGGGGCCGUGGGGUGGGAGCUGGGG]-3? and regulate the expression of the BCL2 protein from the posttranscriptional pathway.",23322663,,,,,,"Tan W, Yuan G. Electrospray ionization mass spectrometric exploration of the high-affinity binding of three natural alkaloids with the mRNA G-quadruplex in the BCL2 5'-untranslated region. Rapid Commun Mass Spectrom. 2013 Feb 28;27(4):560-4. doi: 10.1002/rcm.6484. PMID: 23322663.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23322663/,,,,,,4501,No,No,,,,
DBoRL1564,Palmatine,"3,4,10,11-tetramethoxy-7,8-dihydro-6??-azatetraphen-6-ylium",[H]C1=C2C3=CC(OC)=C(OC)C=C3CC[N+]2=CC2=C1C=CC(OC)=C2OC,"InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1",QUCQEUCGKKTEBI-UHFFFAOYSA-N,C21H22NO4,3486-67-7,352.409,-1.221888285,0,4,4,4,5'-[GGGGGCCGUGGGGUGGGAGCUGGGG]-3',"Palmatine, an alkaloid, specifically binds with BCL2 mRNA G-quadruplex (BCL2Q): 5?-[GGGGGCCGUGGGGUGGGAGCUGGGG]-3? and regulate the expression of the BCL2 protein from the posttranscriptional pathway.",23322663,,,,,,"Tan W, Yuan G. Electrospray ionization mass spectrometric exploration of the high-affinity binding of three natural alkaloids with the mRNA G-quadruplex in the BCL2 5'-untranslated region. Rapid Commun Mass Spectrom. 2013 Feb 28;27(4):560-4. doi: 10.1002/rcm.6484. PMID: 23322663.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23322663/,,,,,,19009,No,No,,,,
DBoRL1565,Palmatine,"3,4,10,11-tetramethoxy-7,8-dihydro-6??-azatetraphen-6-ylium",COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2,"InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1",QUCQEUCGKKTEBI-UHFFFAOYSA-N,C21H22NO4,3486-67-7,352.409,-1.221888285,0,4,4,4,BCL2 mRNA G-quadruplex (BCL2Q): 5'-[GGGGGCCGUGGGGUGGGAGCUGGGG]-3',"Palmatine, an alkaloid, specifically binds with BCL2 mRNA G-quadruplex (BCL2Q): 5?-[GGGGGCCGUGGGGUGGGAGCUGGGG]-3? and regulate the expression of the BCL2 protein from the posttranscriptional pathway.",23322663,,,,,,"Tan W, Yuan G. Electrospray ionization mass spectrometric exploration of the high-affinity binding of three natural alkaloids with the mRNA G-quadruplex in the BCL2 5'-untranslated region. Rapid Commun Mass Spectrom. 2013 Feb 28;27(4):560-4. doi: 10.1002/rcm.6484. PMID: 23322663.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23322663/,,,,,,19009,No,No,,,,
DBoRL1566,"(-) 5, 7, 3', 4', 5'-penta- O-methyl Epigallocatechin Nacetyl beta-D-glucosaminoside (18)","N-(2-{[(3R)-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)acetamide",COC1=CC(OC)=C2C[C@@H](OC3OC(CO)C(O)C(O)C3NC(C)=O)C(OC2=C1)C1=CC(OC)=C(OC)C(OC)=C1,"InChI=1S/C28H37NO12/c1-13(31)29-23-25(33)24(32)22(12-30)41-28(23)40-21-11-16-17(35-3)9-15(34-2)10-18(16)39-26(21)14-7-19(36-4)27(38-6)20(8-14)37-5/h7-10,21-26,28,30,32-33H,11-12H2,1-6H3,(H,29,31)/t21-,22?,23?,24?,25?,26?,28?/m1/s1",PNXWOQBNILXYCG-VSLNZFOJSA-N,C28H37NO12,Not Found,579.599,0.162141134,4,12,10,4,5'-[UUAGGGUUAGGGUUAGGGUUAGGGUUA]-3',"(-) 5, 7, 3?, 4?, 5?-penta- O-methyl Epigallocatechin Nacetyl beta-D-glucosaminoside (18) binds with 5'-[UUAGGGUUAGGGUUAGGGUUAGGGUUA]-3' of human telomeric RNA and may play role as modulator.",23335983,,,,,,"Bai LP, Ho HM, Ma DL, Yang H, Fu WC, Jiang ZH. Aminoglycosylation can enhance the G-quadruplex binding activity of epigallocatechin. PLoS One. 2013;8(1):e53962. doi: 10.1371/journal.pone.0053962. Epub 2013 Jan 15. PMID: 23335983; PMCID: PMC3545880.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23335983/,,,,,,Not Found,No,No,,,,
DBoRL1567,"(-) 5, 7, 3?, 4?, 5?-penta- O-methyl Epigallocatechin Nacetyl beta-D-glucosaminoside","N-(2-{[(3R)-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)acetamide",COC1=CC(OC)=C2C[C@@H](OC3OC(CO)C(O)C(O)C3NC(C)=O)C(OC2=C1)C1=CC(OC)=C(OC)C(OC)=C1,"InChI=1S/C28H37NO12/c1-13(31)29-23-25(33)24(32)22(12-30)41-28(23)40-21-11-16-17(35-3)9-15(34-2)10-18(16)39-26(21)14-7-19(36-4)27(38-6)20(8-14)37-5/h7-10,21-26,28,30,32-33H,11-12H2,1-6H3,(H,29,31)/t21-,22?,23?,24?,25?,26?,28?/m1/s1",PNXWOQBNILXYCG-VSLNZFOJSA-N,C28H37NO12,Not Found,579.599,0.162141134,4,12,10,4,Human telomeric RNA: 5'-[UUAGGGUUAGGGUUAGGGUUAGGGUUA]-3',"(-) 5, 7, 3?, 4?, 5?-penta- O-methyl Epigallocatechin Nacetyl beta-D-glucosaminoside binds with 5'-[UUAGGGUUAGGGUUAGGGUUAGGGUUA]-3' of human telomeric RNA and may play role as modulator.",23335983,,,,,,"Bai LP, Ho HM, Ma DL, Yang H, Fu WC, Jiang ZH. Aminoglycosylation can enhance the G-quadruplex binding activity of epigallocatechin. PLoS One. 2013;8(1):e53962. doi: 10.1371/journal.pone.0053962. Epub 2013 Jan 15. PMID: 23335983; PMCID: PMC3545880.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23335983/,,,,,,Not Found,No,No,,,,
DBoRL1568,"(-)-5, 7, 3?, 4?, 5?-penta- O-methyl Epigallocatechin beta-D-glucosaminoside","5-amino-6-{[(3R)-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-2-(hydroxymethyl)oxane-3,4-diol",COC1=CC(OC)=C2C[C@@H](OC3OC(CO)C(O)C(O)C3N)C(OC2=C1)C1=CC(OC)=C(OC)C(OC)=C1,"InChI=1S/C26H35NO11/c1-31-13-8-15(32-2)14-10-19(37-26-21(27)23(30)22(29)20(11-28)38-26)24(36-16(14)9-13)12-6-17(33-3)25(35-5)18(7-12)34-4/h6-9,19-24,26,28-30H,10-11,27H2,1-5H3/t19-,20?,21?,22?,23?,24?,26?/m1/s1",YTYLSVJZEBMYRL-XJHXIWHASA-N,C26H35NO11,Not Found,537.562,0.343294531,4,12,9,4,Human telomeric RNA: 5'-[UUAGGGUUAGGGUUAGGGUUAGGGUUA]-3',"(-)-5, 7, 3?, 4?, 5?-penta- O-methyl Epigallocatechin beta-D-glucosaminoside binds with 5'-[UUAGGGUUAGGGUUAGGGUUAGGGUUA]-3' of human telomeric RNA and may play role as modulator.",23335983,,,,,,"Bai LP, Ho HM, Ma DL, Yang H, Fu WC, Jiang ZH. Aminoglycosylation can enhance the G-quadruplex binding activity of epigallocatechin. PLoS One. 2013;8(1):e53962. doi: 10.1371/journal.pone.0053962. Epub 2013 Jan 15. PMID: 23335983; PMCID: PMC3545880.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23335983/,,,,,,Not Found,No,No,,,,
DBoRL1569,"(2R)-3,4-Dihydro-5,7-dimethoxy-2alpha-(3,4,5-trimethoxyphenyl)-2H-1-benzopyran-3alpha-ol","5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-ol",COc1cc(OC)c2c(c1)OC(c1cc(OC)c(OC)c(OC)c1)C(O)C2,"InChI=1/C20H24O7/c1-22-12-8-15(23-2)13-10-14(21)19(27-16(13)9-12)11-6-17(24-3)20(26-5)18(7-11)25-4/h6-9,14,19,21H,10H2,1-5H3",XTGUWFUENAJQSX-UHFFFAOYNA-N,C20H24O7,Not Found,376.405,2.221011974,1,7,6,3,Human telomeric RNA: 5'-[UUAGGGUUAGGGUUAGGGUUAGGGUUA]-3',"(2R)-3,4-Dihydro-5,7-dimethoxy-2alpha-(3,4,5-trimethoxyphenyl)-2H-1-benzopyran-3alpha-ol binds with 5'-[UUAGGGUUAGGGUUAGGGUUAGGGUUA]-3' of human telomeric RNA and may play role as modulator.",23335983,,,,,,"Bai LP, Ho HM, Ma DL, Yang H, Fu WC, Jiang ZH. Aminoglycosylation can enhance the G-quadruplex binding activity of epigallocatechin. PLoS One. 2013;8(1):e53962. doi: 10.1371/journal.pone.0053962. Epub 2013 Jan 15. PMID: 23335983; PMCID: PMC3545880.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23335983/,,,,,,597420,No,No,,,,
DBoRL1570,Epigallocatechin (EGC 6),"(3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol",O[C@@H]1CC2=C(O)C=C(O)C=C2OC1C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15?/m1/s1",XMOCLSLCDHWDHP-KEKZHRQWSA-N,C15H14O7,Not Found,306.27,1.491541694,6,7,1,3,5'-[UUAGGGUUAGGGUUAGGGUUAGGGUUA]-3',Epigallocatechin (EGC 6) binds with 5'-[UUAGGGUUAGGGUUAGGGUUAGGGUUA]-3' of human telomeric RNA and may play role as modulator.,23335983,,,,,,"Bai LP, Ho HM, Ma DL, Yang H, Fu WC, Jiang ZH. Aminoglycosylation can enhance the G-quadruplex binding activity of epigallocatechin. PLoS One. 2013;8(1):e53962. doi: 10.1371/journal.pone.0053962. Epub 2013 Jan 15. PMID: 23335983; PMCID: PMC3545880.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23335983/,,,,,,88899251,Yes,No,Experimental Investigational,DB03823,https://go.drugbank.com/drugs/DB03823,
DBoRL1571,Epigallocatechin,"2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2,"InChI=1/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2",XMOCLSLCDHWDHP-UHFFFAOYNA-N,C15H14O7,Not Found,306.27,1.491541694,6,7,1,3,Human telomeric RNA: 5'-[UUAGGGUUAGGGUUAGGGUUAGGGUUA]-3',Epigallocatechin binds with 5'-[UUAGGGUUAGGGUUAGGGUUAGGGUUA]-3' of human telomeric RNA and may play role as modulator.,23335983,,,,,,"Bai LP, Ho HM, Ma DL, Yang H, Fu WC, Jiang ZH. Aminoglycosylation can enhance the G-quadruplex binding activity of epigallocatechin. PLoS One. 2013;8(1):e53962. doi: 10.1371/journal.pone.0053962. Epub 2013 Jan 15. PMID: 23335983; PMCID: PMC3545880.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23335983/,,,,,,1249,Yes,No,Experimental Investigational,DB03823,https://go.drugbank.com/drugs/DB03823,
DBoRL1572,Methylated Epigallocatechin (14),"(2R,3R)-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-ol",COC1=CC(OC)=C2C[C@@H](O)[C@H](OC2=C1)C1=CC(OC)=C(OC)C(OC)=C1,"InChI=1S/C20H24O7/c1-22-12-8-15(23-2)13-10-14(21)19(27-16(13)9-12)11-6-17(24-3)20(26-5)18(7-11)25-4/h6-9,14,19,21H,10H2,1-5H3/t14-,19-/m1/s1",XTGUWFUENAJQSX-AUUYWEPGSA-N,C20H24O7,3143-37-1,376.405,2.221011974,1,7,6,3,5'-[UUAGGGUUAGGGUUAGGGUUAGGGUUA]-3',Methylated Epigallocatechin (14) binds with 5'-[UUAGGGUUAGGGUUAGGGUUAGGGUUA]-3' of human telomeric RNA and may play role as modulator.,23335983,,,,,,"Bai LP, Ho HM, Ma DL, Yang H, Fu WC, Jiang ZH. Aminoglycosylation can enhance the G-quadruplex binding activity of epigallocatechin. PLoS One. 2013;8(1):e53962. doi: 10.1371/journal.pone.0053962. Epub 2013 Jan 15. PMID: 23335983; PMCID: PMC3545880.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23335983/,,,,,,22217363,No,No,,,,
DBoRL1573,Apramycin,"(4R,5R,6R)-2-{[(2S,3R,6R,7S,8aR)-7-amino-6-{[(1S,4S,6R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-4-hydroxy-3-(methylamino)-octahydropyrano[3,2-b]pyran-2-yl]oxy}-5-amino-6-(hydroxymethyl)oxane-3,4-diol",CN[C@@H]1C(O)C2O[C@@H](O[C@H]3[C@H](N)C[C@H](N)C(O)C3O)[C@@H](N)C[C@H]2O[C@H]1OC1O[C@@H](CO)[C@H](N)[C@@H](O)C1O,"InChI=1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3/t5-,6+,7-,8+,9-,10-,11+,12?,13+,14?,15?,16?,17-,18?,19+,20-,21?/m0/s1",XZNUGFQTQHRASN-FVRVIUIESA-N,C21H41N5O11,Not Found,539.583,-6.508110424,11,16,6,4,2M4Q RNA (27-MER),This molecule disrupts the fidelity of tRNA selection and block translocation.,23416053,,,,,,"Tsai A, Uemura S, Johansson M, Puglisi EV, Marshall RA, Aitken CE, Korlach J, Ehrenberg M, Puglisi JD. The impact of aminoglycosides on the dynamics of translation elongation. Cell Rep. 2013 Feb 21;3(2):497-508. doi: 10.1016/j.celrep.2013.01.027. Epub 2013 Feb 14. PMID: 23416053; PMCID: PMC3766726.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23416053/,,,,,,Not Found,Yes,No,Experimental Vet_approved,DB04626,https://go.drugbank.com/drugs/DB04626,This is the isomeric form of the drug approved by USFDA.
DBoRL1574,2'-OMe-c-di-GMP,"8,17-bis(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,12-dihydroxy-9,18-dimethoxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",COC1C2OP(=O)(O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)C(OC)C3OP(=O)(O)OCC2OC1n1cnc2c(=O)[nH]c(N)nc21,"InChI=1/C22H28N10O14P2/c1-39-13-11-7(43-19(13)31-5-25-9-15(31)27-21(23)29-17(9)33)3-41-48(37,38)46-12-8(4-42-47(35,36)45-11)44-20(14(12)40-2)32-6-26-10-16(32)28-22(24)30-18(10)34/h5-8,11-14,19-20H,3-4H2,1-2H3,(H,35,36)(H,37,38)(H3,23,27,29,33)(H3,24,28,30,34)",OPQRAMFGJCBMJP-UHFFFAOYNA-N,C22H28N10O14P2,Not Found,718.47,-2.892890419,6,16,4,7,class I c-di-GMP riboswitch RNA aptamer Vc2,Class I c-di-GMP riboswitch RNA aptamer Vc2 binds with Schembl20656193 and partly regulates bacterial physiology.,23559271,,,,,,"Luo Y, Zhou J, Wang J, Dayie TK, Sintim HO. Selective binding of 2'-F-c-di-GMP to Ct-E88 and Cb-E43, new class I riboswitches from Clostridium tetani and Clostridium botulinum respectively. Mol Biosyst. 2013 Jun;9(6):1535-9. doi: 10.1039/c3mb25560c. Epub 2013 Apr 5. PMID: 23559271.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23559271/,,,,,,Not Found,No,No,,,,
DBoRL1575,Schembl20656193,"8,17-bis(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-9,18-difluoro-3,12-dihydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",Nc1nc2c(ncn2C2OC3COP(=O)(O)OC4C(COP(=O)(O)OC3C2F)OC(n2cnc3c(=O)[nH]c(N)nc32)C4F)c(=O)[nH]1,"InChI=1/C20H22F2N10O12P2/c21-7-11-5(41-17(7)31-3-25-9-13(31)27-19(23)29-15(9)33)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(8(12)22)32-4-26-10-14(32)28-20(24)30-16(10)34/h3-8,11-12,17-18H,1-2H2,(H,35,36)(H,37,38)(H3,23,27,29,33)(H3,24,28,30,34)",RKBIDRCIXOIYKC-UHFFFAOYNA-N,C20H22F2N10O12P2,Not Found,694.398,-2.396516972,6,14,2,7,class I c-di-GMP riboswitch RNA aptamer Vc3,Class I c-di-GMP riboswitch RNA aptamer Vc3 binds with Schembl20656193 and partly regulates bacterial physiology.,23559271,,,,,,"Luo Y, Zhou J, Wang J, Dayie TK, Sintim HO. Selective binding of 2'-F-c-di-GMP to Ct-E88 and Cb-E43, new class I riboswitches from Clostridium tetani and Clostridium botulinum respectively. Mol Biosyst. 2013 Jun;9(6):1535-9. doi: 10.1039/c3mb25560c. Epub 2013 Apr 5. PMID: 23559271.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23559271/,,,,,,137140003,No,No,,,,
DBoRL1576,2 '-H-c-di-GMP,"8,17-bis(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,12-dihydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",[H]C1C(OC2COP(O)(=O)OC3C([H])C(OC3COP(O)(=O)OC12)N1C=NC2=C1N=C(N)NC2=O)N1C=NC2=C1N=C(N)NC2=O,"InChI=1/C20H24N10O12P2/c21-19-25-15-13(17(31)27-19)23-5-29(15)11-1-7-9(39-11)3-37-44(35,36)42-8-2-12(40-10(8)4-38-43(33,34)41-7)30-6-24-14-16(30)26-20(22)28-18(14)32/h5-12H,1-4H2,(H,33,34)(H,35,36)(H3,21,25,27,31)(H3,22,26,28,32)",AUNAGJOXGMZWKZ-UHFFFAOYNA-N,C20H24N10O12P2,Not Found,658.418,-2.379787431,6,14,2,7,class I c-di-GMP riboswitch RNA aptamer Vc4,Class I c-di-GMP riboswitch RNA aptamer Vc4 binds with Schembl20656193 and partly regulates bacterial physiology.,23559271,,,,,,"Luo Y, Zhou J, Wang J, Dayie TK, Sintim HO. Selective binding of 2'-F-c-di-GMP to Ct-E88 and Cb-E43, new class I riboswitches from Clostridium tetani and Clostridium botulinum respectively. Mol Biosyst. 2013 Jun;9(6):1535-9. doi: 10.1039/c3mb25560c. Epub 2013 Apr 5. PMID: 23559271.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23559271/,,,,,,Not Found,No,No,,,,
DBoRL1577,Compound 1,,[H]N(CC[Pt]1(Cl)[N](C)(C)CCN(C)CCN(C)CC[N]1(C)C)C1=CC2=[N+]([H])C3=CC(=CC=C3C=C2C=C1)N([H])CC[Pt]1(Cl)NCCN(C)CCN(C)CCN1,"InChI=1S/C17H17N3.C12H30N4.C8H20N4.2ClH.2Pt/c1-3-18-14-7-5-12-9-13-6-8-15(19-4-2)11-17(13)20-16(12)10-14;1-13(2)7-9-15(5)11-12-16(6)10-8-14(3)4;1-11(5-3-9)7-8-12(2)6-4-10;;;;/h5-11,18-19H,1-4H2;7-12H2,1-6H3;9-10H,3-8H2,1-2H3;2*1H;;/q;;-2;;;+1;+3/p-1",ONNCKQHVDVHDCA-UHFFFAOYSA-M,C37H68Cl2N11Pt2,Not Found,1128.1,,0,0,8,5,poly A - poly U,Compound 1 binds with Poly(A)poly(U) region of RNA. The binding increases the melting temperature and stabilize the RNA structure.,23681361,,,,,,"Grabar Branilovi? M, Tomi? S, Tumir LM, Piantanida I. The bis-phenanthridinium system flexibility and position of covalently bound uracil finely tunes the interaction with polynucleotides. Mol Biosyst. 2013 Aug;9(8):2051-62. doi: 10.1039/c3mb25578f. Epub 2013 May 17. PMID: 23681361.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23681361/,,,,,,Not Found,No,No,,,,
DBoRL1578,Compound 10,N-propyl-6-{6-[8-(propylamino)phenanthridin-6-yl]hexyl}phenanthridin-8-amine,CCCNC1=CC2=C(C=C1)C1=C(C=CC=C1)N=C2CCCCCCC1=NC2=C(C=CC=C2)C2=C1C=C(NCCC)C=C2,"InChI=1S/C38H42N4/c1-3-23-39-27-19-21-29-31-13-9-11-17-35(31)41-37(33(29)25-27)15-7-5-6-8-16-38-34-26-28(40-24-4-2)20-22-30(34)32-14-10-12-18-36(32)42-38/h9-14,17-22,25-26,39-40H,3-8,15-16,23-24H2,1-2H3",XSVXNVAVFSJZJW-UHFFFAOYSA-N,C38H42N4,Not Found,554.782,9.034194869,2,4,13,6,poly A - poly U,Compound 10 binds with poly A - poly U region of RNA. The binding increases the melting temperature and stabilize the RNA structure.,23681361,,,,,,"Grabar Branilovi? M, Tomi? S, Tumir LM, Piantanida I. The bis-phenanthridinium system flexibility and position of covalently bound uracil finely tunes the interaction with polynucleotides. Mol Biosyst. 2013 Aug;9(8):2051-62. doi: 10.1039/c3mb25578f. Epub 2013 May 17. PMID: 23681361.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23681361/,,,,,,Not Found,No,No,,,,
DBoRL1579,Compound 10,N-propyl-6-{6-[8-(propylamino)phenanthridin-6-yl]hexyl}phenanthridin-8-amine,CCCNC1=CC2=C(C=C1)C1=C(C=CC=C1)N=C2CCCCCCC1=NC2=C(C=CC=C2)C2=C1C=C(NCCC)C=C2,"InChI=1S/C38H42N4/c1-3-23-39-27-19-21-29-31-13-9-11-17-35(31)41-37(33(29)25-27)15-7-5-6-8-16-38-34-26-28(40-24-4-2)20-22-30(34)32-14-10-12-18-36(32)42-38/h9-14,17-22,25-26,39-40H,3-8,15-16,23-24H2,1-2H3",XSVXNVAVFSJZJW-UHFFFAOYSA-N,C38H42N4,Not Found,554.782,9.034194869,2,4,13,6,poly rAH+ - poly rAH+,Compound 10 binds with poly rAH+ - poly rAH+ region of RNA. The binding increases the melting temperature and stabilize the RNA structure.,23681361,,,,,,"Grabar Branilovi? M, Tomi? S, Tumir LM, Piantanida I. The bis-phenanthridinium system flexibility and position of covalently bound uracil finely tunes the interaction with polynucleotides. Mol Biosyst. 2013 Aug;9(8):2051-62. doi: 10.1039/c3mb25578f. Epub 2013 May 17. PMID: 23681361.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23681361/,,,,,,Not Found,No,No,,,,
DBoRL1580,Compound 11,"1-{3-[(6-{6-[8-(propylamino)phenanthridin-6-yl]hexyl}phenanthridin-8-yl)amino]propyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione",CCCNC1=CC2=C(C=C1)C1=C(C=CC=C1)N=C2CCCCCCC1=NC2=C(C=CC=C2)C2=C1C=C(NCCCN1C=CC(=O)NC1=O)C=C2,"InChI=1S/C42H44N6O2/c1-2-23-43-29-18-20-31-33-12-7-9-16-37(33)45-39(35(31)27-29)14-5-3-4-6-15-40-36-28-30(19-21-32(36)34-13-8-10-17-38(34)46-40)44-24-11-25-48-26-22-41(49)47-42(48)50/h7-10,12-13,16-22,26-28,43-44H,2-6,11,14-15,23-25H2,1H3,(H,47,49,50)",ANWIEGSCSHVOSI-UHFFFAOYSA-N,C42H44N6O2,Not Found,664.854,7.411684381,3,6,15,7,poly A - poly U,Compound 11 binds with poly A - poly U region of RNA. The binding increases the melting temperature and stabilize the RNA structure.,23681361,,,,,,"Grabar Branilovi? M, Tomi? S, Tumir LM, Piantanida I. The bis-phenanthridinium system flexibility and position of covalently bound uracil finely tunes the interaction with polynucleotides. Mol Biosyst. 2013 Aug;9(8):2051-62. doi: 10.1039/c3mb25578f. Epub 2013 May 17. PMID: 23681361.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23681361/,,,,,,Not Found,No,No,,,,
DBoRL1581,Compound 11,"1-{3-[(6-{6-[8-(propylamino)phenanthridin-6-yl]hexyl}phenanthridin-8-yl)amino]propyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione",CCCNC1=CC2=C(C=C1)C1=C(C=CC=C1)N=C2CCCCCCC1=NC2=C(C=CC=C2)C2=C1C=C(NCCCN1C=CC(=O)NC1=O)C=C2,"InChI=1S/C42H44N6O2/c1-2-23-43-29-18-20-31-33-12-7-9-16-37(33)45-39(35(31)27-29)14-5-3-4-6-15-40-36-28-30(19-21-32(36)34-13-8-10-17-38(34)46-40)44-24-11-25-48-26-22-41(49)47-42(48)50/h7-10,12-13,16-22,26-28,43-44H,2-6,11,14-15,23-25H2,1H3,(H,47,49,50)",ANWIEGSCSHVOSI-UHFFFAOYSA-N,C42H44N6O2,Not Found,664.854,7.411684381,3,6,15,7,poly rAH+ - poly rAH+,Compound 11 binds with poly rAH+ - poly rAH+ region of RNA. The binding increases the melting temperature and stabilize the RNA structure.,23681361,,,,,,"Grabar Branilovi? M, Tomi? S, Tumir LM, Piantanida I. The bis-phenanthridinium system flexibility and position of covalently bound uracil finely tunes the interaction with polynucleotides. Mol Biosyst. 2013 Aug;9(8):2051-62. doi: 10.1039/c3mb25578f. Epub 2013 May 17. PMID: 23681361.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23681361/,,,,,,Not Found,No,No,,,,
DBoRL1582,Compound 2,"2,6,17,26-tetraazaheptacyclo[23.10.2.2?,??.0?,??.0??,??.0??,??.0??,??]nonatriaconta-1(36),7,9,11(16),12,14,17,25,27(32),28,30,33(37),34,38-tetradecaene",C1CCCC2=NC3=C(C=CC=C3)C3=C2C=C(NCCCNC2=CC4=C(C=C2)C2=C(C=CC=C2)N=C4CC1)C=C3,"InChI=1S/C35H34N4/c1-2-4-13-35-31-23-25(17-19-27(31)29-11-6-8-15-33(29)39-35)37-21-9-20-36-24-16-18-26-28-10-5-7-14-32(28)38-34(12-3-1)30(26)22-24/h5-8,10-11,14-19,22-23,36-37H,1-4,9,12-13,20-21H2",MQESTQMTMLQXBC-UHFFFAOYSA-N,C35H34N4,Not Found,510.685,7.163968966,2,4,0,7,poly A - poly U,Compound 2 binds with Poly(A)poly(U) region of RNA. The binding increases the melting temperature and stabilize the RNA structure.,23681361,,,,,,"Grabar Branilovi? M, Tomi? S, Tumir LM, Piantanida I. The bis-phenanthridinium system flexibility and position of covalently bound uracil finely tunes the interaction with polynucleotides. Mol Biosyst. 2013 Aug;9(8):2051-62. doi: 10.1039/c3mb25578f. Epub 2013 May 17. PMID: 23681361.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23681361/,,,,,,Not Found,No,No,,,,
DBoRL1583,Compound 21,"2,6,10,14,25,34-hexaazaoctacyclo[31.10.2.2??,??.1?,??.0??,??.0??,??.0??,??.0??,??]octatetraconta-1(44),8,15,17,19(24),20,22,25,33,35(40),36,38,41(45),42,46-pentadecaene-7,48-dione",O=c1ccn2c(=O)n1CCCNc1ccc3c(c1)c(nc1ccccc13)CCCCCCc1nc3ccccc3c3ccc(cc13)NCCC2,"InChI=1S/C42H42N6O2/c49-41-21-26-47-24-9-22-43-29-17-19-31-33-11-5-7-15-37(33)45-39(35(31)27-29)13-3-1-2-4-14-40-36-28-30(44-23-10-25-48(41)42(47)50)18-20-32(36)34-12-6-8-16-38(34)46-40/h5-8,11-12,15-21,26-28,43-44H,1-4,9-10,13-14,22-25H2",JMFDWWNXECYZJZ-UHFFFAOYSA-N,C42H42N6O2,Not Found,662.838,6.644464893,2,6,0,8,poly U,Compound 21 covalently interacts with poly uracil of mRNA.,23681361,,,,,,"Grabar Branilovi? M, Tomi? S, Tumir LM, Piantanida I. The bis-phenanthridinium system flexibility and position of covalently bound uracil finely tunes the interaction with polynucleotides. Mol Biosyst. 2013 Aug;9(8):2051-62. doi: 10.1039/c3mb25578f. Epub 2013 May 17. PMID: 23681361.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23681361/,,,,,,Not Found,No,No,,,,
DBoRL1584,Compound 23,"1-{3-[(6-{6-[8-(propylamino)phenanthridin-6-yl]hexyl}phenanthridin-8-yl)amino]propyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione",CCCNc1ccc2c(c1)c(CCCCCCc1nc3ccccc3c3ccc(NCCCn4ccc(=O)[nH]c4=O)cc13)nc1ccccc12,"InChI=1S/C42H44N6O2/c1-2-23-43-29-18-20-31-33-12-7-9-16-37(33)45-39(35(31)27-29)14-5-3-4-6-15-40-36-28-30(19-21-32(36)34-13-8-10-17-38(34)46-40)44-24-11-25-48-26-22-41(49)47-42(48)50/h7-10,12-13,16-22,26-28,43-44H,2-6,11,14-15,23-25H2,1H3,(H,47,49,50)",ANWIEGSCSHVOSI-UHFFFAOYSA-N,C42H44N6O2,Not Found,664.854,7.411684381,3,6,15,7,poly U,Compound 23 covalently interacts with poly uracil of mRNA.,23681361,,,,,,"Grabar Branilovi? M, Tomi? S, Tumir LM, Piantanida I. The bis-phenanthridinium system flexibility and position of covalently bound uracil finely tunes the interaction with polynucleotides. Mol Biosyst. 2013 Aug;9(8):2051-62. doi: 10.1039/c3mb25578f. Epub 2013 May 17. PMID: 23681361.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23681361/,,,,,,Not Found,No,No,,,,
DBoRL1585,Compound 7,"1-[3-({6-[(4-{[8-(propylamino)phenanthridin-6-yl]methyl}phenyl)methyl]phenanthridin-8-yl}amino)propyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione",CCCNC1=CC2=C(C=C1)C1=C(C=CC=C1)N=C2CC1=CC=C(CC2=NC3=C(C=CC=C3)C3=C2C=C(NCCCN2C=CC(=O)NC2=O)C=C3)C=C1,"InChI=1S/C44H40N6O2/c1-2-21-45-31-16-18-33-35-8-3-5-10-39(35)47-41(37(33)27-31)25-29-12-14-30(15-13-29)26-42-38-28-32(17-19-34(38)36-9-4-6-11-40(36)48-42)46-22-7-23-50-24-20-43(51)49-44(50)52/h3-6,8-20,24,27-28,45-46H,2,7,21-23,25-26H2,1H3,(H,49,51,52)",PGAYTIBRYBEUCM-UHFFFAOYSA-N,C44H40N6O2,Not Found,684.844,7.280635083,3,6,12,8,poly A - poly U,Compound 7 binds with poly A - poly U region of RNA. The binding increases the melting temperature and stabilize the RNA structure.,23681361,,,,,,"Grabar Branilovi? M, Tomi? S, Tumir LM, Piantanida I. The bis-phenanthridinium system flexibility and position of covalently bound uracil finely tunes the interaction with polynucleotides. Mol Biosyst. 2013 Aug;9(8):2051-62. doi: 10.1039/c3mb25578f. Epub 2013 May 17. PMID: 23681361.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23681361/,,,,,,Not Found,No,No,,,,
DBoRL1586,Compound 7,"1-[3-({6-[(4-{[8-(propylamino)phenanthridin-6-yl]methyl}phenyl)methyl]phenanthridin-8-yl}amino)propyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione",CCCNC1=CC2=C(C=C1)C1=C(C=CC=C1)N=C2CC1=CC=C(CC2=NC3=C(C=CC=C3)C3=C2C=C(NCCCN2C=CC(=O)NC2=O)C=C3)C=C1,"InChI=1S/C44H40N6O2/c1-2-21-45-31-16-18-33-35-8-3-5-10-39(35)47-41(37(33)27-31)25-29-12-14-30(15-13-29)26-42-38-28-32(17-19-34(38)36-9-4-6-11-40(36)48-42)46-22-7-23-50-24-20-43(51)49-44(50)52/h3-6,8-20,24,27-28,45-46H,2,7,21-23,25-26H2,1H3,(H,49,51,52)",PGAYTIBRYBEUCM-UHFFFAOYSA-N,C44H40N6O2,Not Found,684.844,7.280635083,3,6,12,8,poly rAH+ - poly rAH+,Compound 7 binds with poly rAH+ - poly rAH+ region of RNA. The binding increases the melting temperature and stabilize the RNA structure.,23681361,,,,,,"Grabar Branilovi? M, Tomi? S, Tumir LM, Piantanida I. The bis-phenanthridinium system flexibility and position of covalently bound uracil finely tunes the interaction with polynucleotides. Mol Biosyst. 2013 Aug;9(8):2051-62. doi: 10.1039/c3mb25578f. Epub 2013 May 17. PMID: 23681361.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23681361/,,,,,,Not Found,No,No,,,,
DBoRL1587,Compound 9,"2,6,10,14,25,34-hexaazaoctacyclo[31.10.2.2??,??.1?,??.0??,??.0??,??.0??,??.0??,??]octatetraconta-1(44),8,15,17,19(24),20,22,25,33,35(40),36,38,41(45),42,46-pentadecaene-7,48-dione",O=C1C=CN2CCCNC3=CC4=C(C=C3)C3=C(C=CC=C3)N=C4CCCCCCC3=NC4=C(C=CC=C4)C4=C3C=C(NCCCN1C2=O)C=C4,"InChI=1/C42H42N6O2/c49-41-21-26-47-24-9-22-43-29-17-19-31-33-11-5-7-15-37(33)45-39(35(31)27-29)13-3-1-2-4-14-40-36-28-30(44-23-10-25-48(41)42(47)50)18-20-32(36)34-12-6-8-16-38(34)46-40/h5-8,11-12,15-21,26-28,43-44H,1-4,9-10,13-14,22-25H2",JMFDWWNXECYZJZ-UHFFFAOYNA-N,C42H42N6O2,Not Found,662.838,6.644464893,2,6,0,8,poly A - poly U,Compound 9 binds with poly A - poly U region of RNA. The binding increases the melting temperature and stabilize the RNA structure.,23681361,,,,,,"Grabar Branilovi? M, Tomi? S, Tumir LM, Piantanida I. The bis-phenanthridinium system flexibility and position of covalently bound uracil finely tunes the interaction with polynucleotides. Mol Biosyst. 2013 Aug;9(8):2051-62. doi: 10.1039/c3mb25578f. Epub 2013 May 17. PMID: 23681361.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23681361/,,,,,,Not Found,No,No,,,,
DBoRL1588,Compound 9,"2,6,10,14,25,34-hexaazaoctacyclo[31.10.2.2??,??.1?,??.0??,??.0??,??.0??,??.0??,??]octatetraconta-1(44),8,15,17,19(24),20,22,25,33,35(40),36,38,41(45),42,46-pentadecaene-7,48-dione",O=C1C=CN2CCCNC3=CC4=C(C=C3)C3=C(C=CC=C3)N=C4CCCCCCC3=NC4=C(C=CC=C4)C4=C3C=C(NCCCN1C2=O)C=C4,"InChI=1/C42H42N6O2/c49-41-21-26-47-24-9-22-43-29-17-19-31-33-11-5-7-15-37(33)45-39(35(31)27-29)13-3-1-2-4-14-40-36-28-30(44-23-10-25-48(41)42(47)50)18-20-32(36)34-12-6-8-16-38(34)46-40/h5-8,11-12,15-21,26-28,43-44H,1-4,9-10,13-14,22-25H2",JMFDWWNXECYZJZ-UHFFFAOYNA-N,C42H42N6O2,Not Found,662.838,6.644464893,2,6,0,8,poly rAH+ - poly rAH+,Compound 9 binds with poly rAH+ - poly rAH+ region of RNA. The binding increases the melting temperature and stabilize the RNA structure.,23681361,,,,,,"Grabar Branilovi? M, Tomi? S, Tumir LM, Piantanida I. The bis-phenanthridinium system flexibility and position of covalently bound uracil finely tunes the interaction with polynucleotides. Mol Biosyst. 2013 Aug;9(8):2051-62. doi: 10.1039/c3mb25578f. Epub 2013 May 17. PMID: 23681361.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23681361/,,,,,,Not Found,No,No,,,,
DBoRL1589,Compound 7,"1-[3-({6-[(4-{[8-(propylamino)phenanthridin-6-yl]methyl}phenyl)methyl]phenanthridin-8-yl}amino)propyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione",CCCNC1=CC2=C(C=C1)C1=C(C=CC=C1)N=C2CC1=CC=C(CC2=NC3=C(C=CC=C3)C3=C2C=C(NCCCN2C=CC(=O)NC2=O)C=C3)C=C1,"InChI=1S/C44H40N6O2/c1-2-21-45-31-16-18-33-35-8-3-5-10-39(35)47-41(37(33)27-31)25-29-12-14-30(15-13-29)26-42-38-28-32(17-19-34(38)36-9-4-6-11-40(36)48-42)46-22-7-23-50-24-20-43(51)49-44(50)52/h3-6,8-20,24,27-28,45-46H,2,7,21-23,25-26H2,1H3,(H,49,51,52)",PGAYTIBRYBEUCM-UHFFFAOYSA-N,C44H40N6O2,Not Found,684.844,7.280635083,3,6,12,8,poly U,The compound binds with poly U of mRNA. Please see the reference for more details.,23681361,,,,,,"Grabar Branilovi? M, Tomi? S, Tumir LM, Piantanida I. The bis-phenanthridinium system flexibility and position of covalently bound uracil finely tunes the interaction with polynucleotides. Mol Biosyst. 2013 Aug;9(8):2051-62. doi: 10.1039/c3mb25578f. Epub 2013 May 17. PMID: 23681361.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23681361/,,,,,,Not Found,No,No,,,,
DBoRL1590,Compound 8,"2,6,17,26-tetraazaheptacyclo[23.10.2.2?,??.0?,??.0??,??.0??,??.0??,??]nonatriaconta-1(36),7,9,11(16),12,14,17,25,27(32),28,30,33(37),34,38-tetradecaene",C1CCCC2=NC3=C(C=CC=C3)C3=C2C=C(NCCCNC2=CC4=C(C=C2)C2=C(C=CC=C2)N=C4CC1)C=C3,"InChI=1S/C35H34N4/c1-2-4-13-35-31-23-25(17-19-27(31)29-11-6-8-15-33(29)39-35)37-21-9-20-36-24-16-18-26-28-10-5-7-14-32(28)38-34(12-3-1)30(26)22-24/h5-8,10-11,14-19,22-23,36-37H,1-4,9,12-13,20-21H2",MQESTQMTMLQXBC-UHFFFAOYSA-N,C35H34N4,Not Found,510.685,7.163968966,2,4,0,7,poly U,The compound binds with poly U of mRNA. Please see the reference for more details.,23681361,,,,,,"Grabar Branilovi? M, Tomi? S, Tumir LM, Piantanida I. The bis-phenanthridinium system flexibility and position of covalently bound uracil finely tunes the interaction with polynucleotides. Mol Biosyst. 2013 Aug;9(8):2051-62. doi: 10.1039/c3mb25578f. Epub 2013 May 17. PMID: 23681361.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23681361/,,,,,,Not Found,No,No,,,,
DBoRL1591,Compound 9,"2,6,10,14,25,34-hexaazaoctacyclo[31.10.2.2??,??.1?,??.0??,??.0??,??.0??,??.0??,??]octatetraconta-1(44),8,15,17,19(24),20,22,25,33,35(40),36,38,41(45),42,46-pentadecaene-7,48-dione",O=C1C=CN2CCCNC3=CC4=C(C=C3)C3=C(C=CC=C3)N=C4CCCCCCC3=NC4=C(C=CC=C4)C4=C3C=C(NCCCN1C2=O)C=C4,"InChI=1/C42H42N6O2/c49-41-21-26-47-24-9-22-43-29-17-19-31-33-11-5-7-15-37(33)45-39(35(31)27-29)13-3-1-2-4-14-40-36-28-30(44-23-10-25-48(41)42(47)50)18-20-32(36)34-12-6-8-16-38(34)46-40/h5-8,11-12,15-21,26-28,43-44H,1-4,9-10,13-14,22-25H2",JMFDWWNXECYZJZ-UHFFFAOYNA-N,C42H42N6O2,Not Found,662.838,6.644464893,2,6,0,8,poly U,The compound binds with poly U of mRNA. Please see the reference for more details.,23681361,,,,,,"Grabar Branilovi? M, Tomi? S, Tumir LM, Piantanida I. The bis-phenanthridinium system flexibility and position of covalently bound uracil finely tunes the interaction with polynucleotides. Mol Biosyst. 2013 Aug;9(8):2051-62. doi: 10.1039/c3mb25578f. Epub 2013 May 17. PMID: 23681361.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23681361/,,,,,,Not Found,No,No,,,,
DBoRL1592,Compound 10,N-propyl-6-{6-[8-(propylamino)phenanthridin-6-yl]hexyl}phenanthridin-8-amine,CCCNC1=CC2=C(C=C1)C1=C(C=CC=C1)N=C2CCCCCCC1=NC2=C(C=CC=C2)C2=C1C=C(NCCC)C=C2,"InChI=1S/C38H42N4/c1-3-23-39-27-19-21-29-31-13-9-11-17-35(31)41-37(33(29)25-27)15-7-5-6-8-16-38-34-26-28(40-24-4-2)20-22-30(34)32-14-10-12-18-36(32)42-38/h9-14,17-22,25-26,39-40H,3-8,15-16,23-24H2,1-2H3",XSVXNVAVFSJZJW-UHFFFAOYSA-N,C38H42N4,Not Found,554.782,9.034194869,2,4,13,6,poly U,The compound binds with poly U of mRNA. Please see the reference for more details.,23681361,,,,,,"Grabar Branilovi? M, Tomi? S, Tumir LM, Piantanida I. The bis-phenanthridinium system flexibility and position of covalently bound uracil finely tunes the interaction with polynucleotides. Mol Biosyst. 2013 Aug;9(8):2051-62. doi: 10.1039/c3mb25578f. Epub 2013 May 17. PMID: 23681361.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23681361/,,,,,,Not Found,No,No,,,,
DBoRL1593,Compound 11,"1-{3-[(6-{6-[8-(propylamino)phenanthridin-6-yl]hexyl}phenanthridin-8-yl)amino]propyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione",CCCNC1=CC2=C(C=C1)C1=C(C=CC=C1)N=C2CCCCCCC1=NC2=C(C=CC=C2)C2=C1C=C(NCCCN1C=CC(=O)NC1=O)C=C2,"InChI=1S/C42H44N6O2/c1-2-23-43-29-18-20-31-33-12-7-9-16-37(33)45-39(35(31)27-29)14-5-3-4-6-15-40-36-28-30(19-21-32(36)34-13-8-10-17-38(34)46-40)44-24-11-25-48-26-22-41(49)47-42(48)50/h7-10,12-13,16-22,26-28,43-44H,2-6,11,14-15,23-25H2,1H3,(H,47,49,50)",ANWIEGSCSHVOSI-UHFFFAOYSA-N,C42H44N6O2,Not Found,664.854,7.411684381,3,6,15,7,poly U,The compound binds with poly U of mRNA. Please see the reference for more details.,23681361,,,,,,"Grabar Branilovi? M, Tomi? S, Tumir LM, Piantanida I. The bis-phenanthridinium system flexibility and position of covalently bound uracil finely tunes the interaction with polynucleotides. Mol Biosyst. 2013 Aug;9(8):2051-62. doi: 10.1039/c3mb25578f. Epub 2013 May 17. PMID: 23681361.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23681361/,,,,,,Not Found,No,No,,,,
DBoRL1594,3-azido streptomycin,"1-{3-[({5-[(2,4-dicarbamimidamido-3,5,6-trihydroxycyclohexyl)oxy]-4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-3-hydroxy-2-methyloxolan-3-yl}methyl)amino]propyl}triaza-1,2-dien-2-ium",CNC1C(OC2C(OC3C(O)C(O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)CNCCCN=[N+]=N)OC(CO)C(O)C1O,"InChI=1/C24H48N11O11/c1-8-24(42,7-31-4-3-5-32-35-29)19(46-20-12(30-2)16(40)13(37)9(6-36)44-20)21(43-8)45-18-11(34-23(27)28)14(38)10(33-22(25)26)15(39)17(18)41/h8-21,29-31,36-42H,3-7H2,1-2H3,(H4,25,26,33)(H4,27,28,34)/q+1",IWSCWQVQANSNNE-UHFFFAOYNA-N,C24H48N11O11,Not Found,666.713,-6.968967945,16,21,14,3,RNA internal loops and hairpins,"3-azido streptomycin binds with RNA internal loops and hairpins, which may disrupt the function. Please see the reference for more details.",23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1595,5' azido Paromomycin,"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",N=[N+]=NCC1OC(OC2C(O)C(N)CC(N)C2OC2OC(CO)C(O)C(O)C2N)C(O)C1OC1OC(CN)C(O)C(O)C1N,"InChI=1/C23H45N8O13/c24-2-7-13(34)15(36)10(27)21(39-7)43-19-8(3-30-31-29)40-23(17(19)38)44-20-12(33)5(25)1-6(26)18(20)42-22-11(28)16(37)14(35)9(4-32)41-22/h5-23,29,32-38H,1-4,24-28H2/q+1",ITEUZLBVTSNIBM-UHFFFAOYNA-N,C23H45N8O13,Not Found,641.655,-7.487951518,13,20,10,4,RNA internal loops and hairpins,"5' azido Paromomycin binds with RNA internal loops and hairpins, which may disrupt the function. Please see the reference for more details.",23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1596,5' azido ribostamycin,"1-(2-{5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-3,4-dihydroxyoxolan-2-yl}ethyl)triaza-1,2-dien-2-ium",N=[N+]=NCCC1OC(OC2C(O)C(N)CC(N)C2OC2OC(CN)C(O)C(O)C2N)C(O)C1O,"InChI=1/C18H36N7O9/c19-4-8-12(28)13(29)9(22)17(32-8)33-15-6(21)3-5(20)10(26)16(15)34-18-14(30)11(27)7(31-18)1-2-24-25-23/h5-18,23,26-30H,1-4,19-22H2/q+1",LXHXQDAAEFYNIS-UHFFFAOYNA-N,C18H36N7O9,Not Found,494.525,-5.550274337,10,15,8,3,RNA internal loops and hairpins,"5' azido ribostamycin binds with RNA internal loops and hairpins, which may disrupt the function. Please see the reference for more details.",23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1597,6' azido amikacin,"1-[(4-amino-6-{[4-amino-6-(4-amino-2-hydroxybutanamido)-3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-3,5-dihydroxyoxan-2-yl)methyl]triaza-1,2-dien-2-ium hydrate",N=[N+]=NCC1OC(OC2C(NC(=O)C(O)CCN)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(N)C1O.O,"InChI=1/C22H43N9O11.H2O/c23-2-1-8(32)20(38)30-7-3-6(25)18(41-21-12(27)15(35)14(34)9(4-24)39-21)17(37)19(7)42-22-16(36)11(26)13(33)10(40-22)5-29-31-28;/h6-19,21-22,28,32-37H,1-5,23-27H2;1H2/p+1",UUWLJKNGSJMQNR-UHFFFAOYNA-O,C22H46N9O12,Not Found,628.66,-7.87092004,13,18,11,3,RNA internal loops and hairpins,"6' azido amikacin binds with RNA internal loops and hairpins, which may disrupt the function. Please see the reference for more details.",23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1598,6' azido apramycin,"1-{[3-amino-6-({6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-4,7-dihydroxy-3-(methylamino)-octahydropyrano[3,2-b]pyran-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]methyl}triaza-1,2-dien-2-ium",CNC1C(OC2OC(CN=[N+]=N)C(N)C(O)C2O)OC2CC(O)C(OC3C(N)CC(N)C(O)C3O)OC2C1O,"InChI=1/C21H40N7O11/c1-26-11-14(32)18-8(3-7(29)19(38-18)37-17-6(23)2-5(22)12(30)15(17)33)35-20(11)39-21-16(34)13(31)10(24)9(36-21)4-27-28-25/h5-21,25-26,29-34H,2-4,22-24H2,1H3/q+1",SPEZMQLAVREFIH-UHFFFAOYNA-N,C21H40N7O11,Not Found,566.588,-5.580884197,11,17,7,4,RNA internal loops and hairpins,"6' azido apramycin binds with RNA internal loops and hairpins, which may disrupt the function. Please see the reference for more details.",23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1599,6' azido Paromomycin,"1-{[5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-3,4-dihydroxyoxan-2-yl]methyl}triaza-1,2-dien-2-ium",N=[N+]=NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N8O13/c24-2-7-13(34)15(36)10(27)21(39-7)43-19-9(4-32)41-23(17(19)38)44-20-12(33)5(25)1-6(26)18(20)42-22-11(28)16(37)14(35)8(40-22)3-30-31-29/h5-23,29,32-38H,1-4,24-28H2/q+1",KYKHEMDROJVYRM-UHFFFAOYNA-N,C23H45N8O13,Not Found,641.655,-7.487951518,13,20,10,4,RNA internal loops and hairpins,"6' azido Paromomycin binds with RNA internal loops and hairpins, which may disrupt the function. Please see the reference for more details.",23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1600,RIB (5' azido ribostamycin),"1-(2-{5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-3,4-dihydroxyoxolan-2-yl}ethyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CCN=[N+]=N)C(O)C2O)C(N)C(O)C1O,"InChI=1/C18H36N7O9/c19-4-8-12(28)13(29)9(22)17(32-8)33-15-6(21)3-5(20)10(26)16(15)34-18-14(30)11(27)7(31-18)1-2-24-25-23/h5-18,23,26-30H,1-4,19-22H2/q+1",LXHXQDAAEFYNIS-UHFFFAOYNA-N,C18H36N7O9,Not Found,494.525,-5.550274337,10,15,8,3,RNA hairpin RIB HP 1: 5'-[ACUAAAUCGU]-3',The compound interacts with specific sequence of various HP of RNA hairpin RIB. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1601,RIB (5' azido ribostamycin),"1-(2-{5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-3,4-dihydroxyoxolan-2-yl}ethyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CCN=[N+]=N)C(O)C2O)C(N)C(O)C1O,"InChI=1/C18H36N7O9/c19-4-8-12(28)13(29)9(22)17(32-8)33-15-6(21)3-5(20)10(26)16(15)34-18-14(30)11(27)7(31-18)1-2-24-25-23/h5-18,23,26-30H,1-4,19-22H2/q+1",LXHXQDAAEFYNIS-UHFFFAOYNA-N,C18H36N7O9,Not Found,494.525,-5.550274337,10,15,8,3,RNA hairpin RIB HP 2: 5'-[ACAUGCCAGU]-3',The compound interacts with specific sequence of various HP of RNA hairpin RIB. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1602,RIB (5' azido ribostamycin),"1-(2-{5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-3,4-dihydroxyoxolan-2-yl}ethyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CCN=[N+]=N)C(O)C2O)C(N)C(O)C1O,"InChI=1/C18H36N7O9/c19-4-8-12(28)13(29)9(22)17(32-8)33-15-6(21)3-5(20)10(26)16(15)34-18-14(30)11(27)7(31-18)1-2-24-25-23/h5-18,23,26-30H,1-4,19-22H2/q+1",LXHXQDAAEFYNIS-UHFFFAOYNA-N,C18H36N7O9,Not Found,494.525,-5.550274337,10,15,8,3,RNA hairpin RIB HP 3: 5'-[ ACACACCAGU]-3',The compound interacts with specific sequence of various HP of RNA hairpin RIB. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1603,RIB (5' azido ribostamycin),"1-(2-{5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-3,4-dihydroxyoxolan-2-yl}ethyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CCN=[N+]=N)C(O)C2O)C(N)C(O)C1O,"InChI=1/C18H36N7O9/c19-4-8-12(28)13(29)9(22)17(32-8)33-15-6(21)3-5(20)10(26)16(15)34-18-14(30)11(27)7(31-18)1-2-24-25-23/h5-18,23,26-30H,1-4,19-22H2/q+1",LXHXQDAAEFYNIS-UHFFFAOYNA-N,C18H36N7O9,Not Found,494.525,-5.550274337,10,15,8,3,RNA hairpin RIB HP 4: 5'-[ACACACCGU]-3',The compound interacts with specific sequence of various HP of RNA hairpin RIB. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1604,RIB (5' azido ribostamycin),"1-(2-{5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-3,4-dihydroxyoxolan-2-yl}ethyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CCN=[N+]=N)C(O)C2O)C(N)C(O)C1O,"InChI=1/C18H36N7O9/c19-4-8-12(28)13(29)9(22)17(32-8)33-15-6(21)3-5(20)10(26)16(15)34-18-14(30)11(27)7(31-18)1-2-24-25-23/h5-18,23,26-30H,1-4,19-22H2/q+1",LXHXQDAAEFYNIS-UHFFFAOYNA-N,C18H36N7O9,Not Found,494.525,-5.550274337,10,15,8,3,RNA hairpin RIB HP 5: 5'-[ACAUCAUCGU]-3',The compound interacts with specific sequence of various HP of RNA hairpin RIB. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1605,RIB (5' azido ribostamycin),"1-(2-{5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-3,4-dihydroxyoxolan-2-yl}ethyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CCN=[N+]=N)C(O)C2O)C(N)C(O)C1O,"InChI=1/C18H36N7O9/c19-4-8-12(28)13(29)9(22)17(32-8)33-15-6(21)3-5(20)10(26)16(15)34-18-14(30)11(27)7(31-18)1-2-24-25-23/h5-18,23,26-30H,1-4,19-22H2/q+1",LXHXQDAAEFYNIS-UHFFFAOYNA-N,C18H36N7O9,Not Found,494.525,-5.550274337,10,15,8,3,RNA internal loop RIB IL 1: 5'-[AUUGCUAUACAUAU]-3',The compound interacts with specific sequence of various RNA internal loop RIB. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1606,RIB (5' azido ribostamycin),"1-(2-{5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-3,4-dihydroxyoxolan-2-yl}ethyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CCN=[N+]=N)C(O)C2O)C(N)C(O)C1O,"InChI=1/C18H36N7O9/c19-4-8-12(28)13(29)9(22)17(32-8)33-15-6(21)3-5(20)10(26)16(15)34-18-14(30)11(27)7(31-18)1-2-24-25-23/h5-18,23,26-30H,1-4,19-22H2/q+1",LXHXQDAAEFYNIS-UHFFFAOYNA-N,C18H36N7O9,Not Found,494.525,-5.550274337,10,15,8,3,RNA internal loop RIB IL 2: 5'-[AUUUUAUGCUAU]-3',The compound interacts with specific sequence of various RNA internal loop RIB. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1607,RIB (5' azido ribostamycin),"1-(2-{5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-3,4-dihydroxyoxolan-2-yl}ethyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CCN=[N+]=N)C(O)C2O)C(N)C(O)C1O,"InChI=1/C18H36N7O9/c19-4-8-12(28)13(29)9(22)17(32-8)33-15-6(21)3-5(20)10(26)16(15)34-18-14(30)11(27)7(31-18)1-2-24-25-23/h5-18,23,26-30H,1-4,19-22H2/q+1",LXHXQDAAEFYNIS-UHFFFAOYNA-N,C18H36N7O9,Not Found,494.525,-5.550274337,10,15,8,3,RNA internal loop RIB IL 3: 5'-[AUUUGUAUAGCUAU]-3',The compound interacts with specific sequence of various RNA internal loop RIB. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1608,RIB (5' azido ribostamycin),"1-(2-{5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-3,4-dihydroxyoxolan-2-yl}ethyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CCN=[N+]=N)C(O)C2O)C(N)C(O)C1O,"InChI=1/C18H36N7O9/c19-4-8-12(28)13(29)9(22)17(32-8)33-15-6(21)3-5(20)10(26)16(15)34-18-14(30)11(27)7(31-18)1-2-24-25-23/h5-18,23,26-30H,1-4,19-22H2/q+1",LXHXQDAAEFYNIS-UHFFFAOYNA-N,C18H36N7O9,Not Found,494.525,-5.550274337,10,15,8,3,RNA internal loop RIB IL 4: 5'-[AUAAAUAUAGUCAU]-3',The compound interacts with specific sequence of various RNA internal loop RIB. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1609,RIB (5' azido ribostamycin),"1-(2-{5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-3,4-dihydroxyoxolan-2-yl}ethyl)triaza-1,2-dien-2-ium",NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CCN=[N+]=N)C(O)C2O)C(N)C(O)C1O,"InChI=1/C18H36N7O9/c19-4-8-12(28)13(29)9(22)17(32-8)33-15-6(21)3-5(20)10(26)16(15)34-18-14(30)11(27)7(31-18)1-2-24-25-23/h5-18,23,26-30H,1-4,19-22H2/q+1",LXHXQDAAEFYNIS-UHFFFAOYNA-N,C18H36N7O9,Not Found,494.525,-5.550274337,10,15,8,3,RNA internal loop RIB IL 5: 5'-[AUUCAUAUAGCUAU]-3',The compound interacts with specific sequence of various RNA internal loop RIB. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1610,AMI (6'azido amikacin),"1-[(4-amino-6-{[4-amino-6-(4-amino-2-hydroxybutanamido)-3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-3,5-dihydroxyoxan-2-yl)methyl]triaza-1,2-dien-2-ium hydrate",O.NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2N)C(O)C1OC1OC(CN=[N+]=N)C(O)C(N)C1O,"InChI=1/C22H43N9O11.H2O/c23-2-1-8(32)20(38)30-7-3-6(25)18(41-21-12(27)15(35)14(34)9(4-24)39-21)17(37)19(7)42-22-16(36)11(26)13(33)10(40-22)5-29-31-28;/h6-19,21-22,28,32-37H,1-5,23-27H2;1H2/p+1",UUWLJKNGSJMQNR-UHFFFAOYNA-O,C22H46N9O12,Not Found,628.66,-7.87092004,13,18,11,3,RNA hairpin AMI HP 1,The compound interacts with various  HP of RNA hairpin AMI. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1611,AMI (6'azido amikacin),"1-[(4-amino-6-{[4-amino-6-(4-amino-2-hydroxybutanamido)-3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-3,5-dihydroxyoxan-2-yl)methyl]triaza-1,2-dien-2-ium hydrate",O.NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2N)C(O)C1OC1OC(CN=[N+]=N)C(O)C(N)C1O,"InChI=1/C22H43N9O11.H2O/c23-2-1-8(32)20(38)30-7-3-6(25)18(41-21-12(27)15(35)14(34)9(4-24)39-21)17(37)19(7)42-22-16(36)11(26)13(33)10(40-22)5-29-31-28;/h6-19,21-22,28,32-37H,1-5,23-27H2;1H2/p+1",UUWLJKNGSJMQNR-UHFFFAOYNA-O,C22H46N9O12,Not Found,628.66,-7.87092004,13,18,11,3,RNA hairpin AMI HP 2,The compound interacts with various  HP of RNA hairpin AMI. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1612,AMI (6'azido amikacin),"1-[(4-amino-6-{[4-amino-6-(4-amino-2-hydroxybutanamido)-3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-3,5-dihydroxyoxan-2-yl)methyl]triaza-1,2-dien-2-ium hydrate",O.NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2N)C(O)C1OC1OC(CN=[N+]=N)C(O)C(N)C1O,"InChI=1/C22H43N9O11.H2O/c23-2-1-8(32)20(38)30-7-3-6(25)18(41-21-12(27)15(35)14(34)9(4-24)39-21)17(37)19(7)42-22-16(36)11(26)13(33)10(40-22)5-29-31-28;/h6-19,21-22,28,32-37H,1-5,23-27H2;1H2/p+1",UUWLJKNGSJMQNR-UHFFFAOYNA-O,C22H46N9O12,Not Found,628.66,-7.87092004,13,18,11,3,RNA hairpin AMI HP 3,The compound interacts with various  HP of RNA hairpin AMI. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1613,AMI (6'azido amikacin),"1-[(4-amino-6-{[4-amino-6-(4-amino-2-hydroxybutanamido)-3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-3,5-dihydroxyoxan-2-yl)methyl]triaza-1,2-dien-2-ium hydrate",O.NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2N)C(O)C1OC1OC(CN=[N+]=N)C(O)C(N)C1O,"InChI=1/C22H43N9O11.H2O/c23-2-1-8(32)20(38)30-7-3-6(25)18(41-21-12(27)15(35)14(34)9(4-24)39-21)17(37)19(7)42-22-16(36)11(26)13(33)10(40-22)5-29-31-28;/h6-19,21-22,28,32-37H,1-5,23-27H2;1H2/p+1",UUWLJKNGSJMQNR-UHFFFAOYNA-O,C22H46N9O12,Not Found,628.66,-7.87092004,13,18,11,3,RNA hairpin AMI HP 4,The compound interacts with various  HP of RNA hairpin AMI. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1614,AMI (6'azido amikacin),"1-[(4-amino-6-{[4-amino-6-(4-amino-2-hydroxybutanamido)-3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-3,5-dihydroxyoxan-2-yl)methyl]triaza-1,2-dien-2-ium hydrate",O.NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2N)C(O)C1OC1OC(CN=[N+]=N)C(O)C(N)C1O,"InChI=1/C22H43N9O11.H2O/c23-2-1-8(32)20(38)30-7-3-6(25)18(41-21-12(27)15(35)14(34)9(4-24)39-21)17(37)19(7)42-22-16(36)11(26)13(33)10(40-22)5-29-31-28;/h6-19,21-22,28,32-37H,1-5,23-27H2;1H2/p+1",UUWLJKNGSJMQNR-UHFFFAOYNA-O,C22H46N9O12,Not Found,628.66,-7.87092004,13,18,11,3,RNA hairpin AMI HP 5,The compound interacts with various  HP of RNA hairpin AMI. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1615,APR (6' azido apramycin),"1-{[3-amino-6-({6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-4,7-dihydroxy-3-(methylamino)-octahydropyrano[3,2-b]pyran-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]methyl}triaza-1,2-dien-2-ium",CNC1C(O)C2OC(OC3C(N)CC(N)C(O)C3O)C(O)CC2OC1OC1OC(CN=[N+]=N)C(N)C(O)C1O,"InChI=1/C21H40N7O11/c1-26-11-14(32)18-8(3-7(29)19(38-18)37-17-6(23)2-5(22)12(30)15(17)33)35-20(11)39-21-16(34)13(31)10(24)9(36-21)4-27-28-25/h5-21,25-26,29-34H,2-4,22-24H2,1H3/q+1",SPEZMQLAVREFIH-UHFFFAOYNA-N,C21H40N7O11,Not Found,566.588,-5.580884197,11,17,7,4,RNA hairpin APR HP1,The compound interacts with various  HP of RNA hairpin APR. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1616,APR (6' azido apramycin),"1-{[3-amino-6-({6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-4,7-dihydroxy-3-(methylamino)-octahydropyrano[3,2-b]pyran-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]methyl}triaza-1,2-dien-2-ium",CNC1C(O)C2OC(OC3C(N)CC(N)C(O)C3O)C(O)CC2OC1OC1OC(CN=[N+]=N)C(N)C(O)C1O,"InChI=1/C21H40N7O11/c1-26-11-14(32)18-8(3-7(29)19(38-18)37-17-6(23)2-5(22)12(30)15(17)33)35-20(11)39-21-16(34)13(31)10(24)9(36-21)4-27-28-25/h5-21,25-26,29-34H,2-4,22-24H2,1H3/q+1",SPEZMQLAVREFIH-UHFFFAOYNA-N,C21H40N7O11,Not Found,566.588,-5.580884197,11,17,7,4,RNA hairpin APR HP2,The compound interacts with various  HP of RNA hairpin APR. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1617,APR (6' azido apramycin),"1-{[3-amino-6-({6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-4,7-dihydroxy-3-(methylamino)-octahydropyrano[3,2-b]pyran-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]methyl}triaza-1,2-dien-2-ium",CNC1C(O)C2OC(OC3C(N)CC(N)C(O)C3O)C(O)CC2OC1OC1OC(CN=[N+]=N)C(N)C(O)C1O,"InChI=1/C21H40N7O11/c1-26-11-14(32)18-8(3-7(29)19(38-18)37-17-6(23)2-5(22)12(30)15(17)33)35-20(11)39-21-16(34)13(31)10(24)9(36-21)4-27-28-25/h5-21,25-26,29-34H,2-4,22-24H2,1H3/q+1",SPEZMQLAVREFIH-UHFFFAOYNA-N,C21H40N7O11,Not Found,566.588,-5.580884197,11,17,7,4,RNA hairpin APR HP3,The compound interacts with various  HP of RNA hairpin APR. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1618,APR (6' azido apramycin),"1-{[3-amino-6-({6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-4,7-dihydroxy-3-(methylamino)-octahydropyrano[3,2-b]pyran-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]methyl}triaza-1,2-dien-2-ium",CNC1C(O)C2OC(OC3C(N)CC(N)C(O)C3O)C(O)CC2OC1OC1OC(CN=[N+]=N)C(N)C(O)C1O,"InChI=1/C21H40N7O11/c1-26-11-14(32)18-8(3-7(29)19(38-18)37-17-6(23)2-5(22)12(30)15(17)33)35-20(11)39-21-16(34)13(31)10(24)9(36-21)4-27-28-25/h5-21,25-26,29-34H,2-4,22-24H2,1H3/q+1",SPEZMQLAVREFIH-UHFFFAOYNA-N,C21H40N7O11,Not Found,566.588,-5.580884197,11,17,7,4,RNA hairpin APR HP4,The compound interacts with various  HP of RNA hairpin APR. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1619,APR (6' azido apramycin),"1-{[3-amino-6-({6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-4,7-dihydroxy-3-(methylamino)-octahydropyrano[3,2-b]pyran-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]methyl}triaza-1,2-dien-2-ium",CNC1C(O)C2OC(OC3C(N)CC(N)C(O)C3O)C(O)CC2OC1OC1OC(CN=[N+]=N)C(N)C(O)C1O,"InChI=1/C21H40N7O11/c1-26-11-14(32)18-8(3-7(29)19(38-18)37-17-6(23)2-5(22)12(30)15(17)33)35-20(11)39-21-16(34)13(31)10(24)9(36-21)4-27-28-25/h5-21,25-26,29-34H,2-4,22-24H2,1H3/q+1",SPEZMQLAVREFIH-UHFFFAOYNA-N,C21H40N7O11,Not Found,566.588,-5.580884197,11,17,7,4,RNA hairpin APR HP5,The compound interacts with various  HP of RNA hairpin APR. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1620,PAR II (5' azido Paromomycin),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N8O13/c24-2-7-13(34)15(36)10(27)21(39-7)43-19-8(3-30-31-29)40-23(17(19)38)44-20-12(33)5(25)1-6(26)18(20)42-22-11(28)16(37)14(35)9(4-32)41-22/h5-23,29,32-38H,1-4,24-28H2/q+1",ITEUZLBVTSNIBM-UHFFFAOYNA-N,C23H45N8O13,Not Found,641.655,-7.487951518,13,20,10,4,RNA hairpin PAR II HP1 ,The compound interacts with various  HP of RNA hairpin PAR II. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1621,PAR II (5' azido Paromomycin),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N8O13/c24-2-7-13(34)15(36)10(27)21(39-7)43-19-8(3-30-31-29)40-23(17(19)38)44-20-12(33)5(25)1-6(26)18(20)42-22-11(28)16(37)14(35)9(4-32)41-22/h5-23,29,32-38H,1-4,24-28H2/q+1",ITEUZLBVTSNIBM-UHFFFAOYNA-N,C23H45N8O13,Not Found,641.655,-7.487951518,13,20,10,4,RNA hairpin PAR II HP2,The compound interacts with various  HP of RNA hairpin PAR II. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1622,PAR II (5' azido Paromomycin),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N8O13/c24-2-7-13(34)15(36)10(27)21(39-7)43-19-8(3-30-31-29)40-23(17(19)38)44-20-12(33)5(25)1-6(26)18(20)42-22-11(28)16(37)14(35)9(4-32)41-22/h5-23,29,32-38H,1-4,24-28H2/q+1",ITEUZLBVTSNIBM-UHFFFAOYNA-N,C23H45N8O13,Not Found,641.655,-7.487951518,13,20,10,4,RNA hairpin PAR II HP3,The compound interacts with various  HP of RNA hairpin PAR II. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1623,PAR II (5' azido Paromomycin),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N8O13/c24-2-7-13(34)15(36)10(27)21(39-7)43-19-8(3-30-31-29)40-23(17(19)38)44-20-12(33)5(25)1-6(26)18(20)42-22-11(28)16(37)14(35)9(4-32)41-22/h5-23,29,32-38H,1-4,24-28H2/q+1",ITEUZLBVTSNIBM-UHFFFAOYNA-N,C23H45N8O13,Not Found,641.655,-7.487951518,13,20,10,4,RNA hairpin PAR II HP4,The compound interacts with various  HP of RNA hairpin PAR II. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1624,PAR II (5' azido Paromomycin),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N8O13/c24-2-7-13(34)15(36)10(27)21(39-7)43-19-8(3-30-31-29)40-23(17(19)38)44-20-12(33)5(25)1-6(26)18(20)42-22-11(28)16(37)14(35)9(4-32)41-22/h5-23,29,32-38H,1-4,24-28H2/q+1",ITEUZLBVTSNIBM-UHFFFAOYNA-N,C23H45N8O13,Not Found,641.655,-7.487951518,13,20,10,4,RNA hairpin PAR II HP5,The compound interacts with various  HP of RNA hairpin PAR II. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1625,STR (3-azido streptomycin),"1-{3-[({5-[(2,4-dicarbamimidamido-3,5,6-trihydroxycyclohexyl)oxy]-4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-3-hydroxy-2-methyloxolan-3-yl}methyl)amino]propyl}triaza-1,2-dien-2-ium",CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(NC(N)=N)C(O)C2NC(N)=N)OC(C)C1(O)CNCCCN=[N+]=N,"InChI=1/C24H48N11O11/c1-8-24(42,7-31-4-3-5-32-35-29)19(46-20-12(30-2)16(40)13(37)9(6-36)44-20)21(43-8)45-18-11(34-23(27)28)14(38)10(33-22(25)26)15(39)17(18)41/h8-21,29-31,36-42H,3-7H2,1-2H3,(H4,25,26,33)(H4,27,28,34)/q+1",IWSCWQVQANSNNE-UHFFFAOYNA-N,C24H48N11O11,Not Found,666.713,-6.968967945,16,21,14,3,RNA hairpin STR HP1,The compound interacts with various  HP of RNA hairpin STR. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1626,STR (3-azido streptomycin),"1-{3-[({5-[(2,4-dicarbamimidamido-3,5,6-trihydroxycyclohexyl)oxy]-4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-3-hydroxy-2-methyloxolan-3-yl}methyl)amino]propyl}triaza-1,2-dien-2-ium",CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(NC(N)=N)C(O)C2NC(N)=N)OC(C)C1(O)CNCCCN=[N+]=N,"InChI=1/C24H48N11O11/c1-8-24(42,7-31-4-3-5-32-35-29)19(46-20-12(30-2)16(40)13(37)9(6-36)44-20)21(43-8)45-18-11(34-23(27)28)14(38)10(33-22(25)26)15(39)17(18)41/h8-21,29-31,36-42H,3-7H2,1-2H3,(H4,25,26,33)(H4,27,28,34)/q+1",IWSCWQVQANSNNE-UHFFFAOYNA-N,C24H48N11O11,Not Found,666.713,-6.968967945,16,21,14,3,RNA hairpin STR HP2,The compound interacts with various  HP of RNA hairpin STR. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1627,STR (3-azido streptomycin),"1-{3-[({5-[(2,4-dicarbamimidamido-3,5,6-trihydroxycyclohexyl)oxy]-4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-3-hydroxy-2-methyloxolan-3-yl}methyl)amino]propyl}triaza-1,2-dien-2-ium",CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(NC(N)=N)C(O)C2NC(N)=N)OC(C)C1(O)CNCCCN=[N+]=N,"InChI=1/C24H48N11O11/c1-8-24(42,7-31-4-3-5-32-35-29)19(46-20-12(30-2)16(40)13(37)9(6-36)44-20)21(43-8)45-18-11(34-23(27)28)14(38)10(33-22(25)26)15(39)17(18)41/h8-21,29-31,36-42H,3-7H2,1-2H3,(H4,25,26,33)(H4,27,28,34)/q+1",IWSCWQVQANSNNE-UHFFFAOYNA-N,C24H48N11O11,Not Found,666.713,-6.968967945,16,21,14,3,RNA hairpin STR HP3,The compound interacts with various  HP of RNA hairpin STR. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1628,STR (3-azido streptomycin),"1-{3-[({5-[(2,4-dicarbamimidamido-3,5,6-trihydroxycyclohexyl)oxy]-4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-3-hydroxy-2-methyloxolan-3-yl}methyl)amino]propyl}triaza-1,2-dien-2-ium",CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(NC(N)=N)C(O)C2NC(N)=N)OC(C)C1(O)CNCCCN=[N+]=N,"InChI=1/C24H48N11O11/c1-8-24(42,7-31-4-3-5-32-35-29)19(46-20-12(30-2)16(40)13(37)9(6-36)44-20)21(43-8)45-18-11(34-23(27)28)14(38)10(33-22(25)26)15(39)17(18)41/h8-21,29-31,36-42H,3-7H2,1-2H3,(H4,25,26,33)(H4,27,28,34)/q+1",IWSCWQVQANSNNE-UHFFFAOYNA-N,C24H48N11O11,Not Found,666.713,-6.968967945,16,21,14,3,RNA hairpin STR HP4,The compound interacts with various  HP of RNA hairpin STR. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1629,STR (3-azido streptomycin),"1-{3-[({5-[(2,4-dicarbamimidamido-3,5,6-trihydroxycyclohexyl)oxy]-4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-3-hydroxy-2-methyloxolan-3-yl}methyl)amino]propyl}triaza-1,2-dien-2-ium",CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(NC(N)=N)C(O)C2NC(N)=N)OC(C)C1(O)CNCCCN=[N+]=N,"InChI=1/C24H48N11O11/c1-8-24(42,7-31-4-3-5-32-35-29)19(46-20-12(30-2)16(40)13(37)9(6-36)44-20)21(43-8)45-18-11(34-23(27)28)14(38)10(33-22(25)26)15(39)17(18)41/h8-21,29-31,36-42H,3-7H2,1-2H3,(H4,25,26,33)(H4,27,28,34)/q+1",IWSCWQVQANSNNE-UHFFFAOYNA-N,C24H48N11O11,Not Found,666.713,-6.968967945,16,21,14,3,RNA hairpin STR HP5,The compound interacts with various  HP of RNA hairpin STR. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1630,PAR I (6' azido Paromomycin),"1-{[5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-3,4-dihydroxyoxan-2-yl]methyl}triaza-1,2-dien-2-ium",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN=[N+]=N)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N8O13/c24-2-7-13(34)15(36)10(27)21(39-7)43-19-9(4-32)41-23(17(19)38)44-20-12(33)5(25)1-6(26)18(20)42-22-11(28)16(37)14(35)8(40-22)3-30-31-29/h5-23,29,32-38H,1-4,24-28H2/q+1",KYKHEMDROJVYRM-UHFFFAOYNA-N,C23H45N8O13,Not Found,641.655,-7.487951518,13,20,10,4,RNA hairpin PAR I HP1 ,The compound interacts with various HP of RNA hairpin PAR I. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1631,PAR I (6' azido Paromomycin),"1-{[5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-3,4-dihydroxyoxan-2-yl]methyl}triaza-1,2-dien-2-ium",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN=[N+]=N)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N8O13/c24-2-7-13(34)15(36)10(27)21(39-7)43-19-9(4-32)41-23(17(19)38)44-20-12(33)5(25)1-6(26)18(20)42-22-11(28)16(37)14(35)8(40-22)3-30-31-29/h5-23,29,32-38H,1-4,24-28H2/q+1",KYKHEMDROJVYRM-UHFFFAOYNA-N,C23H45N8O13,Not Found,641.655,-7.487951518,13,20,10,4,RNA hairpin PAR I HP2,The compound interacts with various HP of RNA hairpin PAR I. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1632,PAR I (6' azido Paromomycin),"1-{[5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-3,4-dihydroxyoxan-2-yl]methyl}triaza-1,2-dien-2-ium",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN=[N+]=N)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N8O13/c24-2-7-13(34)15(36)10(27)21(39-7)43-19-9(4-32)41-23(17(19)38)44-20-12(33)5(25)1-6(26)18(20)42-22-11(28)16(37)14(35)8(40-22)3-30-31-29/h5-23,29,32-38H,1-4,24-28H2/q+1",KYKHEMDROJVYRM-UHFFFAOYNA-N,C23H45N8O13,Not Found,641.655,-7.487951518,13,20,10,4,RNA hairpin PAR I HP3,The compound interacts with various HP of RNA hairpin PAR I. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1633,PAR I (6' azido Paromomycin),"1-{[5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-3,4-dihydroxyoxan-2-yl]methyl}triaza-1,2-dien-2-ium",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN=[N+]=N)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N8O13/c24-2-7-13(34)15(36)10(27)21(39-7)43-19-9(4-32)41-23(17(19)38)44-20-12(33)5(25)1-6(26)18(20)42-22-11(28)16(37)14(35)8(40-22)3-30-31-29/h5-23,29,32-38H,1-4,24-28H2/q+1",KYKHEMDROJVYRM-UHFFFAOYNA-N,C23H45N8O13,Not Found,641.655,-7.487951518,13,20,10,4,RNA hairpin PAR I HP4,The compound interacts with various HP of RNA hairpin PAR I. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1634,PAR I (6' azido Paromomycin),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-hydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3O)C2O)C(N)C(O)C1O,"InChI=1/C23H44N7O14/c24-2-7-12(33)14(35)10(27)21(39-7)43-19-8(3-29-30-28)40-23(17(19)38)44-20-11(32)5(25)1-6(26)18(20)42-22-16(37)15(36)13(34)9(4-31)41-22/h5-23,28,31-38H,1-4,24-27H2/q+1",OFKFUHWUXBKOEI-UHFFFAOYNA-N,C23H44N7O14,Not Found,642.639,-7.381069722,13,20,10,4,RNA hairpin PAR I HP5,The compound interacts with various HP of RNA hairpin PAR I. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1635,AMI (6'azido amikacin),"1-[(4-amino-6-{[4-amino-6-(4-amino-2-hydroxybutanamido)-3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-3,5-dihydroxyoxan-2-yl)methyl]triaza-1,2-dien-2-ium hydrate",O.NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2N)C(O)C1OC1OC(CN=[N+]=N)C(O)C(N)C1O,"InChI=1/C22H43N9O11.H2O/c23-2-1-8(32)20(38)30-7-3-6(25)18(41-21-12(27)15(35)14(34)9(4-24)39-21)17(37)19(7)42-22-16(36)11(26)13(33)10(40-22)5-29-31-28;/h6-19,21-22,28,32-37H,1-5,23-27H2;1H2/p+1",UUWLJKNGSJMQNR-UHFFFAOYNA-O,C22H46N9O12,Not Found,628.66,-7.87092004,13,18,11,3,RNA internal loop AMI IL 1,The compound interacts with various RNA internal loop AMI. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1636,AMI (6'azido amikacin),"1-[(4-amino-6-{[4-amino-6-(4-amino-2-hydroxybutanamido)-3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-3,5-dihydroxyoxan-2-yl)methyl]triaza-1,2-dien-2-ium hydrate",O.NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2N)C(O)C1OC1OC(CN=[N+]=N)C(O)C(N)C1O,"InChI=1/C22H43N9O11.H2O/c23-2-1-8(32)20(38)30-7-3-6(25)18(41-21-12(27)15(35)14(34)9(4-24)39-21)17(37)19(7)42-22-16(36)11(26)13(33)10(40-22)5-29-31-28;/h6-19,21-22,28,32-37H,1-5,23-27H2;1H2/p+1",UUWLJKNGSJMQNR-UHFFFAOYNA-O,C22H46N9O12,Not Found,628.66,-7.87092004,13,18,11,3,RNA internal loop AMI IL 2,The compound interacts with various RNA internal loop AMI. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1637,AMI (6'azido amikacin),"1-[(4-amino-6-{[4-amino-6-(4-amino-2-hydroxybutanamido)-3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-3,5-dihydroxyoxan-2-yl)methyl]triaza-1,2-dien-2-ium hydrate",O.NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2N)C(O)C1OC1OC(CN=[N+]=N)C(O)C(N)C1O,"InChI=1/C22H43N9O11.H2O/c23-2-1-8(32)20(38)30-7-3-6(25)18(41-21-12(27)15(35)14(34)9(4-24)39-21)17(37)19(7)42-22-16(36)11(26)13(33)10(40-22)5-29-31-28;/h6-19,21-22,28,32-37H,1-5,23-27H2;1H2/p+1",UUWLJKNGSJMQNR-UHFFFAOYNA-O,C22H46N9O12,Not Found,628.66,-7.87092004,13,18,11,3,RNA internal loop AMI IL 3,The compound interacts with various RNA internal loop AMI. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1638,AMI (6'azido amikacin),"1-[(4-amino-6-{[4-amino-6-(4-amino-2-hydroxybutanamido)-3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-3,5-dihydroxyoxan-2-yl)methyl]triaza-1,2-dien-2-ium hydrate",O.NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2N)C(O)C1OC1OC(CN=[N+]=N)C(O)C(N)C1O,"InChI=1/C22H43N9O11.H2O/c23-2-1-8(32)20(38)30-7-3-6(25)18(41-21-12(27)15(35)14(34)9(4-24)39-21)17(37)19(7)42-22-16(36)11(26)13(33)10(40-22)5-29-31-28;/h6-19,21-22,28,32-37H,1-5,23-27H2;1H2/p+1",UUWLJKNGSJMQNR-UHFFFAOYNA-O,C22H46N9O12,Not Found,628.66,-7.87092004,13,18,11,3,RNA internal loop AMI IL 4,The compound interacts with various RNA internal loop AMI. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1639,AMI (6'azido amikacin),"1-[(4-amino-6-{[4-amino-6-(4-amino-2-hydroxybutanamido)-3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-3,5-dihydroxyoxan-2-yl)methyl]triaza-1,2-dien-2-ium hydrate",O.NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2N)C(O)C1OC1OC(CN=[N+]=N)C(O)C(N)C1O,"InChI=1/C22H43N9O11.H2O/c23-2-1-8(32)20(38)30-7-3-6(25)18(41-21-12(27)15(35)14(34)9(4-24)39-21)17(37)19(7)42-22-16(36)11(26)13(33)10(40-22)5-29-31-28;/h6-19,21-22,28,32-37H,1-5,23-27H2;1H2/p+1",UUWLJKNGSJMQNR-UHFFFAOYNA-O,C22H46N9O12,Not Found,628.66,-7.87092004,13,18,11,3,RNA internal loop AMI IL 5,The compound interacts with various RNA internal loop AMI. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1640,APR (6' azido apramycin),"1-{[3-amino-6-({6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-4,7-dihydroxy-3-(methylamino)-octahydropyrano[3,2-b]pyran-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]methyl}triaza-1,2-dien-2-ium",CNC1C(O)C2OC(OC3C(N)CC(N)C(O)C3O)C(O)CC2OC1OC1OC(CN=[N+]=N)C(N)C(O)C1O,"InChI=1/C21H40N7O11/c1-26-11-14(32)18-8(3-7(29)19(38-18)37-17-6(23)2-5(22)12(30)15(17)33)35-20(11)39-21-16(34)13(31)10(24)9(36-21)4-27-28-25/h5-21,25-26,29-34H,2-4,22-24H2,1H3/q+1",SPEZMQLAVREFIH-UHFFFAOYNA-N,C21H40N7O11,Not Found,566.588,-5.580884197,11,17,7,4,RNA internal loop APR IL 1,The compound interacts with various RNA internal loop APR. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1641,APR (6' azido apramycin),"1-{[3-amino-6-({6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-4,7-dihydroxy-3-(methylamino)-octahydropyrano[3,2-b]pyran-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]methyl}triaza-1,2-dien-2-ium",CNC1C(O)C2OC(OC3C(N)CC(N)C(O)C3O)C(O)CC2OC1OC1OC(CN=[N+]=N)C(N)C(O)C1O,"InChI=1/C21H40N7O11/c1-26-11-14(32)18-8(3-7(29)19(38-18)37-17-6(23)2-5(22)12(30)15(17)33)35-20(11)39-21-16(34)13(31)10(24)9(36-21)4-27-28-25/h5-21,25-26,29-34H,2-4,22-24H2,1H3/q+1",SPEZMQLAVREFIH-UHFFFAOYNA-N,C21H40N7O11,Not Found,566.588,-5.580884197,11,17,7,4,RNA internal loop APR IL 2,The compound interacts with various RNA internal loop APR. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1642,APR (6' azido apramycin),"1-{[3-amino-6-({6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-4,7-dihydroxy-3-(methylamino)-octahydropyrano[3,2-b]pyran-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]methyl}triaza-1,2-dien-2-ium",CNC1C(O)C2OC(OC3C(N)CC(N)C(O)C3O)C(O)CC2OC1OC1OC(CN=[N+]=N)C(N)C(O)C1O,"InChI=1/C21H40N7O11/c1-26-11-14(32)18-8(3-7(29)19(38-18)37-17-6(23)2-5(22)12(30)15(17)33)35-20(11)39-21-16(34)13(31)10(24)9(36-21)4-27-28-25/h5-21,25-26,29-34H,2-4,22-24H2,1H3/q+1",SPEZMQLAVREFIH-UHFFFAOYNA-N,C21H40N7O11,Not Found,566.588,-5.580884197,11,17,7,4,RNA internal loop APR IL 3,The compound interacts with various RNA internal loop APR. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1643,APR (6' azido apramycin),"1-{[3-amino-6-({6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-4,7-dihydroxy-3-(methylamino)-octahydropyrano[3,2-b]pyran-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]methyl}triaza-1,2-dien-2-ium",CNC1C(O)C2OC(OC3C(N)CC(N)C(O)C3O)C(O)CC2OC1OC1OC(CN=[N+]=N)C(N)C(O)C1O,"InChI=1/C21H40N7O11/c1-26-11-14(32)18-8(3-7(29)19(38-18)37-17-6(23)2-5(22)12(30)15(17)33)35-20(11)39-21-16(34)13(31)10(24)9(36-21)4-27-28-25/h5-21,25-26,29-34H,2-4,22-24H2,1H3/q+1",SPEZMQLAVREFIH-UHFFFAOYNA-N,C21H40N7O11,Not Found,566.588,-5.580884197,11,17,7,4,RNA internal loop APR IL 4,The compound interacts with various RNA internal loop APR. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1644,APR (6' azido apramycin),"1-{[3-amino-6-({6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-4,7-dihydroxy-3-(methylamino)-octahydropyrano[3,2-b]pyran-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]methyl}triaza-1,2-dien-2-ium",CNC1C(O)C2OC(OC3C(N)CC(N)C(O)C3O)C(O)CC2OC1OC1OC(CN=[N+]=N)C(N)C(O)C1O,"InChI=1/C21H40N7O11/c1-26-11-14(32)18-8(3-7(29)19(38-18)37-17-6(23)2-5(22)12(30)15(17)33)35-20(11)39-21-16(34)13(31)10(24)9(36-21)4-27-28-25/h5-21,25-26,29-34H,2-4,22-24H2,1H3/q+1",SPEZMQLAVREFIH-UHFFFAOYNA-N,C21H40N7O11,Not Found,566.588,-5.580884197,11,17,7,4,RNA internal loop APR IL 5,The compound interacts with various RNA internal loop APR. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1645,PAR I (6' azido Paromomycin),"1-{[5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-3,4-dihydroxyoxan-2-yl]methyl}triaza-1,2-dien-2-ium",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN=[N+]=N)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N8O13/c24-2-7-13(34)15(36)10(27)21(39-7)43-19-9(4-32)41-23(17(19)38)44-20-12(33)5(25)1-6(26)18(20)42-22-11(28)16(37)14(35)8(40-22)3-30-31-29/h5-23,29,32-38H,1-4,24-28H2/q+1",KYKHEMDROJVYRM-UHFFFAOYNA-N,C23H45N8O13,Not Found,641.655,-7.487951518,13,20,10,4,RNA internal loop PAR I IL 1 ,The compound interacts with various RNA internal loop PAR I. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1646,PAR I (6' azido Paromomycin),"1-{[5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-3,4-dihydroxyoxan-2-yl]methyl}triaza-1,2-dien-2-ium",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN=[N+]=N)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N8O13/c24-2-7-13(34)15(36)10(27)21(39-7)43-19-9(4-32)41-23(17(19)38)44-20-12(33)5(25)1-6(26)18(20)42-22-11(28)16(37)14(35)8(40-22)3-30-31-29/h5-23,29,32-38H,1-4,24-28H2/q+1",KYKHEMDROJVYRM-UHFFFAOYNA-N,C23H45N8O13,Not Found,641.655,-7.487951518,13,20,10,4,RNA internal loop PAR I IL 2,The compound interacts with various RNA internal loop PAR I. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1647,PAR I (6' azido Paromomycin),"1-{[5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-3,4-dihydroxyoxan-2-yl]methyl}triaza-1,2-dien-2-ium",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN=[N+]=N)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N8O13/c24-2-7-13(34)15(36)10(27)21(39-7)43-19-9(4-32)41-23(17(19)38)44-20-12(33)5(25)1-6(26)18(20)42-22-11(28)16(37)14(35)8(40-22)3-30-31-29/h5-23,29,32-38H,1-4,24-28H2/q+1",KYKHEMDROJVYRM-UHFFFAOYNA-N,C23H45N8O13,Not Found,641.655,-7.487951518,13,20,10,4,RNA internal loop PAR I IL 3,The compound interacts with various RNA internal loop PAR I. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1648,PAR I (6' azido Paromomycin),"1-{[5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-3,4-dihydroxyoxan-2-yl]methyl}triaza-1,2-dien-2-ium",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN=[N+]=N)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N8O13/c24-2-7-13(34)15(36)10(27)21(39-7)43-19-9(4-32)41-23(17(19)38)44-20-12(33)5(25)1-6(26)18(20)42-22-11(28)16(37)14(35)8(40-22)3-30-31-29/h5-23,29,32-38H,1-4,24-28H2/q+1",KYKHEMDROJVYRM-UHFFFAOYNA-N,C23H45N8O13,Not Found,641.655,-7.487951518,13,20,10,4,RNA internal loop PAR I IL 4,The compound interacts with various RNA internal loop PAR I. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1649,PAR I (6' azido Paromomycin),"1-{[5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-3,4-dihydroxyoxan-2-yl]methyl}triaza-1,2-dien-2-ium",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN=[N+]=N)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N8O13/c24-2-7-13(34)15(36)10(27)21(39-7)43-19-9(4-32)41-23(17(19)38)44-20-12(33)5(25)1-6(26)18(20)42-22-11(28)16(37)14(35)8(40-22)3-30-31-29/h5-23,29,32-38H,1-4,24-28H2/q+1",KYKHEMDROJVYRM-UHFFFAOYNA-N,C23H45N8O13,Not Found,641.655,-7.487951518,13,20,10,4,RNA internal loop PAR I IL 5,The compound interacts with various RNA internal loop PAR I. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1650,STR (3-azido streptomycin),"1-{3-[({5-[(2,4-dicarbamimidamido-3,5,6-trihydroxycyclohexyl)oxy]-4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-3-hydroxy-2-methyloxolan-3-yl}methyl)amino]propyl}triaza-1,2-dien-2-ium",CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(NC(N)=N)C(O)C2NC(N)=N)OC(C)C1(O)CNCCCN=[N+]=N,"InChI=1/C24H48N11O11/c1-8-24(42,7-31-4-3-5-32-35-29)19(46-20-12(30-2)16(40)13(37)9(6-36)44-20)21(43-8)45-18-11(34-23(27)28)14(38)10(33-22(25)26)15(39)17(18)41/h8-21,29-31,36-42H,3-7H2,1-2H3,(H4,25,26,33)(H4,27,28,34)/q+1",IWSCWQVQANSNNE-UHFFFAOYNA-N,C24H48N11O11,Not Found,666.713,-6.968967945,16,21,14,3,RNA internal loop STR IL 1,The compound interacts with various RNA internal loop STR. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1651,STR (3-azido streptomycin),"1-{3-[({5-[(2,4-dicarbamimidamido-3,5,6-trihydroxycyclohexyl)oxy]-4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-3-hydroxy-2-methyloxolan-3-yl}methyl)amino]propyl}triaza-1,2-dien-2-ium",CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(NC(N)=N)C(O)C2NC(N)=N)OC(C)C1(O)CNCCCN=[N+]=N,"InChI=1/C24H48N11O11/c1-8-24(42,7-31-4-3-5-32-35-29)19(46-20-12(30-2)16(40)13(37)9(6-36)44-20)21(43-8)45-18-11(34-23(27)28)14(38)10(33-22(25)26)15(39)17(18)41/h8-21,29-31,36-42H,3-7H2,1-2H3,(H4,25,26,33)(H4,27,28,34)/q+1",IWSCWQVQANSNNE-UHFFFAOYNA-N,C24H48N11O11,Not Found,666.713,-6.968967945,16,21,14,3,RNA internal loop STR IL 2,The compound interacts with various RNA internal loop STR. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1652,STR (3-azido streptomycin),"1-{3-[({5-[(2,4-dicarbamimidamido-3,5,6-trihydroxycyclohexyl)oxy]-4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-3-hydroxy-2-methyloxolan-3-yl}methyl)amino]propyl}triaza-1,2-dien-2-ium",CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(NC(N)=N)C(O)C2NC(N)=N)OC(C)C1(O)CNCCCN=[N+]=N,"InChI=1/C24H48N11O11/c1-8-24(42,7-31-4-3-5-32-35-29)19(46-20-12(30-2)16(40)13(37)9(6-36)44-20)21(43-8)45-18-11(34-23(27)28)14(38)10(33-22(25)26)15(39)17(18)41/h8-21,29-31,36-42H,3-7H2,1-2H3,(H4,25,26,33)(H4,27,28,34)/q+1",IWSCWQVQANSNNE-UHFFFAOYNA-N,C24H48N11O11,Not Found,666.713,-6.968967945,16,21,14,3,RNA internal loop STR IL 3,The compound interacts with various RNA internal loop STR. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1653,STR (3-azido streptomycin),"1-{3-[({5-[(2,4-dicarbamimidamido-3,5,6-trihydroxycyclohexyl)oxy]-4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-3-hydroxy-2-methyloxolan-3-yl}methyl)amino]propyl}triaza-1,2-dien-2-ium",CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(NC(N)=N)C(O)C2NC(N)=N)OC(C)C1(O)CNCCCN=[N+]=N,"InChI=1/C24H48N11O11/c1-8-24(42,7-31-4-3-5-32-35-29)19(46-20-12(30-2)16(40)13(37)9(6-36)44-20)21(43-8)45-18-11(34-23(27)28)14(38)10(33-22(25)26)15(39)17(18)41/h8-21,29-31,36-42H,3-7H2,1-2H3,(H4,25,26,33)(H4,27,28,34)/q+1",IWSCWQVQANSNNE-UHFFFAOYNA-N,C24H48N11O11,Not Found,666.713,-6.968967945,16,21,14,3,RNA internal loop STR IL 4,The compound interacts with various RNA internal loop STR. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1654,STR (3-azido streptomycin),"1-{3-[({5-[(2,4-dicarbamimidamido-3,5,6-trihydroxycyclohexyl)oxy]-4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-3-hydroxy-2-methyloxolan-3-yl}methyl)amino]propyl}triaza-1,2-dien-2-ium",CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(NC(N)=N)C(O)C2NC(N)=N)OC(C)C1(O)CNCCCN=[N+]=N,"InChI=1/C24H48N11O11/c1-8-24(42,7-31-4-3-5-32-35-29)19(46-20-12(30-2)16(40)13(37)9(6-36)44-20)21(43-8)45-18-11(34-23(27)28)14(38)10(33-22(25)26)15(39)17(18)41/h8-21,29-31,36-42H,3-7H2,1-2H3,(H4,25,26,33)(H4,27,28,34)/q+1",IWSCWQVQANSNNE-UHFFFAOYNA-N,C24H48N11O11,Not Found,666.713,-6.968967945,16,21,14,3,RNA internal loop STR IL 5,The compound interacts with various RNA internal loop STR. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1655,PAR II (5' azido Paromomycin),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N8O13/c24-2-7-13(34)15(36)10(27)21(39-7)43-19-8(3-30-31-29)40-23(17(19)38)44-20-12(33)5(25)1-6(26)18(20)42-22-11(28)16(37)14(35)9(4-32)41-22/h5-23,29,32-38H,1-4,24-28H2/q+1",ITEUZLBVTSNIBM-UHFFFAOYNA-N,C23H45N8O13,Not Found,641.655,-7.487951518,13,20,10,4,RNA internal loop PAR II IL 1 ,The compound interacts with various RNA loop PAR II. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1656,PAR II (5' azido Paromomycin),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N8O13/c24-2-7-13(34)15(36)10(27)21(39-7)43-19-8(3-30-31-29)40-23(17(19)38)44-20-12(33)5(25)1-6(26)18(20)42-22-11(28)16(37)14(35)9(4-32)41-22/h5-23,29,32-38H,1-4,24-28H2/q+1",ITEUZLBVTSNIBM-UHFFFAOYNA-N,C23H45N8O13,Not Found,641.655,-7.487951518,13,20,10,4,RNA internal loop PAR II IL 2,The compound interacts with various RNA loop PAR II. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1657,PAR II (5' azido Paromomycin),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N8O13/c24-2-7-13(34)15(36)10(27)21(39-7)43-19-8(3-30-31-29)40-23(17(19)38)44-20-12(33)5(25)1-6(26)18(20)42-22-11(28)16(37)14(35)9(4-32)41-22/h5-23,29,32-38H,1-4,24-28H2/q+1",ITEUZLBVTSNIBM-UHFFFAOYNA-N,C23H45N8O13,Not Found,641.655,-7.487951518,13,20,10,4,RNA internal loop PAR II IL 3,The compound interacts with various RNA loop PAR II. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1658,PAR II (5' azido Paromomycin),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N8O13/c24-2-7-13(34)15(36)10(27)21(39-7)43-19-8(3-30-31-29)40-23(17(19)38)44-20-12(33)5(25)1-6(26)18(20)42-22-11(28)16(37)14(35)9(4-32)41-22/h5-23,29,32-38H,1-4,24-28H2/q+1",ITEUZLBVTSNIBM-UHFFFAOYNA-N,C23H45N8O13,Not Found,641.655,-7.487951518,13,20,10,4,RNA internal loop PAR II IL 4,The compound interacts with various RNA loop PAR II. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1659,PAR II (5' azido Paromomycin),"1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]triaza-1,2-dien-2-ium",NCC1OC(OC2C(CN=[N+]=N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N8O13/c24-2-7-13(34)15(36)10(27)21(39-7)43-19-8(3-30-31-29)40-23(17(19)38)44-20-12(33)5(25)1-6(26)18(20)42-22-11(28)16(37)14(35)9(4-32)41-22/h5-23,29,32-38H,1-4,24-28H2/q+1",ITEUZLBVTSNIBM-UHFFFAOYNA-N,C23H45N8O13,Not Found,641.655,-7.487951518,13,20,10,4,RNA internal loop PAR II IL 5,The compound interacts with various RNA loop PAR II. Please see the reference for more details.,23719281,,,,,,"Velagapudi SP, Disney MD. Defining RNA motif-aminoglycoside interactions via two-dimensional combinatorial screening and structure-activity relationships through sequencing. Bioorg Med Chem. 2013 Oct 15;21(20):6132-8. doi: 10.1016/j.bmc.2013.04.072. Epub 2013 May 7. PMID: 23719281; PMCID: PMC3789863.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23719281/,,,,,,Not Found,No,No,,,,
DBoRL1660,Daunomycin,"(2R,3R,4R,6S)-6-{[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}-3-hydroxy-2-methyloxan-4-aminium",[H][N+]([H])([H])[C@@H]1C[C@@H](O[C@H]2C[C@@](O)(CC3=C2C(O)=C2C(=O)C4=C(OC)C=CC=C4C(=O)C2=C3O)C(C)=O)O[C@H](C)[C@@H]1O,"InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/p+1/t10-,14-,16+,17-,22+,27+/m1/s1",STQGQHZAVUOBTE-UTZOYOBFSA-O,C27H30NO10,Not Found,528.533,1.356178398,5,10,4,5,ss RNA: Poly(G),"Antitumor antibiotic daunomycin has the affinity to binds with single stranded polyribonucleotides like poly(G), poly(I), poly(C) and poly(U). Strong, specific but differential binding of this compound to the single stranded RNAs, highlight the role of their structural differences in the interaction profile.",23769768,,,,,,"Das A, Kumar GS. Binding of the plant alkaloid aristololactam-?-d-glucoside and antitumor antibiotic daunomycin to single stranded polyribonucleotides. Biochim Biophys Acta. 2013 Oct;1830(10):4708-18. doi: 10.1016/j.bbagen.2013.06.001. Epub 2013 Jun 12. PMID: 23769768.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23769768/,,,,,,Not Found,Yes,Yes,,DB00694,https://go.drugbank.com/drugs/DB00694,This is the isomeric form of the drug approved by USFDA.
DBoRL1661,Daunomycin,"(2R,3R,4R,6S)-6-{[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}-3-hydroxy-2-methyloxan-4-aminium",[H][N+]([H])([H])[C@@H]1C[C@@H](O[C@H]2C[C@@](O)(CC3=C2C(O)=C2C(=O)C4=C(OC)C=CC=C4C(=O)C2=C3O)C(C)=O)O[C@H](C)[C@@H]1O,"InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/p+1/t10-,14-,16+,17-,22+,27+/m1/s1",STQGQHZAVUOBTE-UTZOYOBFSA-O,C27H30NO10,Not Found,528.533,1.356178398,5,10,4,5,ss RNA: Poly(I) ,"Antitumor antibiotic daunomycin has the affinity to binds with single stranded polyribonucleotides like poly(G), poly(I), poly(C) and poly(U). Strong, specific but differential binding of this compound to the single stranded RNAs, highlight the role of their structural differences in the interaction profile.",23769768,,,,,,"Das A, Kumar GS. Binding of the plant alkaloid aristololactam-?-d-glucoside and antitumor antibiotic daunomycin to single stranded polyribonucleotides. Biochim Biophys Acta. 2013 Oct;1830(10):4708-18. doi: 10.1016/j.bbagen.2013.06.001. Epub 2013 Jun 12. PMID: 23769768.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23769768/,,,,,,Not Found,Yes,Yes,,DB00694,https://go.drugbank.com/drugs/DB00694,This is the isomeric form of the drug approved by USFDA.
DBoRL1662,Daunomycin,"(2R,3R,4R,6S)-6-{[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}-3-hydroxy-2-methyloxan-4-aminium",[H][N+]([H])([H])[C@@H]1C[C@@H](O[C@H]2C[C@@](O)(CC3=C2C(O)=C2C(=O)C4=C(OC)C=CC=C4C(=O)C2=C3O)C(C)=O)O[C@H](C)[C@@H]1O,"InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/p+1/t10-,14-,16+,17-,22+,27+/m1/s1",STQGQHZAVUOBTE-UTZOYOBFSA-O,C27H30NO10,Not Found,528.533,1.356178398,5,10,4,5,ss RNA: Poly(U),"Antitumor antibiotic daunomycin has the affinity to binds with single stranded polyribonucleotides like poly(G), poly(I), poly(C) and poly(U). Strong, specific but differential binding of this compound to the single stranded RNAs, highlight the role of their structural differences in the interaction profile.",23769768,,,,,,"Das A, Kumar GS. Binding of the plant alkaloid aristololactam-?-d-glucoside and antitumor antibiotic daunomycin to single stranded polyribonucleotides. Biochim Biophys Acta. 2013 Oct;1830(10):4708-18. doi: 10.1016/j.bbagen.2013.06.001. Epub 2013 Jun 12. PMID: 23769768.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23769768/,,,,,,Not Found,Yes,Yes,,DB00694,https://go.drugbank.com/drugs/DB00694,This is the isomeric form of the drug approved by USFDA.
DBoRL1663,Daunomycin,"(2R,3R,4R,6S)-6-{[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}-3-hydroxy-2-methyloxan-4-aminium",[H][N+]([H])([H])[C@@H]1C[C@@H](O[C@H]2C[C@@](O)(CC3=C2C(O)=C2C(=O)C4=C(OC)C=CC=C4C(=O)C2=C3O)C(C)=O)O[C@H](C)[C@@H]1O,"InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/p+1/t10-,14-,16+,17-,22+,27+/m1/s1",STQGQHZAVUOBTE-UTZOYOBFSA-O,C27H30NO10,Not Found,528.533,1.356178398,5,10,4,5,ss RNA: Poly (C),"Antitumor antibiotic daunomycin has the affinity to binds with single stranded polyribonucleotides like poly(G), poly(I), poly(C) and poly(U). Strong, specific but differential binding of this compound to the single stranded RNAs, highlight the role of their structural differences in the interaction profile.",23769768,,,,,,"Das A, Kumar GS. Binding of the plant alkaloid aristololactam-?-d-glucoside and antitumor antibiotic daunomycin to single stranded polyribonucleotides. Biochim Biophys Acta. 2013 Oct;1830(10):4708-18. doi: 10.1016/j.bbagen.2013.06.001. Epub 2013 Jun 12. PMID: 23769768.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23769768/,,,,,,Not Found,Yes,Yes,,DB00694,https://go.drugbank.com/drugs/DB00694,This is the isomeric form of the drug approved by USFDA.
DBoRL1664,Aristololactam- beta-D-glucoside,"14-methoxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.0?,?.0?,??.0??,??]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one",[H]C1(CO)OC([H])(N2C(=O)C3=CC4=C(OCO4)C4=C3C2=CC2=C4C=CC=C2OC)C([H])(O)C([H])(O)C1([H])O,"InChI=1/C23H21NO9/c1-30-13-4-2-3-9-10(13)5-12-16-11(6-14-21(17(9)16)32-8-31-14)22(29)24(12)23-20(28)19(27)18(26)15(7-25)33-23/h2-6,15,18-20,23,25-28H,7-8H2,1H3",GIDCUQKCIZAUKW-UHFFFAOYNA-N,C23H21NO9,Not Found,455.419,-0.01349556,4,9,3,6,ss RNA: Poly(G),"The plant alkaloid aristololactam-?-D-glucoside has the affinity to binds with single stranded polyribonucleotides like poly(G), poly(I). Strong, specific but differential binding of this compound to the single stranded RNAs, highlight the role of their structural differences in the interaction profile.",23769768,,,,,,"Das A, Kumar GS. Binding of the plant alkaloid aristololactam-?-d-glucoside and antitumor antibiotic daunomycin to single stranded polyribonucleotides. Biochim Biophys Acta. 2013 Oct;1830(10):4708-18. doi: 10.1016/j.bbagen.2013.06.001. Epub 2013 Jun 12. PMID: 23769768.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23769768/,,,,,,53462738,No,No,,,,
DBoRL1665,Aristololactam- beta -D-glucoside,"14-methoxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.0?,?.0?,??.0??,??]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one",[H]C1(CO)OC([H])(N2C(=O)C3=CC4=C(OCO4)C4=C3C2=CC2=C4C=CC=C2OC)C([H])(O)C([H])(O)C1([H])O,"InChI=1/C23H21NO9/c1-30-13-4-2-3-9-10(13)5-12-16-11(6-14-21(17(9)16)32-8-31-14)22(29)24(12)23-20(28)19(27)18(26)15(7-25)33-23/h2-6,15,18-20,23,25-28H,7-8H2,1H3",GIDCUQKCIZAUKW-UHFFFAOYNA-N,C23H21NO9,Not Found,455.419,-0.01349556,4,9,3,6,ss RNA: Poly(I) ,"The plant alkaloid aristololactam-?-D-glucoside has the affinity to binds with single stranded polyribonucleotides like poly(G), poly(I). Strong, specific but differential binding of this compound to the single stranded RNAs, highlight the role of their structural differences in the interaction profile.",23769768,,,,,,"Das A, Kumar GS. Binding of the plant alkaloid aristololactam-?-d-glucoside and antitumor antibiotic daunomycin to single stranded polyribonucleotides. Biochim Biophys Acta. 2013 Oct;1830(10):4708-18. doi: 10.1016/j.bbagen.2013.06.001. Epub 2013 Jun 12. PMID: 23769768.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23769768/,,,,,,53462738,No,No,,,,
DBoRL1666,Fusidic acid,"2-[2-(acetyloxy)-7,10-dihydroxy-3a,3b,6,9a-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-ylidene]-6-methylhept-5-enoic acid",CC(=O)OC1CC2(C)C(CC(O)C3C4(C)CCC(O)C(C)C4CCC32C)C1=C(CCC=C(C)C)C(=O)O,"InChI=1/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)",IECPWNUMDGFDKC-UHFFFAOYNA-N,C31H48O6,Not Found,516.719,4.421913816,3,5,6,4,70S Ribosome,"Fusidic acid is responsible for changes occurring during intermediate states of translocation, including large scale rotation of the 30S subunit head and body.",23812722,,,,,,"Zhou J, Lancaster L, Donohue JP, Noller HF. Crystal structures of EF-G-ribosome complexes trapped in intermediate states of translocation. Science. 2013 Jun 28;340(6140):1236086. doi: 10.1126/science.1236086. PMID: 23812722; PMCID: PMC3979973.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23812722/,,,,,,3443,Yes,Yes,Investigational,DB02703,https://go.drugbank.com/drugs/DB02703,
DBoRL1667,Apramycin,"5-amino-2-({7-amino-6-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-4-hydroxy-3-(methylamino)-octahydropyrano[3,2-b]pyran-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4-diol",CNC1C(O)C2OC(OC3C(N)CC(N)C(O)C3O)C(N)CC2OC1OC1OC(CO)C(N)C(O)C1O,"InChI=1/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3",XZNUGFQTQHRASN-UHFFFAOYNA-N,C21H41N5O11,Not Found,539.583,-6.508110424,11,16,6,4,4K31 Leishmania ribosomal A sit RNA: 5'- [r(UUGCGUCGUUCCGGAAAAGUCGC)]-3',"Apramycin, shown to be a strong binding to the leishmanial ribosome lacking an antileishmanial activity. Apramycin binds to rRNA duplexes mimicking their putative leishmanial ribosome binding. Apramycin molecules were found to interacts with the G?C pairs region connecting the two putative binding sites present in the rRNA model.",23898171,,,,,,"Shalev M, Kondo J, Kopelyanskiy D, Jaffe CL, Adir N, Baasov T. Identification of the molecular attributes required for aminoglycoside activity against Leishmania. Proc Natl Acad Sci U S A. 2013 Aug 13;110(33):13333-8. doi: 10.1073/pnas.1307365110. Epub 2013 Jul 29. PMID: 23898171; PMCID: PMC3746865.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23898171/,,,,,,439519,Yes,No,Experimental Vet_approved,DB04626,https://go.drugbank.com/drugs/DB04626,
DBoRL1668,Geneticin ,"(2S,3R,5R)-6-{[(1S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-3-methyl-2-(methylamino)oxane-3,5-diol",CN[C@H]1OC(O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@H](C(C)O)[C@@H](O)[C@H](O)[C@H]3N)C2O)[C@H](O)C[C@@]1(C)O,"InChI=1S/C20H40N4O10/c1-6(25)14-12(28)11(27)10(23)18(31-14)33-16-8(22)4-7(21)15(13(16)29)32-17-9(26)5-20(2,30)19(24-3)34-17/h6-19,24-30H,4-5,21-23H2,1-3H3/t6?,7-,8+,9-,10-,11-,12+,13?,14-,15+,16-,17?,18-,19+,20-/m1/s1",LKWHFALDLMULPX-RXIUPRKYSA-N,C20H40N4O10,Not Found,496.558,-4.974775681,10,14,6,3,4K32 Leishmania ribosomal A sit RNA: 5'- [r(UUGCGUCGUUCCGGAAAAGUCGC)]-3',"Gentamicin C1A and G418 interact with bacterial A sites. Gentamicin work as 4,6-disubstituted. The obtained LC50 values for the 6?-NH2 derivatives i.e., gentamicin was higher than Neomycin B. Gentamycin is able to bind with leishmanial A site. It helps to inhibit the translation.",23898171,,,,,,"Shalev M, Kondo J, Kopelyanskiy D, Jaffe CL, Adir N, Baasov T. Identification of the molecular attributes required for aminoglycoside activity against Leishmania. Proc Natl Acad Sci U S A. 2013 Aug 13;110(33):13333-8. doi: 10.1073/pnas.1307365110. Epub 2013 Jul 29. PMID: 23898171; PMCID: PMC3746865.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23898171/,,,,,,Not Found,Yes,No,experimrntal,DB04263,https://go.drugbank.com/drugs/DB04263,This is the isomeric form of the drug approved by USFDA.
DBoRL1669,"Benzenamine, 4,4'-methylenebis[N-(2-pyridinylmethylene)-",1-(pyridin-2-yl)-N-{4-[(4-{[(pyridin-2-yl)methylidene]amino}phenyl)methyl]phenyl}methanimine,C(=Nc1ccc(Cc2ccc(N=Cc3ccccn3)cc2)cc1)c1ccccn1,"InChI=1S/C25H20N4/c1-3-15-26-24(5-1)18-28-22-11-7-20(8-12-22)17-21-9-13-23(14-10-21)29-19-25-6-2-4-16-27-25/h1-16,18-19H,17H2",OMZVNZJNZUGOJK-UHFFFAOYSA-N,C25H20N4,192586-42-8,376.463,6.727303032,0,4,6,4,RNA three-way junction,The compound is an anti-cancer drug that binds to the central cavity of an RNA three-way junction.,24039102,,,,,,"Phongtongpasuk S, Paulus S, Schnabl J, Sigel RK, Spingler B, Hannon MJ, Freisinger E. Binding of a designed anti-cancer drug to the central cavity of an RNA three-way junction. Angew Chem Int Ed Engl. 2013 Oct 25;52(44):11513-6. doi: 10.1002/anie.201305079. Epub 2013 Aug 23. PMID: 24039102.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24039102/,,,,,,2803136,No,No,,,,
DBoRL1670,13-phenylalkyl berberine analogs BC1,"21-benzyl-16,17-dimethoxy-5,7-dioxa-13??-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium",COC1=C(OC)C2=C[N+]3=C(C(CC4=CC=CC=C4)=C2C=C1)C1=CC2=C(OCO2)C=C1CC3,"InChI=1S/C27H24NO4/c1-29-23-9-8-19-21(12-17-6-4-3-5-7-17)26-20-14-25-24(31-16-32-25)13-18(20)10-11-28(26)15-22(19)27(23)30-2/h3-9,13-15H,10-12,16H2,1-2H3/q+1",RHYJSWUEYGGRFX-UHFFFAOYSA-N,C27H24NO4,Not Found,426.491,0.808481741,0,4,4,6,RNA triplex: poly(rA) 2poly(rU),"The compound is a 13-phenylalkyl analogue of berberine to stabilizes nucleic acid triplex structures, poly(rA).2poly(rU) and poly(dA) 2poly(dT). Berberine analogue bind to the RNA triplexes non-cooperatively. The analogue exhibit remarkably stronger intercalative binding compared to berberine to the triplexes. The analogue enhanced the stability of the Hoogsteen base paired third strand of both the triplexes while no significant change in the high-temperature duplex-to-single strand transitions was observed. The binding of the analogue is more entropy driven. In the analogue phenylalkyl substitution at the 13-position of berberine increased the triplex binding affinity of berberine but a threshold length of the side chain is critical for the strong intercalative binding to occur.",24184628,,,,,,"Bhowmik D, Buzzetti F, Fiorillo G, Lombardi P, Suresh Kumar G. Spectroscopic studies on the binding interaction of novel 13-phenylalkyl analogs of the natural alkaloid berberine to nucleic acid triplexes. Spectrochim Acta A Mol Biomol Spectrosc. 2014;120:257-64. doi: 10.1016/j.saa.2013.09.081. Epub 2013 Oct 7. PMID: 24184628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24184628/,,,,,,4676311,No,No,,,,
DBoRL1671,13-phenylalkyl berberine analogs BC2,"16,17-dimethoxy-21-(2-phenylethyl)-5,7-dioxa-13??-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium",COC1=C(OC)C2=C[N+]3=C(C(CCC4=CC=CC=C4)=C2C=C1)C1=CC2=C(OCO2)C=C1CC3,"InChI=1S/C28H26NO4/c1-30-24-11-10-20-21(9-8-18-6-4-3-5-7-18)27-22-15-26-25(32-17-33-26)14-19(22)12-13-29(27)16-23(20)28(24)31-2/h3-7,10-11,14-16H,8-9,12-13,17H2,1-2H3/q+1",NNDZSHJBTPRPCU-UHFFFAOYSA-N,C28H26NO4,Not Found,440.518,1.253050406,0,4,5,6,RNA triplex: poly(rA) 2poly(rU),"The compound is a 13-phenylalkyl analogue of berberine to stabilizes nucleic acid triplex structures, poly(rA).2poly(rU) and poly(dA) 2poly(dT). Berberine analogue bind to the RNA triplexes non-cooperatively. The analogue exhibit remarkably stronger intercalative binding compared to berberine to the triplexes. The analogue enhanced the stability of the Hoogsteen base paired third strand of both the triplexes while no significant change in the high-temperature duplex-to-single strand transitions was observed. The binding of the analogue is more entropy driven. In the analogue phenylalkyl substitution at the 13-position of berberine increased the triplex binding affinity of berberine but a threshold length of the side chain is critical for the strong intercalative binding to occur.",24184628,,,,,,"Bhowmik D, Buzzetti F, Fiorillo G, Lombardi P, Suresh Kumar G. Spectroscopic studies on the binding interaction of novel 13-phenylalkyl analogs of the natural alkaloid berberine to nucleic acid triplexes. Spectrochim Acta A Mol Biomol Spectrosc. 2014;120:257-64. doi: 10.1016/j.saa.2013.09.081. Epub 2013 Oct 7. PMID: 24184628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24184628/,,,,,,50898646,No,No,,,,
DBoRL1672,13-phenylalkyl berberine analogs BC3,"16,17-dimethoxy-21-(3-phenylpropyl)-5,7-dioxa-13??-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium",COC1=C(OC)C2=C[N+]3=C(C(CCCC4=CC=CC=C4)=C2C=C1)C1=CC2=C(OCO2)C=C1CC3,"InChI=1S/C29H28NO4/c1-31-25-12-11-21-22(10-6-9-19-7-4-3-5-8-19)28-23-16-27-26(33-18-34-27)15-20(23)13-14-30(28)17-24(21)29(25)32-2/h3-5,7-8,11-12,15-17H,6,9-10,13-14,18H2,1-2H3/q+1",DTCIWFGIDLHECN-UHFFFAOYSA-N,C29H28NO4,Not Found,454.545,1.697619071,0,4,6,6,RNA triplex: poly(rA) 2poly(rU),"The compound is a 13-phenylalkyl analogue of berberine to stabilizes nucleic acid triplex structures, poly(rA).2poly(rU) and poly(dA) 2poly(dT). Berberine analogue bind to the RNA triplexes non-cooperatively. The analogue exhibit remarkably stronger intercalative binding compared to berberine to the triplexes. The analogue enhanced the stability of the Hoogsteen base paired third strand of both the triplexes while no significant change in the high-temperature duplex-to-single strand transitions was observed. The binding of the analogue is more entropy driven. In the analogue phenylalkyl substitution at the 13-position of berberine increased the triplex binding affinity of berberine but a threshold length of the side chain is critical for the strong intercalative binding to occur.",24184628,,,,,,"Bhowmik D, Buzzetti F, Fiorillo G, Lombardi P, Suresh Kumar G. Spectroscopic studies on the binding interaction of novel 13-phenylalkyl analogs of the natural alkaloid berberine to nucleic acid triplexes. Spectrochim Acta A Mol Biomol Spectrosc. 2014;120:257-64. doi: 10.1016/j.saa.2013.09.081. Epub 2013 Oct 7. PMID: 24184628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24184628/,,,,,,49844340,No,No,,,,
DBoRL1673,13-phenylalkyl berberine analogs BC4,"16,17-dimethoxy-21-(4-phenylbutyl)-5,7-dioxa-13??-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium",COC1=C(OC)C2=C[N+]3=C(C(CCCCC4=CC=CC=C4)=C2C=C1)C1=CC2=C(OCO2)C=C1CC3,"InChI=1S/C30H30NO4/c1-32-26-13-12-22-23(11-7-6-10-20-8-4-3-5-9-20)29-24-17-28-27(34-19-35-28)16-21(24)14-15-31(29)18-25(22)30(26)33-2/h3-5,8-9,12-13,16-18H,6-7,10-11,14-15,19H2,1-2H3/q+1",HDTJDLMALGYYOP-UHFFFAOYSA-N,C30H30NO4,Not Found,468.572,2.142187736,0,4,7,6,RNA triplex: poly(rA) 2poly(rU),"The compound is a 13-phenylalkyl analogue of berberine to stabilizes nucleic acid triplex structures, poly(rA).2poly(rU) and poly(dA) 2poly(dT). Berberine analogue bind to the RNA triplexes non-cooperatively. The analogue exhibit remarkably stronger intercalative binding compared to berberine to the triplexes. The analogue enhanced the stability of the Hoogsteen base paired third strand of both the triplexes while no significant change in the high-temperature duplex-to-single strand transitions was observed. The binding of the analogue is more entropy driven. In the analogue phenylalkyl substitution at the 13-position of berberine increased the triplex binding affinity of berberine but a threshold length of the side chain is critical for the strong intercalative binding to occur.",24184628,,,,,,"Bhowmik D, Buzzetti F, Fiorillo G, Lombardi P, Suresh Kumar G. Spectroscopic studies on the binding interaction of novel 13-phenylalkyl analogs of the natural alkaloid berberine to nucleic acid triplexes. Spectrochim Acta A Mol Biomol Spectrosc. 2014;120:257-64. doi: 10.1016/j.saa.2013.09.081. Epub 2013 Oct 7. PMID: 24184628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24184628/,,,,,,101561595,No,No,,,,
DBoRL1674,13-phenylalkyl berberine analogs BC5,"16,17-dimethoxy-21-(5-phenylpentyl)-5,7-dioxa-13??-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium",COC1=C(OC)C2=C[N+]3=C(C(CCCCCC4=CC=CC=C4)=C2C=C1)C1=CC2=C(OCO2)C=C1CC3,"InChI=1S/C31H32NO4/c1-33-27-14-13-23-24(12-8-4-7-11-21-9-5-3-6-10-21)30-25-18-29-28(35-20-36-29)17-22(25)15-16-32(30)19-26(23)31(27)34-2/h3,5-6,9-10,13-14,17-19H,4,7-8,11-12,15-16,20H2,1-2H3/q+1",HMXMTJJRRIMVAW-UHFFFAOYSA-N,C31H32NO4,Not Found,482.599,2.586756401,0,4,8,6,RNA triplex: poly(rA) 2poly(rU),"The compound is a 13-phenylalkyl analogue of berberine to stabilizes nucleic acid triplex structures, poly(rA).2poly(rU) and poly(dA) 2poly(dT). Berberine analogue bind to the RNA triplexes non-cooperatively. The analogue exhibit remarkably stronger intercalative binding compared to berberine to the triplexes. The analogue enhanced the stability of the Hoogsteen base paired third strand of both the triplexes while no significant change in the high-temperature duplex-to-single strand transitions was observed. The binding of the analogue is more entropy driven. In the analogue phenylalkyl substitution at the 13-position of berberine increased the triplex binding affinity of berberine but a threshold length of the side chain is critical for the strong intercalative binding to occur.",24184628,,,,,,"Bhowmik D, Buzzetti F, Fiorillo G, Lombardi P, Suresh Kumar G. Spectroscopic studies on the binding interaction of novel 13-phenylalkyl analogs of the natural alkaloid berberine to nucleic acid triplexes. Spectrochim Acta A Mol Biomol Spectrosc. 2014;120:257-64. doi: 10.1016/j.saa.2013.09.081. Epub 2013 Oct 7. PMID: 24184628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24184628/,,,,,,101561597,No,No,,,,
DBoRL1675,13-phenylalkyl berberine analogs BC6,"16,17-dimethoxy-21-(6-phenylhexyl)-5,7-dioxa-13??-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium",COC1=C(OC)C2=C[N+]3=C(C(CCCCCCC4=CC=CC=C4)=C2C=C1)C1=CC2=C(OCO2)C=C1CC3,"InChI=1S/C32H34NO4/c1-34-28-15-14-24-25(13-9-4-3-6-10-22-11-7-5-8-12-22)31-26-19-30-29(36-21-37-30)18-23(26)16-17-33(31)20-27(24)32(28)35-2/h5,7-8,11-12,14-15,18-20H,3-4,6,9-10,13,16-17,21H2,1-2H3/q+1",KGDFUTSMVRIVLU-UHFFFAOYSA-N,C32H34NO4,Not Found,496.626,3.031325066,0,4,9,6,RNA triplex: poly(rA) 2poly(rU),"The compound is a 13-phenylalkyl analogue of berberine to stabilizes nucleic acid triplex structures, poly(rA).2poly(rU) and poly(dA) 2poly(dT). Berberine analogue bind to the RNA triplexes non-cooperatively. The analogue exhibit remarkably stronger intercalative binding compared to berberine to the triplexes. The analogue enhanced the stability of the Hoogsteen base paired third strand of both the triplexes while no significant change in the high-temperature duplex-to-single strand transitions was observed. The binding of the analogue is more entropy driven. In the analogue phenylalkyl substitution at the 13-position of berberine increased the triplex binding affinity of berberine but a threshold length of the side chain is critical for the strong intercalative binding to occur.",24184628,,,,,,"Bhowmik D, Buzzetti F, Fiorillo G, Lombardi P, Suresh Kumar G. Spectroscopic studies on the binding interaction of novel 13-phenylalkyl analogs of the natural alkaloid berberine to nucleic acid triplexes. Spectrochim Acta A Mol Biomol Spectrosc. 2014;120:257-64. doi: 10.1016/j.saa.2013.09.081. Epub 2013 Oct 7. PMID: 24184628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24184628/,,,,,,101561596,No,No,,,,
DBoRL1676,"13-Benzyl-9,10-dimethoxy-5,6-dihydrobenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium","21-benzyl-16,17-dimethoxy-5,7-dioxa-13??-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium",COc1ccc2c(Cc3ccccc3)c3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,"InChI=1S/C27H24NO4/c1-29-23-9-8-19-21(12-17-6-4-3-5-7-17)26-20-14-25-24(31-16-32-25)13-18(20)10-11-28(26)15-22(19)27(23)30-2/h3-9,13-15H,10-12,16H2,1-2H3/q+1",RHYJSWUEYGGRFX-UHFFFAOYSA-N,C27H24NO4,Not Found,426.491,0.808481741,0,4,4,6,RNA triplex,The compound non-cooperatively binds with RNA triplex and stabilize it.,24184628,,,,,,"Bhowmik D, Buzzetti F, Fiorillo G, Lombardi P, Suresh Kumar G. Spectroscopic studies on the binding interaction of novel 13-phenylalkyl analogs of the natural alkaloid berberine to nucleic acid triplexes. Spectrochim Acta A Mol Biomol Spectrosc. 2014;120:257-64. doi: 10.1016/j.saa.2013.09.081. Epub 2013 Oct 7. PMID: 24184628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24184628/,,,,,,4676311,No,No,,,,
DBoRL1677,"13-Phenethyl-9,10-dimethoxy-5,6-dihydrobenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium","16,17-dimethoxy-21-(2-phenylethyl)-5,7-dioxa-13??-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium",COc1ccc2c(CCc3ccccc3)c3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,"InChI=1S/C28H26NO4/c1-30-24-11-10-20-21(9-8-18-6-4-3-5-7-18)27-22-15-26-25(32-17-33-26)14-19(22)12-13-29(27)16-23(20)28(24)31-2/h3-7,10-11,14-16H,8-9,12-13,17H2,1-2H3/q+1",NNDZSHJBTPRPCU-UHFFFAOYSA-N,C28H26NO4,Not Found,440.518,1.253050406,0,4,5,6,RNA triplex,The compound non-cooperatively binds with RNA triplex and stabilize it.,24184628,,,,,,"Bhowmik D, Buzzetti F, Fiorillo G, Lombardi P, Suresh Kumar G. Spectroscopic studies on the binding interaction of novel 13-phenylalkyl analogs of the natural alkaloid berberine to nucleic acid triplexes. Spectrochim Acta A Mol Biomol Spectrosc. 2014;120:257-64. doi: 10.1016/j.saa.2013.09.081. Epub 2013 Oct 7. PMID: 24184628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24184628/,,,,,,50898646,No,No,,,,
DBoRL1678,"13-(3-Phenylpropyl)-9,10-dimethoxy-5,6-dihydrobenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium","16,17-dimethoxy-21-(3-phenylpropyl)-5,7-dioxa-13??-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium",COc1ccc2c(CCCc3ccccc3)c3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,"InChI=1S/C29H28NO4/c1-31-25-12-11-21-22(10-6-9-19-7-4-3-5-8-19)28-23-16-27-26(33-18-34-27)15-20(23)13-14-30(28)17-24(21)29(25)32-2/h3-5,7-8,11-12,15-17H,6,9-10,13-14,18H2,1-2H3/q+1",DTCIWFGIDLHECN-UHFFFAOYSA-N,C29H28NO4,Not Found,454.545,1.697619071,0,4,6,6,RNA triplex,The compound non-cooperatively binds with RNA triplex and stabilize it.,24184628,,,,,,"Bhowmik D, Buzzetti F, Fiorillo G, Lombardi P, Suresh Kumar G. Spectroscopic studies on the binding interaction of novel 13-phenylalkyl analogs of the natural alkaloid berberine to nucleic acid triplexes. Spectrochim Acta A Mol Biomol Spectrosc. 2014;120:257-64. doi: 10.1016/j.saa.2013.09.081. Epub 2013 Oct 7. PMID: 24184628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24184628/,,,,,,49844340,No,No,,,,
DBoRL1679,"13-(4-Phenylbutyl)-9,10-dimethoxy-5,6-dihydrobenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium","16,17-dimethoxy-21-(4-phenylbutyl)-5,7-dioxa-13??-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium",COc1ccc2c(CCCCc3ccccc3)c3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,"InChI=1S/C30H30NO4/c1-32-26-13-12-22-23(11-7-6-10-20-8-4-3-5-9-20)29-24-17-28-27(34-19-35-28)16-21(24)14-15-31(29)18-25(22)30(26)33-2/h3-5,8-9,12-13,16-18H,6-7,10-11,14-15,19H2,1-2H3/q+1",HDTJDLMALGYYOP-UHFFFAOYSA-N,C30H30NO4,Not Found,468.572,2.142187736,0,4,7,6,RNA triplex,The compound non-cooperatively binds with RNA triplex and stabilize it.,24184628,,,,,,"Bhowmik D, Buzzetti F, Fiorillo G, Lombardi P, Suresh Kumar G. Spectroscopic studies on the binding interaction of novel 13-phenylalkyl analogs of the natural alkaloid berberine to nucleic acid triplexes. Spectrochim Acta A Mol Biomol Spectrosc. 2014;120:257-64. doi: 10.1016/j.saa.2013.09.081. Epub 2013 Oct 7. PMID: 24184628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24184628/,,,,,,101561595,No,No,,,,
DBoRL1680,"13-(5-Phenylpentyl)-9,10-dimethoxy-5,6-dihydrobenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium","16,17-dimethoxy-21-(5-phenylpentyl)-5,7-dioxa-13??-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium",COc1ccc2c(CCCCCc3ccccc3)c3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,"InChI=1S/C31H32NO4/c1-33-27-14-13-23-24(12-8-4-7-11-21-9-5-3-6-10-21)30-25-18-29-28(35-20-36-29)17-22(25)15-16-32(30)19-26(23)31(27)34-2/h3,5-6,9-10,13-14,17-19H,4,7-8,11-12,15-16,20H2,1-2H3/q+1",HMXMTJJRRIMVAW-UHFFFAOYSA-N,C31H32NO4,Not Found,482.599,2.586756401,0,4,8,6,RNA triplex,The compound non-cooperatively binds with RNA triplex and stabilize it.,24184628,,,,,,"Bhowmik D, Buzzetti F, Fiorillo G, Lombardi P, Suresh Kumar G. Spectroscopic studies on the binding interaction of novel 13-phenylalkyl analogs of the natural alkaloid berberine to nucleic acid triplexes. Spectrochim Acta A Mol Biomol Spectrosc. 2014;120:257-64. doi: 10.1016/j.saa.2013.09.081. Epub 2013 Oct 7. PMID: 24184628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24184628/,,,,,,101561597,No,No,,,,
DBoRL1681,"13-(6-Phenylhexyl)-9,10-dimethoxy-5,6-dihydrobenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium","16,17-dimethoxy-21-(6-phenylhexyl)-5,7-dioxa-13??-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium",COc1ccc2c(CCCCCCc3ccccc3)c3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,"InChI=1S/C32H34NO4/c1-34-28-15-14-24-25(13-9-4-3-6-10-22-11-7-5-8-12-22)31-26-19-30-29(36-21-37-30)18-23(26)16-17-33(31)20-27(24)32(28)35-2/h5,7-8,11-12,14-15,18-20H,3-4,6,9-10,13,16-17,21H2,1-2H3/q+1",KGDFUTSMVRIVLU-UHFFFAOYSA-N,C32H34NO4,Not Found,496.626,3.031325066,0,4,9,6,RNA triplex,The compound non-cooperatively binds with RNA triplex and stabilize it.,24184628,,,,,,"Bhowmik D, Buzzetti F, Fiorillo G, Lombardi P, Suresh Kumar G. Spectroscopic studies on the binding interaction of novel 13-phenylalkyl analogs of the natural alkaloid berberine to nucleic acid triplexes. Spectrochim Acta A Mol Biomol Spectrosc. 2014;120:257-64. doi: 10.1016/j.saa.2013.09.081. Epub 2013 Oct 7. PMID: 24184628.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24184628/,,,,,,101561596,No,No,,,,
DBoRL1682,"6,7-Dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine","6,7-dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine",COc1cc2nc(N3CCNCC3)nc(N)c2cc1OC,"InChI=1S/C14H19N5O2/c1-20-11-7-9-10(8-12(11)21-2)17-14(18-13(9)15)19-5-3-16-4-6-19/h7-8,16H,3-6H2,1-2H3,(H2,15,17,18)",APKHJGDGWQDBGM-UHFFFAOYSA-N,C14H19N5O2,60547-97-9,289.339,1.126153105,2,7,3,3,influenza RNA,"6,7-Dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine binds to the influenza A virus RNA promoter and inhibits viral replication.",24247110,,,,,,"Lee MK, Bottini A, Kim M, Bardaro MF Jr, Zhang Z, Pellecchia M, Choi BS, Varani G. A novel small-molecule binds to the influenza A virus RNA promoter and inhibits viral replication. Chem Commun (Camb). 2014 Jan 11;50(3):368-70. doi: 10.1039/c3cc46973e. Epub 2013 Nov 18. Erratum in: Chem Commun (Camb). 2014 Oct 25;50(83):12578. PMID: 24247110; PMCID: PMC3894927.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24247110/,,,,,,616267,No,No,,,,
DBoRL1683,"Cationic porphyrin (5,10,15,20-tetra(N-methyl-4-pyridyl) porphyrin (TMPyP4)",N-(9-{[4-(dimethylamino)phenyl]amino}-6-[3-(pyrrolidin-1-yl)propanamido]acridin-3-yl)-3-(pyrrolidin-1-yl)propanamide,CN(C)C1=CC=C(NC2=C3C=CC(NC(=O)CCN4CCCC4)=CC3=NC3=CC(NC(=O)CCN4CCCC4)=CC=C23)C=C1,"InChI=1S/C35H43N7O2/c1-40(2)28-11-7-25(8-12-28)38-35-29-13-9-26(36-33(43)15-21-41-17-3-4-18-41)23-31(29)39-32-24-27(10-14-30(32)35)37-34(44)16-22-42-19-5-6-20-42/h7-14,23-24H,3-6,15-22H2,1-2H3,(H,36,43)(H,37,44)(H,38,39)",RKPYSYRMIXRZJT-UHFFFAOYSA-N,C35H43N7O2,351351-75-2,593.776,4.598235305,3,7,11,6,5'-[r(GGGGCC)8]-3',"Cationic porphyrin (5,10,15,20-tetra(N-methyl-4-pyridyl) porphyrin (TMPyP4) distorts RNA G-quadruplex structures of the Disease-associated r(GGGGCC)n repeat of the C9orf72 gene and blocks interaction of RNA-binding proteins.",24371143,,,,,,"Zamiri B, Reddy K, Macgregor RB Jr, Pearson CE. TMPyP4 porphyrin distorts RNA G-quadruplex structures of the disease-associated r(GGGGCC)n repeat of the C9orf72 gene and blocks interaction of RNA-binding proteins. J Biol Chem. 2014 Feb 21;289(8):4653-9. doi: 10.1074/jbc.C113.502336. Epub 2013 Dec 26. PMID: 24371143; PMCID: PMC3931028.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24371143/,,,,,,9808666,No,No,,,,
DBoRL1684,7-Carbaguanine,"2-amino-3H,4H,5H-pyrrolo[2,3-d]pyrimidin-4-one",Nc1nc2c(c(=O)[nH]1)CC=N2,"InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h2H,1H2,(H3,7,9,10,11)",LOSIULRWFAEMFL-UHFFFAOYSA-N,C6H6N4O,Not Found,150.141,-1.063604582,2,4,0,2,THF riboswitch,Binding of 7-carbaguanine cooperatively tetrahydrofolate (THF) riboswitch affects the folate transport and metabolism in a number of Firmicutes.,24388757,,,,,,"Trausch JJ, Batey RT. A disconnect between high-affinity binding and efficient regulation by antifolates and purines in the tetrahydrofolate riboswitch. Chem Biol. 2014 Feb 20;21(2):205-16. doi: 10.1016/j.chembiol.2013.11.012. Epub 2014 Jan 2. PMID: 24388757; PMCID: PMC3935398.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24388757/,,,,,,135497479,Yes,No,Experimental,DB02245,https://go.drugbank.com/drugs/DB02245,
DBoRL1685,Pemetrexed,"2-{[4-(2-{2-amino-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}pentanedioic acid",Nc1nc2[nH]cc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1,"InChI=1/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)",WBXPDJSOTKVWSJ-UHFFFAOYNA-N,C20H21N5O6,Not Found,427.417,0.430342459,6,8,9,3,THF riboswitch,Binding of pemetrexed cooperatively tetrahydrofolate (THF) riboswitch affects the folate transport and metabolism in a number of Firmicutes.,24388757,,,,,,"Trausch JJ, Batey RT. A disconnect between high-affinity binding and efficient regulation by antifolates and purines in the tetrahydrofolate riboswitch. Chem Biol. 2014 Feb 20;21(2):205-16. doi: 10.1016/j.chembiol.2013.11.012. Epub 2014 Jan 2. PMID: 24388757; PMCID: PMC3935398.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24388757/,,,,,,135469568,Yes,Yes,Investigational,DB00642,https://go.drugbank.com/drugs/DB00642,
DBoRL1686,Sapropterin,"2-amino-6-(1,2-dihydroxypropyl)-3,4,5,6,7,8-hexahydropteridin-4-one",CC(O)C(O)C1CNc2nc(N)[nH]c(=O)c2N1,"InChI=1/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)",FNKQXYHWGSIFBK-UHFFFAOYNA-N,C9H15N5O3,Not Found,241.251,-2.321126438,6,7,2,2,THF riboswitch,Binding of sapropterin cooperatively tetrahydrofolate (THF) riboswitch affects the folate transport and metabolism in a number of Firmicutes.,24388757,,,,,,"Trausch JJ, Batey RT. A disconnect between high-affinity binding and efficient regulation by antifolates and purines in the tetrahydrofolate riboswitch. Chem Biol. 2014 Feb 20;21(2):205-16. doi: 10.1016/j.chembiol.2013.11.012. Epub 2014 Jan 2. PMID: 24388757; PMCID: PMC3935398.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24388757/,,,,,,135402045,Yes,Yes,Investigational,DB00360,https://go.drugbank.com/drugs/DB00360,
DBoRL1687,Neomycin - Hoechst 33258 conjugate (NH1),"5-amino-2-(aminomethyl)-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-({[5-(4-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)pentyl]sulfanyl}methyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)oxane-3,4-diol",CN1CCN(CC1)C1=CC2=C(C=C1)N=C(N2)C1=CC2=C(C=C1)N=C(N2)C1=CC=C(OCCCCCSCC2OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C(O)C2OC2OC(CN)C(O)C(O)C2N)C=C1,"InChI=1/C53H78N12O13S/c1-64-13-15-65(16-14-64)27-8-12-32-34(20-27)63-50(61-32)26-7-11-31-33(19-26)62-49(60-31)25-5-9-28(10-6-25)72-17-3-2-4-18-79-24-37-47(77-52-39(59)44(70)42(68)36(23-55)74-52)45(71)53(75-37)78-48-40(66)29(56)21-30(57)46(48)76-51-38(58)43(69)41(67)35(22-54)73-51/h5-12,19-20,29-30,35-48,51-53,66-71H,2-4,13-18,21-24,54-59H2,1H3,(H,60,62)(H,61,63)",YXVZYMORKQTOFY-UHFFFAOYNA-N,C53H78N12O13S,Not Found,1123.34,-1.79332358,14,23,20,10,polyA polyU,Neomycin - Hoechst 33258 conjugate recognises RNA-duplex. Hoechst moiety of the conjugate binds to RNA duplex and as a consequence of neomycin binding in the RNA major groove. As a result of the binding thermal stability increase and RNA duplex structure become more stable.,24630691,,,,,,"Willis B, Arya DP. Recognition of RNA duplex by a neomycin-Hoechst 33258 conjugate. Bioorg Med Chem. 2014 Apr 1;22(7):2327-32. doi: 10.1016/j.bmc.2014.02.003. Epub 2014 Feb 18. PMID: 24630691.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24630691/,,,,,,Not Found,No,No,,,,
DBoRL1688,Neomycin - Hoechst 33258 conjugate (NH1),"5-amino-2-(aminomethyl)-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-({[5-(4-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)pentyl]sulfanyl}methyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)oxane-3,4-diol",CN1CCN(CC1)C1=CC2=C(C=C1)N=C(N2)C1=CC2=C(C=C1)N=C(N2)C1=CC=C(OCCCCCSCC2OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C(O)C2OC2OC(CN)C(O)C(O)C2N)C=C1,"InChI=1/C53H78N12O13S/c1-64-13-15-65(16-14-64)27-8-12-32-34(20-27)63-50(61-32)26-7-11-31-33(19-26)62-49(60-31)25-5-9-28(10-6-25)72-17-3-2-4-18-79-24-37-47(77-52-39(59)44(70)42(68)36(23-55)74-52)45(71)53(75-37)78-48-40(66)29(56)21-30(57)46(48)76-51-38(58)43(69)41(67)35(22-54)73-51/h5-12,19-20,29-30,35-48,51-53,66-71H,2-4,13-18,21-24,54-59H2,1H3,(H,60,62)(H,61,63)",YXVZYMORKQTOFY-UHFFFAOYNA-N,C53H78N12O13S,Not Found,1123.34,-1.79332358,14,23,20,10,5'-[r(CGCAAAUUUGCG)2]-3',Neomycin - Hoechst 33258 conjugate recognises RNA-duplex. Hoechst moiety of the conjugate binds to RNA duplex and as a consequence of neomycin binding in the RNA major groove. As a result of the binding thermal stability increase and RNA duplex structure become more stable.,24630691,,,,,,"Willis B, Arya DP. Recognition of RNA duplex by a neomycin-Hoechst 33258 conjugate. Bioorg Med Chem. 2014 Apr 1;22(7):2327-32. doi: 10.1016/j.bmc.2014.02.003. Epub 2014 Feb 18. PMID: 24630691.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24630691/,,,,,,Not Found,No,No,,,,
DBoRL1689,Neomycin - Hoechst 33258 conjugate (NH1),"5-amino-2-(aminomethyl)-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-({[5-(4-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)pentyl]sulfanyl}methyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)oxane-3,4-diol",CN1CCN(CC1)C1=CC2=C(C=C1)N=C(N2)C1=CC2=C(C=C1)N=C(N2)C1=CC=C(OCCCCCSCC2OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C(O)C2OC2OC(CN)C(O)C(O)C2N)C=C1,"InChI=1/C53H78N12O13S/c1-64-13-15-65(16-14-64)27-8-12-32-34(20-27)63-50(61-32)26-7-11-31-33(19-26)62-49(60-31)25-5-9-28(10-6-25)72-17-3-2-4-18-79-24-37-47(77-52-39(59)44(70)42(68)36(23-55)74-52)45(71)53(75-37)78-48-40(66)29(56)21-30(57)46(48)76-51-38(58)43(69)41(67)35(22-54)73-51/h5-12,19-20,29-30,35-48,51-53,66-71H,2-4,13-18,21-24,54-59H2,1H3,(H,60,62)(H,61,63)",YXVZYMORKQTOFY-UHFFFAOYNA-N,C53H78N12O13S,Not Found,1123.34,-1.79332358,14,23,20,10,5'-[r(CGCAAGCUUGCG)2]-3',Neomycin - Hoechst 33258 conjugate recognises RNA-duplex. Hoechst moiety of the conjugate binds to RNA duplex and as a consequence of neomycin binding in the RNA major groove. As a result of the binding thermal stability increase and RNA duplex structure become more stable.,24630691,,,,,,"Willis B, Arya DP. Recognition of RNA duplex by a neomycin-Hoechst 33258 conjugate. Bioorg Med Chem. 2014 Apr 1;22(7):2327-32. doi: 10.1016/j.bmc.2014.02.003. Epub 2014 Feb 18. PMID: 24630691.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24630691/,,,,,,Not Found,No,No,,,,
DBoRL1690,Neomycin - Hoechst 33258 conjugate,"5-amino-2-(aminomethyl)-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-({[5-(4-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)pentyl]sulfanyl}methyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)oxane-3,4-diol",CN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc(OCCCCCSCC7OC(OC8C(O)C(N)CC(N)C8OC8OC(CN)C(O)C(O)C8N)C(O)C7OC7OC(CN)C(O)C(O)C7N)cc6)[nH]c5c4)[nH]c3c2)CC1,"InChI=1/C53H78N12O13S/c1-64-13-15-65(16-14-64)27-8-12-32-34(20-27)63-50(61-32)26-7-11-31-33(19-26)62-49(60-31)25-5-9-28(10-6-25)72-17-3-2-4-18-79-24-37-47(77-52-39(59)44(70)42(68)36(23-55)74-52)45(71)53(75-37)78-48-40(66)29(56)21-30(57)46(48)76-51-38(58)43(69)41(67)35(22-54)73-51/h5-12,19-20,29-30,35-48,51-53,66-71H,2-4,13-18,21-24,54-59H2,1H3,(H,60,62)(H,61,63)",YXVZYMORKQTOFY-UHFFFAOYNA-N,C53H78N12O13S,Not Found,1123.34,-1.79332358,14,23,20,10,polyA polyU,Neomycin - Hoechst 33258 conjugate recognises RNA-duplex. Hoechst moiety of the conjugate binds to RNA duplex and as a consequence of neomycin binding in the RNA major groove. As a result of the binding thermal stability increase and RNA duplex structure become more stable.,24630691,,,,,,"Willis B, Arya DP. Recognition of RNA duplex by a neomycin-Hoechst 33258 conjugate. Bioorg Med Chem. 2014 Apr 1;22(7):2327-32. doi: 10.1016/j.bmc.2014.02.003. Epub 2014 Feb 18. PMID: 24630691.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24630691/,,,,,,Not Found,No,No,,,,
DBoRL1691,Pyridostatin,"4-(2-aminoethoxy)-N2,N6-bis[4-(2-aminoethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide",NCCOC1=CC(=NC(=C1)C(=O)NC1=CC(OCCN)=C2C=CC=CC2=N1)C(=O)NC1=NC2=C(C=CC=C2)C(OCCN)=C1,"InChI=1S/C31H32N8O5/c32-9-12-42-19-15-24(30(40)38-28-17-26(43-13-10-33)20-5-1-3-7-22(20)36-28)35-25(16-19)31(41)39-29-18-27(44-14-11-34)21-6-2-4-8-23(21)37-29/h1-8,15-18H,9-14,32-34H2,(H,36,38,40)(H,37,39,41)",VGHSATQVJCTKEF-UHFFFAOYSA-N,C31H32N8O5,1085412-37-8,596.648,2.351302799,5,11,13,5,,Pyridostatin binds with mRNA Gquadruplexes of Epstein-Barr virus-encoded nuclear antigen 1 (EBNA1) and regulate mRNA translation. ,24633353,,,,,,"Murat P, Zhong J, Lekieffre L, Cowieson NP, Clancy JL, Preiss T, Balasubramanian S, Khanna R, Tellam J. G-quadruplexes regulate Epstein-Barr virus-encoded nuclear antigen 1 mRNA translation. Nat Chem Biol. 2014 May;10(5):358-64. doi: 10.1038/nchembio.1479. Epub 2014 Mar 16. PMID: 24633353; PMCID: PMC4188979.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24633353/,,,,,,25227847,No,No,,,,
DBoRL1692,Pyridostatin,"4-(2-aminoethoxy)-N2,N6-bis[4-(2-aminoethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide",NCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1,"InChI=1S/C31H32N8O5/c32-9-12-42-19-15-24(30(40)38-28-17-26(43-13-10-33)20-5-1-3-7-22(20)36-28)35-25(16-19)31(41)39-29-18-27(44-14-11-34)21-6-2-4-8-23(21)37-29/h1-8,15-18H,9-14,32-34H2,(H,36,38,40)(H,37,39,41)",VGHSATQVJCTKEF-UHFFFAOYSA-N,C31H32N8O5,1085412-37-8,596.648,2.351302799,5,11,13,5,EBNA1 mRNA Gquadruplexes (EBNA1 =Epstein-Barr virus-encoded nuclear antigen 1),Pyridostatin binds with mRNA Gquadruplexes of Epstein-Barr virus-encoded nuclear antigen 1 (EBNA1) and regulate mRNA translation. ,24633353,,,,,,"Murat P, Zhong J, Lekieffre L, Cowieson NP, Clancy JL, Preiss T, Balasubramanian S, Khanna R, Tellam J. G-quadruplexes regulate Epstein-Barr virus-encoded nuclear antigen 1 mRNA translation. Nat Chem Biol. 2014 May;10(5):358-64. doi: 10.1038/nchembio.1479. Epub 2014 Mar 16. PMID: 24633353; PMCID: PMC4188979.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24633353/,,,,,,25227847,No,No,,,,
DBoRL1693,5-(Azidomethyl)-2-Methylpyrimidin-4-Amine,5-(azidomethyl)-2-methylpyrimidin-4-amine,Cc1ncc(CN=[N+]=[N-])c(N)n1,"InChI=1S/C6H8N6/c1-4-9-2-5(3-10-12-8)6(7)11-4/h2H,3H2,1H3,(H2,7,9,11)",HRZOZFYDZBEQQQ-UHFFFAOYSA-N,C6H8N6,63423-50-7,164.172,0.422161823,1,5,2,1,E. coli thiM riboswitch,The compound binds with E. coli thiM riboswitch & regulates the expression of essential genes in bacteria by changing conformation.,24768306,,,,,,"Warner KD, Homan P, Weeks KM, Smith AG, Abell C, Ferr?-D'Amar? AR. Validating fragment-based drug discovery for biological RNAs: lead fragments bind and remodel the TPP riboswitch specifically. Chem Biol. 2014 May 22;21(5):591-5. doi: 10.1016/j.chembiol.2014.03.007. Epub 2014 Apr 24. PMID: 24768306; PMCID: PMC4057041.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24768306/,,,,,,71372702,No,No,,,,
DBoRL1694,"1-[4-(1,2,3-Thiadiazol-4-Yl)phenyl]methanamine","1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine",NCc1ccc(-c2csnn2)cc1,"InChI=1S/C9H9N3S/c10-5-7-1-3-8(4-2-7)9-6-13-12-11-9/h1-4,6H,5,10H2",FWSCINFUBQNPJM-UHFFFAOYSA-N,C9H9N3S,175205-49-9,191.25,1.72082756,1,3,2,2,E. coli thiM riboswitch,The compound binds with E. coli thiM riboswitch & regulates the expression of essential genes in bacteria by changing conformation.,24768306,,,,,,"Warner KD, Homan P, Weeks KM, Smith AG, Abell C, Ferr?-D'Amar? AR. Validating fragment-based drug discovery for biological RNAs: lead fragments bind and remodel the TPP riboswitch specifically. Chem Biol. 2014 May 22;21(5):591-5. doi: 10.1016/j.chembiol.2014.03.007. Epub 2014 Apr 24. PMID: 24768306; PMCID: PMC4057041.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24768306/,,,,,,2737288,No,No,,,,
DBoRL1695,"Thieno[2,3-b]pyrazin-7-amine","thieno[2,3-b]pyrazin-7-amine",Nc1csc2nccnc12,"InChI=1S/C6H5N3S/c7-4-3-10-6-5(4)8-1-2-9-6/h1-3H,7H2",ZRVKSPNBHZCQKY-UHFFFAOYSA-N,C6H5N3S,59944-75-1,151.19,0.338312185,1,3,0,2,E. coli thiM riboswitch,The compound binds with E. coli thiM riboswitch & regulates the expression of essential genes in bacteria by changing conformation.,24768306,,,,,,"Warner KD, Homan P, Weeks KM, Smith AG, Abell C, Ferr?-D'Amar? AR. Validating fragment-based drug discovery for biological RNAs: lead fragments bind and remodel the TPP riboswitch specifically. Chem Biol. 2014 May 22;21(5):591-5. doi: 10.1016/j.chembiol.2014.03.007. Epub 2014 Apr 24. PMID: 24768306; PMCID: PMC4057041.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24768306/,,,,,,12299130,No,No,,,,
DBoRL1696,Thiamine,"3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium",Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1,"InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1",JZRWCGZRTZMZEH-UHFFFAOYSA-N,C12H17N4OS,70-16-6,265.35,-3.097412649,2,4,4,2,E. coli thiM riboswitch,"Thiamine pyrophosphate (TPP) riboswitches regulate essential genes in bacteria by changing conformation upon binding intracellular TPP. Thiamine is used for fragment-based drug discovery strategy for targeting biological RNAs. The fragment (i.e., lead fragment) specifically bind and remodel the TPP riboswitch. ",24768306,,,,,,"Warner KD, Homan P, Weeks KM, Smith AG, Abell C, Ferr?-D'Amar? AR. Validating fragment-based drug discovery for biological RNAs: lead fragments bind and remodel the TPP riboswitch specifically. Chem Biol. 2014;21(5):591-595. doi:10.1016/j.chembiol.2014.03.007",,,,,,https://pubmed.ncbi.nlm.nih.gov/24768306/,,,,,,1130,Yes,Yes,Investigational Nutraceutical Vet_approved,DB00152,https://go.drugbank.com/drugs/DB00152,
DBoRL1697,Formamide,formamide,NC=O,"InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)",ZHNUHDYFZUAESO-UHFFFAOYSA-N,CH3NO,"75-12-7,28704-51-0",45.041,-1.078987036,1,1,0,0,16mer GCAGNCUUAAGUCUGC,RNA aptamer has the ability to binds with formamide. ,24896732,,,,,,"Phelps KJ, Ibarra-Soza JM, Tran K, Fisher AJ, Beal PA. Click modification of RNA at adenosine: structure and reactivity of 7-ethynyl- and 7-triazolyl-8-aza-7-deazaadenosine in RNA. ACS Chem Biol. 2014 Aug 15;9(8):1780-7. doi: 10.1021/cb500270x. Epub 2014 Jun 16. PMID: 24896732; PMCID: PMC4136661.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24896732/,,,,,,713,No,No,,,,
DBoRL1698,Sisomicin,"2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diol",CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CN)=CCC3N)C2O)OCC1(C)O,"InChI=1/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3",URWAJWIAIPFPJE-UHFFFAOYNA-N,C19H37N5O7,Not Found,447.533,-4.318567551,8,12,6,3,Bacterial ribosomal decoding site,Sisomicin is an antibacterial compound that bind to the bacterial ribosomal decoding site.,24900542,,,,,,"Kondo J, Koganei M, Kasahara T. Crystal structure and specific binding mode of sisomicin to the bacterial ribosomal decoding site. ACS Med Chem Lett. 2012 Aug 2;3(9):741-4. doi: 10.1021/ml300145y. PMID: 24900542; PMCID: PMC4025859.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24900542/,,,,,,5224,Yes,No,Investigational,DB12604,https://go.drugbank.com/drugs/DB12604,
DBoRL1699,Emetine,"1-({3-ethyl-9,10-dimethoxy-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-yl}methyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline",CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1NCCc2cc(OC)c(OC)cc21,"InChI=1/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3",AUVVAXYIELKVAI-UHFFFAOYNA-N,C29H40N2O4,Not Found,480.649,4.488257155,1,6,7,5,Plasmodium falciparum 80S ribosome,Emetine is an anti-protozoan drug used in the treatment of ameobiasis that also displays potent anti-malarial activity. Emetine interacts with the E-site of the 80S ribosomal small subunit of Plasmodium falciparum and inhibit the translation process. ,24913268,,,,,,"Wong W, Bai XC, Brown A, Fernandez IS, Hanssen E, Condron M, Tan YH, Baum J, Scheres SH. Cryo-EM structure of the Plasmodium falciparum 80S ribosome bound to the anti-protozoan drug emetine. Elife. 2014 Jun 9;3:e03080. doi: 10.7554/eLife.03080. PMID: 24913268; PMCID: PMC4086275.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24913268/,,,,,,9426,Yes,No,Experimental,DB13393,https://go.drugbank.com/drugs/DB13393,
DBoRL1700,Oprea1_226556,"ethyl 2-({4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbonyl}amino)benzoate",CCOC(=O)c1ccccc1NC(=O)N1CCCN(Cc2csc(C)n2)CC1,"InChI=1S/C20H26N4O3S/c1-3-27-19(25)17-7-4-5-8-18(17)22-20(26)24-10-6-9-23(11-12-24)13-16-14-28-15(2)21-16/h4-5,7-8,14H,3,6,9-13H2,1-2H3,(H,22,26)",CBFHJMRYCIDMKO-UHFFFAOYSA-N,C20H26N4O3S,Not Found,402.51,2.829929536,1,4,6,3,SARS CoV Frameshifting Pseudoknot,Mode of action is not known.,24913268,,,,,,"Wong W, Bai XC, Brown A, Fernandez IS, Hanssen E, Condron M, Tan YH, Baum J, Scheres SH. Cryo-EM structure of the Plasmodium falciparum 80S ribosome bound to the anti-protozoan drug emetine. Elife. 2014 Jun 9;3:e03080. doi: 10.7554/eLife.03080. PMID: 24913268; PMCID: PMC4086275.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24913268/,,,,,,23850430,No,No,,,,
DBoRL1701,Clomifene,"{2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]ethyl}diethylamine",CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1,"InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3",GKIRPKYJQBWNGO-UHFFFAOYSA-N,C26H28ClNO,911-45-5,405.97,6.474937694,0,2,9,3,RRE SL-IIB,Mode of action is not known.,24913268,,,,,,"Wong W, Bai XC, Brown A, Fernandez IS, Hanssen E, Condron M, Tan YH, Baum J, Scheres SH. Cryo-EM structure of the Plasmodium falciparum 80S ribosome bound to the anti-protozoan drug emetine. Elife. 2014 Jun 9;3:e03080. doi: 10.7554/eLife.03080. PMID: 24913268; PMCID: PMC4086275.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24913268/,,,,,,2800,Yes,Yes,Investigational,DB00882,https://go.drugbank.com/drugs/DB00882,
DBoRL1702,Cyproheptadine,"1-methyl-4-{tricyclo[9.4.0.0?,?]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ylidene}piperidine",CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,"InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3",JJCFRYNCJDLXIK-UHFFFAOYSA-N,C21H21N,"129-03-3,41354-29-4",287.406,4.382841647,0,1,0,4,RRE SL-IIB,Mode of action is not known.,24913268,,,,,,"Wong W, Bai XC, Brown A, Fernandez IS, Hanssen E, Condron M, Tan YH, Baum J, Scheres SH. Cryo-EM structure of the Plasmodium falciparum 80S ribosome bound to the anti-protozoan drug emetine. Elife. 2014 Jun 9;3:e03080. doi: 10.7554/eLife.03080. PMID: 24913268; PMCID: PMC4086275.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24913268/,,,,,,2913,Yes,Yes,,DB00434,https://go.drugbank.com/drugs/DB00434,
DBoRL1703,TMPyP4 tetrachloride,"1-methyl-4-[7,12,17-tris(1-methylpyridin-1-ium-4-yl)-21,22,23,24-tetraazapentacyclo[16.2.1.1?,?.1?,??.1??,??]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]pyridin-1-ium",C[N+]1=CC=C(C=C1)C1=C2\C=CC(=N2)\C(=C2/N\C(\C=C2)=C(/C2=N/C(/C=C2)=C(\C2=CC=C\1N2)C1=CC=[N+](C)C=C1)C1=CC=[N+](C)C=C1)\C1=CC=[N+](C)C=C1,"InChI=1S/C44H37N8/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31/h5-28H,1-4H3,(H,45,46,47,48)/q+3/p+1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-",ABCGFHPGHXSVKI-LWQDQPMZSA-O,C44H38N8,Not Found,678.842,-9.423182477,2,2,4,9,5'-[r((TTAGGG)4TTA]-3,Counter ions of TMPyP4 binds with 5?-[r(TTAGGG)4TTA]-3? of human telomeric RNA G-quadruplexes and thermally stabilize the structure.,24939133,,,,,,"Bai LP, Liu J, Han L, Ho HM, Wang R, Jiang ZH. Mass spectrometric studies on effects of counter ions of TMPyP4 on binding to human telomeric DNA and RNA G-quadruplexes. Anal Bioanal Chem. 2014 Sep;406(22):5455-63. doi: 10.1007/s00216-014-7943-0. Epub 2014 Jun 18. PMID: 24939133; PMCID: PMC4141155.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24939133/,,,,,,4234,No,No,,,,
DBoRL1704,"2-Aminopyrimido[4,5-D]pyrimidin-4(3h)-One","2-amino-3H,4H-[1,3]diazino[4,5-d]pyrimidin-4-one",Nc1nc2ncncc2c(=O)[nH]1,"InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)1-8-2-9-4/h1-2H,(H3,7,8,9,10,11,12)",HHOGMIYMABYION-UHFFFAOYSA-N,C6H5N5O,89890-99-3,163.14,-0.831991196,2,5,0,2,"M6C"" riboswitch","The compound binds to M6C"" riboswitch & modulates either transcription or translation, to provide tunable activation or repression of target gene expression. The pairing of ligand i.e., the compound with riboswitch regulates physiologically important genes required for bacterial motility.",24971878,,,,,,"Robinson CJ, Vincent HA, Wu MC, Lowe PT, Dunstan MS, Leys D, Micklefield J. Modular riboswitch toolsets for synthetic genetic control in diverse bacterial species. J Am Chem Soc. 2014 Jul 30;136(30):10615-24. doi: 10.1021/ja502873j. Epub 2014 Jul 18. PMID: 24971878.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24971878/,,,,,,135566862,No,No,,,,
DBoRL1705," pyrimido[4,5-d]pyrimidine-2,4-diamine","[1,3]diazino[4,5-d]pyrimidine-2,4-diamine",Nc1nc(N)c2cncnc2n1,"InChI=1S/C6H6N6/c7-4-3-1-9-2-10-5(3)12-6(8)11-4/h1-2H,(H4,7,8,9,10,11,12)",CEXXKZCAMOMPLI-UHFFFAOYSA-N,C6H6N6,16357-81-6,162.156,-0.558051623,2,6,0,2,"M6C"" riboswitch","The compound binds to M6C"" riboswitch & modulates either transcription or translation, to provide tunable activation or repression of target gene expression. The pairing of ligand i.e., the compound with riboswitch regulates physiologically important genes required for bacterial motility.",24971878,,,,,,"Robinson CJ, Vincent HA, Wu MC, Lowe PT, Dunstan MS, Leys D, Micklefield J. Modular riboswitch toolsets for synthetic genetic control in diverse bacterial species. J Am Chem Soc. 2014 Jul 30;136(30):10615-24. doi: 10.1021/ja502873j. Epub 2014 Jul 18. PMID: 24971878.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24971878/,,,,,,13925348,No,No,,,,
DBoRL1706,"SJP (2R,3R)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino- 4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha- D-erythro-hexopyranosyl)oxy]-3-{[3-O-(2,6- diamino-2,3,4,6-tetradeoxy-beta-L-threo-hexopyranosyl)- beta-D-ribofuranosyl]oxy}-2-hydroxycyclohexyl]- 3-fluoro-2-hydroxybutanamide","(2R,3R)-4-amino-N-[(1R,2S,4R,5S)-5-amino-4-{[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4S)-4-{[(3R,6R)-3-amino-6-(aminomethyl)oxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide",NC[C@@H](F)[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)CC[C@H]2N)C(O[C@@H]2OC(CO)[C@@H](OC3O[C@@H](CN)CC[C@H]3N)[C@H]2O)[C@H]1O,"InChI=1S/C27H52FN7O11/c28-12(8-31)18(37)24(40)35-16-5-15(34)21(44-25-13(32)3-1-10(6-29)41-25)23(19(16)38)46-27-20(39)22(17(9-36)43-27)45-26-14(33)4-2-11(7-30)42-26/h10-23,25-27,36-39H,1-9,29-34H2,(H,35,40)/t10-,11+,12+,13+,14+,15-,16+,17?,18-,19-,20+,21+,22+,23?,25+,26?,27-/m0/s1",XWTWBGQMVSXRIE-ORTFNDDGSA-N,C27H52FN7O11,Not Found,669.749,-6.06186529,11,17,13,4,3WRU,Please Refer the Reference for MoA,25019242,,,,,,"Maianti JP, Kanazawa H, Dozzo P, Matias RD, Feeney LA, Armstrong ES, Hildebrandt DJ, Kane TR, Gliedt MJ, Goldblum AA, Linsell MS, Aggen JB, Kondo J, Hanessian S. Toxicity modulation, resistance enzyme evasion, and A-site X-ray structure of broad-spectrum antibacterial neomycin analogs. ACS Chem Biol. 2014 Sep 19;9(9):2067-73. doi: 10.1021/cb5003416. Epub 2014 Jul 14. PMID: 25019242.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25019242/,,,,,,Not Found,No,No,,,,
DBoRL1707,Q27465385,4-amino-N-(5-amino-4-{[3-amino-6-(aminomethyl)oxan-2-yl]oxy}-3-[(4-{[3-amino-6-(aminomethyl)oxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-2-hydroxycyclohexyl)-3-fluoro-2-hydroxybutanamide,NCC1CCC(N)C(OC2C(CO)OC(OC3C(O)C(NC(=O)C(O)C(F)CN)CC(N)C3OC3OC(CN)CCC3N)C2O)O1,"InChI=1/C27H52FN7O11/c28-12(8-31)18(37)24(40)35-16-5-15(34)21(44-25-13(32)3-1-10(6-29)41-25)23(19(16)38)46-27-20(39)22(17(9-36)43-27)45-26-14(33)4-2-11(7-30)42-26/h10-23,25-27,36-39H,1-9,29-34H2,(H,35,40)",XWTWBGQMVSXRIE-UHFFFAOYNA-N,C27H52FN7O11,Not Found,669.749,-6.06186529,11,17,13,4,bacterial ribosomal decoding site,The compound binds with bacterial ribosomal decoding site and interferes in decoding process of translation.,25019242,,,,,,"Maianti JP, Kanazawa H, Dozzo P, Matias RD, Feeney LA, Armstrong ES, Hildebrandt DJ, Kane TR, Gliedt MJ, Goldblum AA, Linsell MS, Aggen JB, Kondo J, Hanessian S. Toxicity modulation, resistance enzyme evasion, and A-site X-ray structure of broad-spectrum antibacterial neomycin analogs. ACS Chem Biol. 2014 Sep 19;9(9):2067-73. doi: 10.1021/cb5003416. Epub 2014 Jul 14. PMID: 25019242.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25019242/,,,,,,77951157,No,No,,,,
DBoRL1708,Dfhbi,"4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1,2-dimethyl-4,5-dihydro-1H-imidazol-5-one",CC1=NC(=Cc2cc(F)c(O)c(F)c2)C(=O)N1C,"InChI=1S/C12H10F2N2O2/c1-6-15-10(12(18)16(6)2)5-7-3-8(13)11(17)9(14)4-7/h3-5,17H,1-2H3",ZDDIJYXDUBFLID-UHFFFAOYSA-N,C12H10F2N2O2,Not Found,252.221,1.229224421,1,3,1,2,Spinach RNA aptamer,DFHBI has the ability to bind with chromophore binding site of Spinach RNA aptamer. ,25026079,,,,,,"Warner KD, Chen MC, Song W, Strack RL, Thorn A, Jaffrey SR, Ferr?-D'Amar? AR. Structural basis for activity of highly efficient RNA mimics of green fluorescent protein. Nat Struct Mol Biol. 2014 Aug;21(8):658-63. doi: 10.1038/nsmb.2865. Epub 2014 Jul 15. PMID: 25026079; PMCID: PMC4143336.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25026079/,,,,,,68788460,No,No,,,,
DBoRL1709,Cyclo-cdp,"{[6-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-2-hydroxy-2-oxo-tetrahydro-2H-2??-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}phosphonic acid",Nc1ccn(C2OC(COP(=O)(O)O)C3OP(=O)(O)OC32)c(=O)n1,"InChI=1/C9H13N3O10P2/c10-5-1-2-12(9(13)11-5)8-7-6(21-24(17,18)22-7)4(20-8)3-19-23(14,15)16/h1-2,4,6-8H,3H2,(H,17,18)(H2,10,11,13)(H2,14,15,16)",IZJNKZMLZILGRK-UHFFFAOYNA-N,C9H13N3O10P2,Not Found,385.162,-2.440027587,4,9,4,3,Spinach RNA aptamer,Mode of action is not known.,25026079,,,,,,"Warner KD, Chen MC, Song W, Strack RL, Thorn A, Jaffrey SR, Ferr?-D'Amar? AR. Structural basis for activity of highly efficient RNA mimics of green fluorescent protein. Nat Struct Mol Biol. 2014 Aug;21(8):658-63. doi: 10.1038/nsmb.2865. Epub 2014 Jul 15. PMID: 25026079; PMCID: PMC4143336.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25026079/,,,,,,3518808,No,No,,,,
DBoRL1710,Su 1a,"9-hydroxy-5,11-dimethyl-2-[2-(piperidin-1-yl)ethyl]-6H-2??-pyrido[4,3-b]carbazol-2-yl",CC1=C2C=C[N](CCN3CCCCC3)=CC2=C(C)C2=C1NC1=C2C=C(O)C=C1,"InChI=1S/C24H28N3O/c1-16-21-15-27(13-12-26-9-4-3-5-10-26)11-8-19(21)17(2)24-23(16)20-14-18(28)6-7-22(20)25-24/h6-8,11,14-15,25,28H,3-5,9-10,12-13H2,1-2H3",BOPYULVQWSTXEF-UHFFFAOYSA-N,C24H28N3O,Not Found,374.508,,0,0,3,5,r(GGGGCC)8,"A repeat expansion in C9ORF72 causes frontotemporal dementia and amyotrophic lateral sclerosis (c9FTD/ALS). RNA of the expanded repeat (r(GGGGCC)8) forms nuclear foci or undergoes repeat-associated non-ATG (RAN) translation, producing ??c9RAN proteins??. Su 1a has the capability to inhibit these potentially toxic events by bind with r(GGGGCC)8 followed by neutralization.",25132468,,,,,,"Su Z, Zhang Y, Gendron TF, Bauer PO, Chew J, Yang WY, Fostvedt E, Jansen-West K, Belzil VV, Desaro P, Johnston A, Overstreet K, Oh SY, Todd PK, Berry JD, Cudkowicz ME, Boeve BF, Dickson D, Floeter MK, Traynor BJ, Morelli C, Ratti A, Silani V, Rademakers R, Brown RH, Rothstein JD, Boylan KB, Petrucelli L, Disney MD. Discovery of a biomarker and lead small molecules to target r(GGGGCC)-associated defects in c9FTD/ALS. Neuron. 2014 Sep 3;83(5):1043-50. doi: 10.1016/j.neuron.2014.07.041. Epub 2014 Aug 14. Erratum in: Neuron. 2014 Oct 1;84(1):239. PMID: 25132468; PMCID: PMC4232217.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25132468/,,,,,,Not Found,No,No,,,,
DBoRL1711,Su 2,2-{4-[(4-carbamimidoylphenyl)amino]phenyl}-1H-indole-6-carboximidamide,NC(=N)C1=CC=C(NC2=CC=C(C=C2)C2=CC3=C(N2)C=C(C=C3)C(N)=N)C=C1,"InChI=1S/C22H20N6/c23-21(24)14-5-9-18(10-6-14)27-17-7-3-13(4-8-17)19-11-15-1-2-16(22(25)26)12-20(15)28-19/h1-12,27-28H,(H3,23,24)(H3,25,26)",TZRXNWCLKYWDNH-UHFFFAOYSA-N,C22H20N6,502139-01-7,368.444,2.920097019,6,5,5,4,r(GGGGCC)8,"A repeat expansion in C9ORF72 causes frontotemporal dementia and amyotrophic lateral sclerosis (c9FTD/ALS). RNA of the expanded repeat (r(GGGGCC)8) forms nuclear foci or undergoes repeat-associated non-ATG (RAN) translation, producing ??c9RAN proteins??. Su 1a has the capability to inhibit these potentially toxic events by bind with r(GGGGCC)8 followed by neutralization.",25132468,,,,,,"Su Z, Zhang Y, Gendron TF, Bauer PO, Chew J, Yang WY, Fostvedt E, Jansen-West K, Belzil VV, Desaro P, Johnston A, Overstreet K, Oh SY, Todd PK, Berry JD, Cudkowicz ME, Boeve BF, Dickson D, Floeter MK, Traynor BJ, Morelli C, Ratti A, Silani V, Rademakers R, Brown RH, Rothstein JD, Boylan KB, Petrucelli L, Disney MD. Discovery of a biomarker and lead small molecules to target r(GGGGCC)-associated defects in c9FTD/ALS. Neuron. 2014 Sep 3;83(5):1043-50. doi: 10.1016/j.neuron.2014.07.041. Epub 2014 Aug 14. Erratum in: Neuron. 2014 Oct 1;84(1):239. PMID: 25132468; PMCID: PMC4232217.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25132468/,,,,,,435840,No,No,,,,
DBoRL1712,Su 3,5-(5-amino-1H-indole-2-amido)-N-[2-(diethylamino)ethyl]-1H-indole-2-carboxamide,CCN(CC)CCNC(=O)C1=CC2=C(N1)C=CC(NC(=O)C1=CC3=C(N1)C=CC(N)=C3)=C2,"InChI=1S/C24H28N6O2/c1-3-30(4-2)10-9-26-23(31)21-14-16-12-18(6-8-20(16)28-21)27-24(32)22-13-15-11-17(25)5-7-19(15)29-22/h5-8,11-14,28-29H,3-4,9-10,25H2,1-2H3,(H,26,31)(H,27,32)",GWJAQCRMEGDZPA-UHFFFAOYSA-N,C24H28N6O2,Not Found,432.528,2.080307693,5,4,8,4,r(GGGGCC)8,"A repeat expansion in C9ORF72 causes frontotemporal dementia and amyotrophic lateral sclerosis (c9FTD/ALS). RNA of the expanded repeat (r(GGGGCC)8) forms nuclear foci or undergoes repeat-associated non-ATG (RAN) translation, producing ??c9RAN proteins??. Su 3 has the capability to inhibit these potentially toxic events by bind with r(GGGGCC)8 followed by neutralization.",25132468,,,,,,"Su Z, Zhang Y, Gendron TF, Bauer PO, Chew J, Yang WY, Fostvedt E, Jansen-West K, Belzil VV, Desaro P, Johnston A, Overstreet K, Oh SY, Todd PK, Berry JD, Cudkowicz ME, Boeve BF, Dickson D, Floeter MK, Traynor BJ, Morelli C, Ratti A, Silani V, Rademakers R, Brown RH, Rothstein JD, Boylan KB, Petrucelli L, Disney MD. Discovery of a biomarker and lead small molecules to target r(GGGGCC)-associated defects in c9FTD/ALS. Neuron. 2014 Sep 3;83(5):1043-50. doi: 10.1016/j.neuron.2014.07.041. Epub 2014 Aug 14. Erratum in: Neuron. 2014 Oct 1;84(1):239. PMID: 25132468; PMCID: PMC4232217.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25132468/,,,,,,395006,No,No,,,,
DBoRL1713,Cryptopleurine,"4,5,10-trimethoxy-16-azapentacyclo[12.8.0.0?,?.0?,??.0??,??]docosa-1(14),2(7),3,5,8(13),9,11-heptaene",COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CC1CCCCN1C3,"InChI=1/C24H27NO3/c1-26-16-7-8-17-19(11-16)21-13-24(28-3)23(27-2)12-20(21)18-10-15-6-4-5-9-25(15)14-22(17)18/h7-8,11-13,15H,4-6,9-10,14H2,1-3H3",RSHYSOGXGSUUIJ-UHFFFAOYNA-N,C24H27NO3,Not Found,377.484,4.370604007,0,4,3,5,Yeast 80S ribosome,"Cryptopleurine is an inhibitor, which is associated with messenger RNA and transfer RNA binding sites. Narciclasine bind with eukaryotic ribosome & for these translations interfere occurs.",25209664,,,,,,"Garreau de Loubresse N, Prokhorova I, Holtkamp W, Rodnina MV, Yusupova G, Yusupov M. Structural basis for the inhibition of the eukaryotic ribosome. Nature. 2014 Sep 25;513(7519):517-22. doi: 10.1038/nature13737. Epub 2014 Sep 10. PMID: 25209664.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25209664/,,,,,,3750957,No,No,,,,
DBoRL1714,Deoxynivalenol,"3',10'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0?,?]dodecan]-5'-en-4'-one",CC1=CC2OC3C(O)CC(C)(C34CO4)C2(CO)C(O)C1=O,"InChI=1/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3",LINOMUASTDIRTM-UHFFFAOYNA-N,C15H20O6,Not Found,296.319,-0.96869689,3,6,1,4,Yeast 80S ribosome,"Deoxynivalenol is an inhibitor, which is associated with messenger RNA and transfer RNA binding sites. Narciclasine bind with eukaryotic ribosome & for these translations interfere occurs.",25209664,,,,,,"Garreau de Loubresse N, Prokhorova I, Holtkamp W, Rodnina MV, Yusupova G, Yusupov M. Structural basis for the inhibition of the eukaryotic ribosome. Nature. 2014 Sep 25;513(7519):517-22. doi: 10.1038/nature13737. Epub 2014 Sep 10. PMID: 25209664.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25209664/,,,,,,430147,No,No,,,,
DBoRL1715,Homoharringtonine,"4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0?,?.0?,??.0??,??]icosa-1(20),4,13,15(19)-tetraen-3-yl 1-methyl 3-hydroxy-3-(4-hydroxy-4-methylpentyl)butanedioate",COC(=O)CC(O)(CCCC(C)(C)O)C(=O)OC1C(OC)=CC23CCCN2CCc2cc4c(cc2C13)OCO4,"InChI=1/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3",HYFHYPWGAURHIV-UHFFFAOYNA-N,C29H39NO9,Not Found,545.629,1.884670679,2,8,11,5,Yeast 80S ribosome,"Homoharringtonine is an inhibitor, which is associated with messenger RNA and transfer RNA binding sites. Narciclasine bind with eukaryotic ribosome & for these translations interfere occurs.",25209664,,,,,,"Garreau de Loubresse N, Prokhorova I, Holtkamp W, Rodnina MV, Yusupova G, Yusupov M. Structural basis for the inhibition of the eukaryotic ribosome. Nature. 2014 Sep 25;513(7519):517-22. doi: 10.1038/nature13737. Epub 2014 Sep 10. PMID: 25209664.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25209664/,,,,,,3628,Yes,Yes,Investigational,DB04865,https://go.drugbank.com/drugs/DB04865,
DBoRL1716,Lactimidomycin,"4-[2-hydroxy-5-methyl-7-(3-methyl-12-oxo-1-oxacyclododeca-4,6,10-trien-2-yl)-4-oxooct-6-en-1-yl]piperidine-2,6-dione",CC(=CC(C)C(=O)CC(O)CC1CC(=O)NC(=O)C1)C1OC(=O)C=CCCC=CC=CC1C,"InChI=1/C26H35NO6/c1-17-10-8-6-4-5-7-9-11-25(32)33-26(17)19(3)12-18(2)22(29)16-21(28)13-20-14-23(30)27-24(31)15-20/h4,6,8-12,17-18,20-21,26,28H,5,7,13-16H2,1-3H3,(H,27,30,31)",OYOKHBHOTQDIPM-UHFFFAOYNA-N,C26H35NO6,Not Found,457.567,3.295885235,2,5,7,2,Yeast 80S ribosome,"Lactimidomycin is an inhibitor, which is associated with messenger RNA and transfer RNA binding sites. Narciclasine bind with eukaryotic ribosome & for these translations interfere occurs. Lactimidomycin specifically targets the first elongation cycle",25209664,,,,,,"Garreau de Loubresse N, Prokhorova I, Holtkamp W, Rodnina MV, Yusupova G, Yusupov M. Structural basis for the inhibition of the eukaryotic ribosome. Nature. 2014 Sep 25;513(7519):517-22. doi: 10.1038/nature13737. Epub 2014 Sep 10. PMID: 25209664.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25209664/,,,,,,131825,No,No,,,,
DBoRL1717,Lycorine,"5,7-dioxa-12-azapentacyclo[10.6.1.0?,??.0?,?.0??,??]nonadeca-2,4(8),9,15-tetraene-17,18-diol",OC1C=C2CCN3Cc4cc5c(cc4C(C1O)C23)OCO5,"InChI=1/C16H17NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h3-5,11,14-16,18-19H,1-2,6-7H2",XGVJWXAYKUHDOO-UHFFFAOYNA-N,C16H17NO4,Not Found,287.315,0.16233381,2,5,0,5,Yeast 80S ribosome,"Lycorine is an inhibitor, which is associated with messenger RNA and transfer RNA binding sites. Narciclasine bind with eukaryotic ribosome & for these translations interfere occurs.",25209664,,,,,,"Garreau de Loubresse N, Prokhorova I, Holtkamp W, Rodnina MV, Yusupova G, Yusupov M. Structural basis for the inhibition of the eukaryotic ribosome. Nature. 2014 Sep 25;513(7519):517-22. doi: 10.1038/nature13737. Epub 2014 Sep 10. PMID: 25209664.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25209664/,,,,,,3978,No,No,,,,
DBoRL1718,Geneticin G418,"2-[(4,6-diamino-3-{[3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diol; sulfuric acid",CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(C(C)O)C(O)C(O)C3N)C2O)OCC1(C)O.O=S(=O)(O)O,"InChI=1/C20H40N4O10.H2O4S/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19;1-5(2,3)4/h6-19,24-30H,4-5,21-23H2,1-3H3;(H2,1,2,3,4)",QNQZPJLBGRQFDD-UHFFFAOYNA-N,C20H42N4O14S,Not Found,594.63,-5.30084642,10,14,6,3,Yeast 80S ribosome,"Lycorine is an inhibitor, which is associated with messenger RNA and transfer RNA binding sites. Narciclasine bind with eukaryotic ribosome & for these translations interfere occurs. Geneticin G418 specifically interact with decoding center.",25209664,,,,,,"Garreau de Loubresse N, Prokhorova I, Holtkamp W, Rodnina MV, Yusupova G, Yusupov M. Structural basis for the inhibition of the eukaryotic ribosome. Nature. 2014 Sep 25;513(7519):517-22. doi: 10.1038/nature13737. Epub 2014 Sep 10. PMID: 25209664.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25209664/,,,,,,354577,No,No,,,,
DBoRL1719,Nagilactone C,"5,10-dihydroxy-1,6-dimethyl-12-(propan-2-yl)-3,8,13-trioxapentacyclo[7.7.1.0?,?.0?,??.0??,??]heptadeca-11,15-diene-7,14-dione",CC(C)c1oc(=O)cc2c1C(O)C1OC(=O)C3(C)C(O)C4OC4C2(C)C13,"InChI=1/C19H22O7/c1-6(2)11-9-7(5-8(20)24-11)18(3)14-12(10(9)21)26-17(23)19(14,4)15(22)13-16(18)25-13/h5-6,10,12-16,21-22H,1-4H3",DGNOPGIIPQKNHD-UHFFFAOYNA-N,C19H22O7,Not Found,362.378,0.161182895,2,5,1,5,Yeast 80S ribosome,"Nagilactone C is an inhibitor, which is associated with messenger RNA and transfer RNA binding sites. Narciclasine bind with eukaryotic ribosome & for these translations interfere occurs.",25209664,,,,,,"Garreau de Loubresse N, Prokhorova I, Holtkamp W, Rodnina MV, Yusupova G, Yusupov M. Structural basis for the inhibition of the eukaryotic ribosome. Nature. 2014 Sep 25;513(7519):517-22. doi: 10.1038/nature13737. Epub 2014 Sep 10. PMID: 25209664.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25209664/,,,,,,319648,No,No,,,,
DBoRL1720,Narciclasine,"2,3,4,7-tetrahydroxy-2H,3H,4H,4aH,5H,6H,9H-[1,3]dioxolo[4,5-j]phenanthridin-6-one",O=C1NC2C(=CC(O)C(O)C2O)c2cc3c(c(O)c21)OCO3,"InChI=1/C14H13NO7/c16-6-1-5-4-2-7-13(22-3-21-7)11(18)8(4)14(20)15-9(5)12(19)10(6)17/h1-2,6,9-10,12,16-19H,3H2,(H,15,20)",LZAZURSABQIKGB-UHFFFAOYNA-N,C14H13NO7,Not Found,307.258,-0.915663942,5,7,0,4,Yeast 80S ribosome,"Narciclasine is an inhibitor, which is associated with messenger RNA and transfer RNA binding sites. Narciclasine bind with eukaryotic ribosome & for these translations interfere occurs.",25209664,,,,,,"Garreau de Loubresse N, Prokhorova I, Holtkamp W, Rodnina MV, Yusupova G, Yusupov M. Structural basis for the inhibition of the eukaryotic ribosome. Nature. 2014 Sep 25;513(7519):517-22. doi: 10.1038/nature13737. Epub 2014 Sep 10. PMID: 25209664.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25209664/,,,,,,619061,No,No,,,,
DBoRL1721,Phyllanthoside,"4-(acetyloxy)-3-{[4-(acetyloxy)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl 5-methyl-4-[(3-phenylprop-2-enoyl)oxy]-hexahydrodispiro[oxane-2,2'-[1]benzofuran-3',2''-oxirane]-6'-carboxylate",CC(=O)OC1C(O)C(C)OC(OC2C(OC(=O)C3CCC4C(C3)OC3(CC(OC(=O)C=Cc5ccccc5)C(C)CO3)C43CO3)OC(C)C(O)C2OC(C)=O)C1O,"InChI=1/C40H52O17/c1-19-17-48-40(16-28(19)54-29(43)14-11-24-9-7-6-8-10-24)39(18-49-39)26-13-12-25(15-27(26)57-40)36(47)56-38-35(34(53-23(5)42)31(45)21(3)51-38)55-37-32(46)33(52-22(4)41)30(44)20(2)50-37/h6-11,14,19-21,25-28,30-35,37-38,44-46H,12-13,15-18H2,1-5H3",VOTNXJVGRXZYOA-UHFFFAOYNA-N,C40H52O17,Not Found,804.839,2.892021616,3,13,13,7,Yeast 80S ribosome,"Phyllanthoside is an inhibitor, which is associated with messenger RNA and transfer RNA binding sites. Narciclasine bind with eukaryotic ribosome & for these translations interfere occurs.",25209664,,,,,,"Garreau de Loubresse N, Prokhorova I, Holtkamp W, Rodnina MV, Yusupova G, Yusupov M. Structural basis for the inhibition of the eukaryotic ribosome. Nature. 2014 Sep 25;513(7519):517-22. doi: 10.1038/nature13737. Epub 2014 Sep 10. PMID: 25209664.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25209664/,,,,,,332244,No,No,,,,
DBoRL1722,Verrucarin,"12'-hydroxy-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.0?,?.0?,??]heptacosane]-4',18',20'-triene-11',17',22'-trione",CC1=CC2OC3CC4OC(=O)C=CC=CC(=O)OCCC(C)C(O)C(=O)OCC2(CC1)C4(C)C31CO1,"InChI=1/C27H34O9/c1-16-8-10-26-14-33-24(31)23(30)17(2)9-11-32-21(28)6-4-5-7-22(29)36-18-13-20(35-19(26)12-16)27(15-34-27)25(18,26)3/h4-7,12,17-20,23,30H,8-11,13-15H2,1-3H3",NLUGUZJQJYVUHS-UHFFFAOYNA-N,C27H34O9,Not Found,502.56,2.5549806,1,6,0,5,Yeast 80S ribosome,"Verrucarin is an inhibitor, which is associated with messenger RNA and transfer RNA binding sites. Narciclasine bind with eukaryotic ribosome & for these translations interfere occurs.",25209664,,,,,,"Garreau de Loubresse N, Prokhorova I, Holtkamp W, Rodnina MV, Yusupova G, Yusupov M. Structural basis for the inhibition of the eukaryotic ribosome. Nature. 2014 Sep 25;513(7519):517-22. doi: 10.1038/nature13737. Epub 2014 Sep 10. PMID: 25209664.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25209664/,,,,,,104830,No,No,,,,
DBoRL1723,Lig1,N-{3-[(3-aminopropyl)(methyl)amino]propyl}benzamide,CN(CCCN)CCCNC(=O)c1ccccc1,"InChI=1S/C14H23N3O/c1-17(11-5-9-15)12-6-10-16-14(18)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12,15H2,1H3,(H,16,18)",LQXFNSSZVIAHHQ-UHFFFAOYSA-N,C14H23N3O,Not Found,249.358,0.389142368,2,3,8,1,RNA three way junction,Lig1 is used to recognises and stabilizes of nucleic acid junctions in RNA.,25257803,,,,,,"Barros SA, Chenoweth DM. Recognition of nucleic acid junctions using triptycene-based molecules. Angew Chem Int Ed Engl. 2014 Dec 8;53(50):13746-50. doi: 10.1002/anie.201407061. Epub 2014 Sep 24. PMID: 25257803; PMCID: PMC4265365.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25257803/,,,,,,126722618,No,No,,,,
DBoRL1724, Triptycene Derivative 1,"1-[12,17-bis(1,1-dihydroxyethyl)pentacyclo[6.6.6.0?,?.0?,??.0??,??]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl]ethane-1,1-diol",CC(O)(O)c1ccc2c(c1)C1c3cc(C(C)(O)O)ccc3C2c2ccc(C(C)(O)O)cc21,"InChI=1S/C26H26O6/c1-24(27,28)13-4-7-16-19(10-13)23-20-11-14(25(2,29)30)5-8-17(20)22(16)18-9-6-15(12-21(18)23)26(3,31)32/h4-12,22-23,27-32H,1-3H3",PFMQJSYGNXXHIK-UHFFFAOYSA-N,C26H26O6,Not Found,434.488,2.401455426,6,6,3,5,RNA three way junction,Triptycene derivative 1 is used to recognises and stabilizes of nucleic acid junctions in RNA.,25257803,,,,,,"Barros SA, Chenoweth DM. Recognition of nucleic acid junctions using triptycene-based molecules. Angew Chem Int Ed Engl. 2014 Dec 8;53(50):13746-50. doi: 10.1002/anie.201407061. Epub 2014 Sep 24. PMID: 25257803; PMCID: PMC4265365.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25257803/,,,,,,Not Found,No,No,,,,
DBoRL1725, Triptycene Derivative 2,"[12,17-bis(dihydroxymethyl)pentacyclo[6.6.6.0?,?.0?,??.0??,??]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-yl]methanediol",OC(O)c1ccc2c(c1)C1c3cc(C(O)O)ccc3C2c2ccc(C(O)O)cc21,"InChI=1S/C23H20O6/c24-21(25)10-1-4-13-16(7-10)20-17-8-11(22(26)27)2-5-14(17)19(13)15-6-3-12(23(28)29)9-18(15)20/h1-9,19-29H",CPABKCSIYRQLCE-UHFFFAOYSA-N,C23H20O6,Not Found,392.407,1.657267249,6,6,3,5,RNA three way junction,Triptycene derivative 2 is used to recognises and stabilizes of nucleic acid junctions in RNA.,25257803,,,,,,"Barros SA, Chenoweth DM. Recognition of nucleic acid junctions using triptycene-based molecules. Angew Chem Int Ed Engl. 2014 Dec 8;53(50):13746-50. doi: 10.1002/anie.201407061. Epub 2014 Sep 24. PMID: 25257803; PMCID: PMC4265365.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25257803/,,,,,,Not Found,No,No,,,,
DBoRL1726, Triptycene Derivative 3,"N4,N12,N17-tris({3-[(3-aminopropyl)(methyl)amino]propyl})pentacyclo[6.6.6.0?,?.0?,??.0??,??]icosa-2,4,6,9,11,13,15,17,19-nonaene-4,12,17-tricarboxamide",CN(CCCN)CCCNC(=O)c1ccc2c(c1)C1c3cc(C(=O)NCCCN(C)CCCN)ccc3C2c2ccc(C(=O)NCCCN(C)CCCN)cc21,"InChI=1S/C44H65N9O3/c1-51(22-4-16-45)25-7-19-48-42(54)31-10-13-34-37(28-31)41-38-29-32(43(55)49-20-8-26-52(2)23-5-17-46)11-14-35(38)40(34)36-15-12-33(30-39(36)41)44(56)50-21-9-27-53(3)24-6-18-47/h10-15,28-30,40-41H,4-9,16-27,45-47H2,1-3H3,(H,48,54)(H,49,55)(H,50,56)",MDGGNJCIOJJVOK-UHFFFAOYSA-N,C44H65N9O3,Not Found,768.064,0.299678031,6,9,24,5,RNA three way junction,Triptycene derivative 3 is used to recognises and stabilizes of nucleic acid junctions in RNA.,25257803,,,,,,"Barros SA, Chenoweth DM. Recognition of nucleic acid junctions using triptycene-based molecules. Angew Chem Int Ed Engl. 2014 Dec 8;53(50):13746-50. doi: 10.1002/anie.201407061. Epub 2014 Sep 24. PMID: 25257803; PMCID: PMC4265365.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25257803/,,,,,,101888937,No,No,,,,
DBoRL1727, Triptycene Derivative 4,"N4,N12,N17-tris[3-(dimethylamino)propyl]pentacyclo[6.6.6.0?,?.0?,??.0??,??]icosa-2,4,6,9,11,13,15,17,19-nonaene-4,12,17-tricarboxamide",CN(C)CCCNC(=O)c1ccc2c(c1)C1c3cc(C(=O)NCCCN(C)C)ccc3C2c2ccc(C(=O)NCCCN(C)C)cc21,"InChI=1S/C38H50N6O3/c1-42(2)19-7-16-39-36(45)25-10-13-28-31(22-25)35-32-23-26(37(46)40-17-8-20-43(3)4)11-14-29(32)34(28)30-15-12-27(24-33(30)35)38(47)41-18-9-21-44(5)6/h10-15,22-24,34-35H,7-9,16-21H2,1-6H3,(H,39,45)(H,40,46)(H,41,47)",HRTVDWDUWHTOEM-UHFFFAOYSA-N,C38H50N6O3,Not Found,638.857,2.51075024,3,6,15,5,RNA three way junction,Triptycene derivative 4 is used to recognises and stabilizes of nucleic acid junctions in RNA.,25257803,,,,,,"Barros SA, Chenoweth DM. Recognition of nucleic acid junctions using triptycene-based molecules. Angew Chem Int Ed Engl. 2014 Dec 8;53(50):13746-50. doi: 10.1002/anie.201407061. Epub 2014 Sep 24. PMID: 25257803; PMCID: PMC4265365.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25257803/,,,,,,Not Found,No,No,,,,
DBoRL1728,Chelerythrine,"17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2(10),3,8,11,14(19),15,17,20-nonaen-21-ium",COC1=CC=C2C(C=[N+](C)C3=C2C=CC2=C3C=C3OCOC3=C2)=C1OC,"InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1",LLEJIEBFSOEYIV-UHFFFAOYSA-N,C21H18NO4,34316-15-9,348.377,-0.882072641,0,4,2,5,5'-[r((UUAGGG)4UUA]-3',Chelerythrine (an antitumor agent) binds to human telomeric RNA G-quadruplexes. Chelerythrine selectively binds to and stabilizes the K1-form hybrid-type human telomeric RNA G-quadruplex.,25341562,,,,,,"Bai LP, Hagihara M, Nakatani K, Jiang ZH. Recognition of chelerythrine to human telomeric DNA and RNA G-quadruplexes. Sci Rep. 2014 Oct 24;4:6767. doi: 10.1038/srep06767. PMID: 25341562; PMCID: PMC4208030.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25341562/,,,,,,2703,No,No,,,,
DBoRL1729,Chelerythrine,"17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2(10),3,8,11,14(19),15,17,20-nonaen-21-ium",COc1ccc2c(c[n+](C)c3c4cc5c(cc4ccc23)OCO5)c1OC,"InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1",LLEJIEBFSOEYIV-UHFFFAOYSA-N,C21H18NO4,34316-15-9,348.377,-0.882072641,0,4,2,5,Human telomeric RNA: 5'-[r((UUAGGG)4UUA]-3',Chelerythrine (an antitumor agent) binds to human telomeric RNA G-quadruplexes. Chelerythrine selectively binds to and stabilizes the K1-form hybrid-type human telomeric RNA G-quadruplex.,25341562,,,,,,"Bai LP, Hagihara M, Nakatani K, Jiang ZH. Recognition of chelerythrine to human telomeric DNA and RNA G-quadruplexes. Sci Rep. 2014 Oct 24;4:6767. doi: 10.1038/srep06767. PMID: 25341562; PMCID: PMC4208030.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25341562/,,,,,,2703,No,No,,,,
DBoRL1730,Carboxypyridostatin (cPDS),"3-[4-({[2,6-bis({[4-(2-aminoethoxy)quinolin-2-yl]carbamoyl})pyridin-4-yl]oxy}methyl)-1H-1,2,3-triazol-1-yl]propanoic acid",NCCOC1=CC(NC(=O)C2=NC(=CC(OCC3=CN(CCC(O)=O)N=N3)=C2)C(=O)NC2=CC(OCCN)=C3C=CC=CC3=N2)=NC2=C1C=CC=C2,"InChI=1S/C35H34N10O7/c36-10-13-50-29-17-31(39-25-7-3-1-5-23(25)29)41-34(48)27-15-22(52-20-21-19-45(44-43-21)12-9-33(46)47)16-28(38-27)35(49)42-32-18-30(51-14-11-37)24-6-2-4-8-26(24)40-32/h1-8,15-19H,9-14,20,36-37H2,(H,46,47)(H,39,41,48)(H,40,42,49)",RJTDQPSVSXRGLT-UHFFFAOYSA-N,C35H34N10O7,1417638-60-8,706.72,0.151665918,5,14,16,6,5'-(UUA(GGGUUA)4)]-3',Carboxypyridostatin (cPDS) specifically binds with 5'-(UUA(GGGUUA)4)]-3? of human telomeric RNA and increase the thermodynamic stability.,25421962,,,,,,"Yangyuoru PM, Di Antonio M, Ghimire C, Biffi G, Balasubramanian S, Mao H. Dual binding of an antibody and a small molecule increases the stability of TERRA G-quadruplex. Angew Chem Int Ed Engl. 2015 Jan 12;54(3):910-3. doi: 10.1002/anie.201408113. Epub 2014 Nov 24. PMID: 25421962; PMCID: PMC4506565.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25421962/,,,,,,71768060,No,No,,,,
DBoRL1731,Carboxy-pyridostatin,"3-[4-({[2,6-bis({[4-(2-aminoethoxy)quinolin-2-yl]carbamoyl})pyridin-4-yl]oxy}methyl)-1H-1,2,3-triazol-1-yl]propanoic acid",NCCOc1cc(NC(=O)c2cc(OCc3cn(CCC(=O)O)nn3)cc(C(=O)Nc3cc(OCCN)c4ccccc4n3)n2)nc2ccccc12,"InChI=1S/C35H34N10O7/c36-10-13-50-29-17-31(39-25-7-3-1-5-23(25)29)41-34(48)27-15-22(52-20-21-19-45(44-43-21)12-9-33(46)47)16-28(38-27)35(49)42-32-18-30(51-14-11-37)24-6-2-4-8-26(24)40-32/h1-8,15-19H,9-14,20,36-37H2,(H,46,47)(H,39,41,48)(H,40,42,49)",RJTDQPSVSXRGLT-UHFFFAOYSA-N,C35H34N10O7,1417638-60-8,706.72,0.151665918,5,14,16,6,Human telomeric RNA: 5'-(UUA(GGGUUA)4)]-3',Carboxy-pyridostatin specifically binds with 5'-(UUA(GGGUUA)4)]-3? of human telomeric RNA and increase the thermodynamic stability.,25421962,,,,,,"Yangyuoru PM, Di Antonio M, Ghimire C, Biffi G, Balasubramanian S, Mao H. Dual binding of an antibody and a small molecule increases the stability of TERRA G-quadruplex. Angew Chem Int Ed Engl. 2015 Jan 12;54(3):910-3. doi: 10.1002/anie.201408113. Epub 2014 Nov 24. PMID: 25421962; PMCID: PMC4506565.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25421962/,,,,,,71768060,No,No,,,,
DBoRL1732,3V6 Bactobolin A ,"N-[(4R,4aR)-3-(dichloromethyl)-5,6,8-trihydroxy-3-methyl-1-oxo-3,4,4a,5,6,7-hexahydro-1H-2-benzopyran-4-yl]-2-aminopropanamide",CC(N)C(=O)N[C@@H]1[C@@H]2C(O)C(O)CC(O)=C2C(=O)OC1(C)C(Cl)Cl,"InChI=1S/C14H20Cl2N2O6/c1-4(17)11(22)18-10-8-7(5(19)3-6(20)9(8)21)12(23)24-14(10,2)13(15)16/h4,6,8-10,13,19-21H,3,17H2,1-2H3,(H,18,22)/t4?,6?,8-,9?,10+,14?/m0/s1",RBCHRRIVFAIGFI-MQOXAHCWSA-N,C14H20Cl2N2O6,Not Found,383.22,-1.353172791,5,6,3,2,4WWE 70S ribosome-tRNA complex,Bactobolin A binds to 70S ribosome?tRNA complex and interferes with translation process.,25562208,,,,,,"Amunts A, Fiedorczuk K, Truong TT, Chandler J, Greenberg EP, Ramakrishnan V. Bactobolin A binds to a site on the 70S ribosome distinct from previously seen antibiotics. J Mol Biol. 2015 Feb 27;427(4):753-755. doi: 10.1016/j.jmb.2014.12.018. Epub 2015 Jan 3. PMID: 25562208; PMCID: PMC4332689.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25562208/,,,,,,Not Found,No,No,,,,
DBoRL1733,Paromomycin,"(2R,3S,4R,5R,6S)-5-amino-6-{[(1R,3S,4R,6S)-4,6-diamino-2-{[(2S,3R,4S,5R)-4-{[(3R,4R,5S,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl]oxy}-2-(hydroxymethyl)oxane-3,4-diol",N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)C(O[C@@H]2O[C@H](CO)[C@@H](OC3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@H]2O)[C@H]1O,"InChI=1S/C23H44N4O15/c24-5-1-6(25)18(40-21-10(26)15(34)13(32)7(2-28)37-21)20(12(5)31)42-23-17(36)19(9(4-30)39-23)41-22-11(27)16(35)14(33)8(3-29)38-22/h5-23,28-36H,1-4,24-27H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20?,21-,22?,23+/m1/s1",VCHIDEKSPVNIGR-HLEUGBHXSA-N,C23H44N4O15,Not Found,616.618,-8.201414153,13,19,9,4,4WUS 70S ribosome-tRNA complex (mRNA tRNAfMet in the P site): 5'- [r(GGCAAGGAGGUAAAAAUGUUCAAA)]-3',Mode of action is not known.,25562208,,,,,,"Amunts A, Fiedorczuk K, Truong TT, Chandler J, Greenberg EP, Ramakrishnan V. Bactobolin A binds to a site on the 70S ribosome distinct from previously seen antibiotics. J Mol Biol. 2015 Feb 27;427(4):753-755. doi: 10.1016/j.jmb.2014.12.018. Epub 2015 Jan 3. PMID: 25562208; PMCID: PMC4332689.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25562208/,,,,,,Not Found,No,No,,,,
DBoRL1734,Influenza A Ligand 2,"1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]propan-1-one",CCC(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1,"InChI=1S/C17H23N5O3/c1-4-15(23)21-5-7-22(8-6-21)17-19-12-10-14(25-3)13(24-2)9-11(12)16(18)20-17/h9-10H,4-8H2,1-3H3,(H2,18,19,20)",NRTSKRXJOMGJLS-UHFFFAOYSA-N,C17H23N5O3,Not Found,345.403,1.436631227,1,7,4,3,nfluenza A Virus RNA Promoter,"RNA Promoter binding by the viral RNA polymerase and formation of an active open complex are prerequisites for viral replication and proliferation. The compound i.e., the ligand targets the Influenza A virus RNA promoter because the influenza A RNA promoter is universally conserved among influenza A virus strains, making it potentially an ideal drug target for novel antiviral agents. Once the compound bind with Influenza A virus RNA promoter, the virus become unable to replicate and proliferate.",25676805,,,,,,"Bottini A, De SK, Wu B, Tang C, Varani G, Pellecchia M. Targeting Influenza A Virus RNA Promoter. Chem Biol Drug Des. 2015 Oct;86(4):663-73. doi: 10.1111/cbdd.12534. Epub 2015 Mar 13. PMID: 25676805; PMCID: PMC4531110.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25676805/,,,,,,129849808,No,No,,,,
DBoRL1735,Influenza A Ligand 3,"1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]butan-1-one",CCCC(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1,"InChI=1S/C18H25N5O3/c1-4-5-16(24)22-6-8-23(9-7-22)18-20-13-11-15(26-3)14(25-2)10-12(13)17(19)21-18/h10-11H,4-9H2,1-3H3,(H2,19,20,21)",PSXGCXFMZBZSKZ-UHFFFAOYSA-N,C18H25N5O3,Not Found,359.43,1.881199892,1,7,5,3,Influenza A Virus RNA Promoter,"RNA Promoter binding by the viral RNA polymerase and formation of an active open complex are prerequisites for viral replication and proliferation. The compound i.e., the ligand targets the Influenza A virus RNA promoter because the influenza A RNA promoter is universally conserved among influenza A virus strains, making it potentially an ideal drug target for novel antiviral agents. Once the compound bind with Influenza A virus RNA promoter, the virus become unable to replicate and proliferate.",25676805,,,,,,"Bottini A, De SK, Wu B, Tang C, Varani G, Pellecchia M. Targeting Influenza A Virus RNA Promoter. Chem Biol Drug Des. 2015 Oct;86(4):663-73. doi: 10.1111/cbdd.12534. Epub 2015 Mar 13. PMID: 25676805; PMCID: PMC4531110.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25676805/,,,,,,2794187,No,No,,,,
DBoRL1736,Influenza A Ligand 4,"1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-methylpropan-1-one",COc1cc2nc(N3CCN(C(=O)C(C)C)CC3)nc(N)c2cc1OC,"InChI=1S/C18H25N5O3/c1-11(2)17(24)22-5-7-23(8-6-22)18-20-13-10-15(26-4)14(25-3)9-12(13)16(19)21-18/h9-11H,5-8H2,1-4H3,(H2,19,20,21)",BTIFMWIWSLFGGT-UHFFFAOYSA-N,C18H25N5O3,Not Found,359.43,1.979617506,1,7,4,3,Influenza A Virus RNA Promoter,"RNA Promoter binding by the viral RNA polymerase and formation of an active open complex are prerequisites for viral replication and proliferation. The compound i.e., the ligand targets the Influenza A virus RNA promoter because the influenza A RNA promoter is universally conserved among influenza A virus strains, making it potentially an ideal drug target for novel antiviral agents. Once the compound bind with Influenza A virus RNA promoter, the virus become unable to replicate and proliferate.",25676805,,,,,,"Bottini A, De SK, Wu B, Tang C, Varani G, Pellecchia M. Targeting Influenza A Virus RNA Promoter. Chem Biol Drug Des. 2015 Oct;86(4):663-73. doi: 10.1111/cbdd.12534. Epub 2015 Mar 13. PMID: 25676805; PMCID: PMC4531110.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25676805/,,,,,,154993081,No,No,,,,
DBoRL1737,Influenza A Ligand 5,"2-(4-cyclopropanecarbonylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine",COc1cc2nc(N3CCN(C(=O)C4CC4)CC3)nc(N)c2cc1OC,"InChI=1S/C18H23N5O3/c1-25-14-9-12-13(10-15(14)26-2)20-18(21-16(12)19)23-7-5-22(6-8-23)17(24)11-3-4-11/h9-11H,3-8H2,1-2H3,(H2,19,20,21)",PQAOBJDQAFJTBT-UHFFFAOYSA-N,C18H23N5O3,Not Found,357.414,1.515891603,1,7,4,4,Influenza A Virus RNA Promoter,"RNA Promoter binding by the viral RNA polymerase and formation of an active open complex are prerequisites for viral replication and proliferation. The compound i.e., the ligand targets the Influenza A virus RNA promoter because the influenza A RNA promoter is universally conserved among influenza A virus strains, making it potentially an ideal drug target for novel antiviral agents. Once the compound bind with Influenza A virus RNA promoter, the virus become unable to replicate and proliferate.",25676805,,,,,,"Bottini A, De SK, Wu B, Tang C, Varani G, Pellecchia M. Targeting Influenza A Virus RNA Promoter. Chem Biol Drug Des. 2015 Oct;86(4):663-73. doi: 10.1111/cbdd.12534. Epub 2015 Mar 13. PMID: 25676805; PMCID: PMC4531110.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25676805/,,,,,,20473772,No,No,,,,
DBoRL1738,Influenza A Ligand 6,"2-amino-N-[({2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-oxoethyl}carbamoyl)methyl]acetamide",COc1cc2nc(N3CCN(C(=O)CNC(=O)CNC(=O)CN)CC3)nc(N)c2cc1OC,"InChI=1S/C20H28N8O5/c1-32-14-7-12-13(8-15(14)33-2)25-20(26-19(12)22)28-5-3-27(4-6-28)18(31)11-24-17(30)10-23-16(29)9-21/h7-8H,3-6,9-11,21H2,1-2H3,(H,23,29)(H,24,30)(H2,22,25,26)",AOQOXNRSQJCLLS-UHFFFAOYSA-N,C20H28N8O5,Not Found,460.495,-2.398600942,4,10,8,3,Influenza A Virus RNA Promoter,"RNA Promoter binding by the viral RNA polymerase and formation of an active open complex are prerequisites for viral replication and proliferation. The compound i.e., the ligand targets the Influenza A virus RNA promoter because the influenza A RNA promoter is universally conserved among influenza A virus strains, making it potentially an ideal drug target for novel antiviral agents. Once the compound bind with Influenza A virus RNA promoter, the virus become unable to replicate and proliferate.",25676805,,,,,,"Bottini A, De SK, Wu B, Tang C, Varani G, Pellecchia M. Targeting Influenza A Virus RNA Promoter. Chem Biol Drug Des. 2015 Oct;86(4):663-73. doi: 10.1111/cbdd.12534. Epub 2015 Mar 13. PMID: 25676805; PMCID: PMC4531110.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25676805/,,,,,,Not Found,No,No,,,,
DBoRL1739,Influenza A Ligand 7,"5-amino-1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]pentan-1-one",COc1cc2nc(N3CCN(C(=O)CCCCN)CC3)nc(N)c2cc1OC,"InChI=1S/C19H28N6O3/c1-27-15-11-13-14(12-16(15)28-2)22-19(23-18(13)21)25-9-7-24(8-10-25)17(26)5-3-4-6-20/h11-12H,3-10,20H2,1-2H3,(H2,21,22,23)",FXZJVILAZKIIEO-UHFFFAOYSA-N,C19H28N6O3,Not Found,388.472,0.782208144,2,8,7,3,Influenza A Virus RNA Promoter,"RNA Promoter binding by the viral RNA polymerase and formation of an active open complex are prerequisites for viral replication and proliferation. The compound i.e., the ligand targets the Influenza A virus RNA promoter because the influenza A RNA promoter is universally conserved among influenza A virus strains, making it potentially an ideal drug target for novel antiviral agents. Once the compound bind with Influenza A virus RNA promoter, the virus become unable to replicate and proliferate.",25676805,,,,,,"Bottini A, De SK, Wu B, Tang C, Varani G, Pellecchia M. Targeting Influenza A Virus RNA Promoter. Chem Biol Drug Des. 2015 Oct;86(4):663-73. doi: 10.1111/cbdd.12534. Epub 2015 Mar 13. PMID: 25676805; PMCID: PMC4531110.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25676805/,,,,,,Not Found,No,No,,,,
DBoRL1740,Influenza A Ligand 8,"2-(4-methanesulfonylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine",COc1cc2nc(N3CCN(S(C)(=O)=O)CC3)nc(N)c2cc1OC,"InChI=1S/C15H21N5O4S/c1-23-12-8-10-11(9-13(12)24-2)17-15(18-14(10)16)19-4-6-20(7-5-19)25(3,21)22/h8-9H,4-7H2,1-3H3,(H2,16,17,18)",KXYLGVYCBLMFQO-UHFFFAOYSA-N,C15H21N5O4S,Not Found,367.42,0.231134192,1,8,3,3,Influenza A Virus RNA Promoter,"RNA Promoter binding by the viral RNA polymerase and formation of an active open complex are prerequisites for viral replication and proliferation. The compound i.e., the ligand targets the Influenza A virus RNA promoter because the influenza A RNA promoter is universally conserved among influenza A virus strains, making it potentially an ideal drug target for novel antiviral agents. Once the compound bind with Influenza A virus RNA promoter, the virus become unable to replicate and proliferate.",25676805,,,,,,"Bottini A, De SK, Wu B, Tang C, Varani G, Pellecchia M. Targeting Influenza A Virus RNA Promoter. Chem Biol Drug Des. 2015 Oct;86(4):663-73. doi: 10.1111/cbdd.12534. Epub 2015 Mar 13. PMID: 25676805; PMCID: PMC4531110.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25676805/,,,,,,3631941,No,No,,,,
DBoRL1741,Influenza A Ligand 9,"1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-hydroxypropan-1-one",COc1cc2nc(N3CCN(C(=O)CCO)CC3)nc(N)c2cc1OC,"InChI=1S/C17H23N5O4/c1-25-13-9-11-12(10-14(13)26-2)19-17(20-16(11)18)22-6-4-21(5-7-22)15(24)3-8-23/h9-10,23H,3-8H2,1-2H3,(H2,18,19,20)",MBALXCNHUKCSRB-UHFFFAOYSA-N,C17H23N5O4,Not Found,361.402,0.155860071,2,8,5,3,Influenza A Virus RNA Promoter,"RNA Promoter binding by the viral RNA polymerase and formation of an active open complex are prerequisites for viral replication and proliferation. The compound i.e., the ligand targets the Influenza A virus RNA promoter because the influenza A RNA promoter is universally conserved among influenza A virus strains, making it potentially an ideal drug target for novel antiviral agents. Once the compound bind with Influenza A virus RNA promoter, the virus become unable to replicate and proliferate.",25676805,,,,,,"Bottini A, De SK, Wu B, Tang C, Varani G, Pellecchia M. Targeting Influenza A Virus RNA Promoter. Chem Biol Drug Des. 2015 Oct;86(4):663-73. doi: 10.1111/cbdd.12534. Epub 2015 Mar 13. PMID: 25676805; PMCID: PMC4531110.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25676805/,,,,,,Not Found,No,No,,,,
DBoRL1742,Influenza A Ligand 10,"1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-methoxypropan-1-one",COc1cc2nc(N3CCN(C(=O)C(C)OC)CC3)nc(N)c2cc1OC,"InChI=1/C18H25N5O4/c1-11(25-2)17(24)22-5-7-23(8-6-22)18-20-13-10-15(27-4)14(26-3)9-12(13)16(19)21-18/h9-11H,5-8H2,1-4H3,(H2,19,20,21)",YEOTYALSMRNXLJ-UHFFFAOYNA-N,C18H25N5O4,Not Found,375.429,1.13073808,1,8,5,3,Influenza A Virus RNA Promoter,"RNA Promoter binding by the viral RNA polymerase and formation of an active open complex are prerequisites for viral replication and proliferation. The compound i.e., the ligand targets the Influenza A virus RNA promoter because the influenza A RNA promoter is universally conserved among influenza A virus strains, making it potentially an ideal drug target for novel antiviral agents. Once the compound bind with Influenza A virus RNA promoter, the virus become unable to replicate and proliferate.",25676805,,,,,,"Bottini A, De SK, Wu B, Tang C, Varani G, Pellecchia M. Targeting Influenza A Virus RNA Promoter. Chem Biol Drug Des. 2015 Oct;86(4):663-73. doi: 10.1111/cbdd.12534. Epub 2015 Mar 13. PMID: 25676805; PMCID: PMC4531110.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25676805/,,,,,,93514,No,No,,,,
DBoRL1743,Influenza A Ligand 11,"2-[4-(furan-2-carbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine",COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC,"InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)",IENZQIKPVFGBNW-UHFFFAOYSA-N,C19H21N5O4,19216-56-9,383.408,1.650516463,1,7,4,4,Influenza A Virus RNA Promoter,"RNA Promoter binding by the viral RNA polymerase and formation of an active open complex are prerequisites for viral replication and proliferation. The compound i.e., the ligand targets the Influenza A virus RNA promoter because the influenza A RNA promoter is universally conserved among influenza A virus strains, making it potentially an ideal drug target for novel antiviral agents. Once the compound bind with Influenza A virus RNA promoter, the virus become unable to replicate and proliferate.",25676805,,,,,,"Bottini A, De SK, Wu B, Tang C, Varani G, Pellecchia M. Targeting Influenza A Virus RNA Promoter. Chem Biol Drug Des. 2015 Oct;86(4):663-73. doi: 10.1111/cbdd.12534. Epub 2015 Mar 13. PMID: 25676805; PMCID: PMC4531110.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25676805/,,,,,,4893,Yes,Yes,,DB00457,https://go.drugbank.com/drugs/DB00457,
DBoRL1744,Influenza A Ligand 12,"6,7-dimethoxy-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinazolin-4-amine",COc1cc2nc(N3CCN(C(=O)c4cccs4)CC3)nc(N)c2cc1OC,"InChI=1S/C19H21N5O3S/c1-26-14-10-12-13(11-15(14)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)16-4-3-9-28-16/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)",UPAUPEZHEAXKMN-UHFFFAOYSA-N,C19H21N5O3S,Not Found,399.47,2.503151192,1,7,4,4,Influenza A Virus RNA Promoter,"RNA Promoter binding by the viral RNA polymerase and formation of an active open complex are prerequisites for viral replication and proliferation. The compound i.e., the ligand targets the Influenza A virus RNA promoter because the influenza A RNA promoter is universally conserved among influenza A virus strains, making it potentially an ideal drug target for novel antiviral agents. Once the compound bind with Influenza A virus RNA promoter, the virus become unable to replicate and proliferate.",25676805,,,,,,"Bottini A, De SK, Wu B, Tang C, Varani G, Pellecchia M. Targeting Influenza A Virus RNA Promoter. Chem Biol Drug Des. 2015 Oct;86(4):663-73. doi: 10.1111/cbdd.12534. Epub 2015 Mar 13. PMID: 25676805; PMCID: PMC4531110.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25676805/,,,,,,21393370,No,No,,,,
DBoRL1745,Influenza A Ligand 13,"1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]ethan-1-one",COc1cc2nc(N3CCN(C(C)=O)CC3)nc(N)c2cc1OC,"InChI=1S/C16H21N5O3/c1-10(22)20-4-6-21(7-5-20)16-18-12-9-14(24-3)13(23-2)8-11(12)15(17)19-16/h8-9H,4-7H2,1-3H3,(H2,17,18,19)",RYPUHXSUCBWYDG-UHFFFAOYSA-N,C16H21N5O3,Not Found,331.376,0.73609538,1,7,3,3,Influenza A Virus RNA Promoter,"RNA Promoter binding by the viral RNA polymerase and formation of an active open complex are prerequisites for viral replication and proliferation. The compound i.e., the ligand targets the Influenza A virus RNA promoter because the influenza A RNA promoter is universally conserved among influenza A virus strains, making it potentially an ideal drug target for novel antiviral agents. Once the compound bind with Influenza A virus RNA promoter, the virus become unable to replicate and proliferate.",25676805,,,,,,"Bottini A, De SK, Wu B, Tang C, Varani G, Pellecchia M. Targeting Influenza A Virus RNA Promoter. Chem Biol Drug Des. 2015 Oct;86(4):663-73. doi: 10.1111/cbdd.12534. Epub 2015 Mar 13. PMID: 25676805; PMCID: PMC4531110.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25676805/,,,,,,1504973,No,No,,,,
DBoRL1746,Influenza A Ligand 14,"2-(4-benzoylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine",COc1cc2nc(N3CCN(C(=O)c4ccccc4)CC3)nc(N)c2cc1OC,"InChI=1S/C21H23N5O3/c1-28-17-12-15-16(13-18(17)29-2)23-21(24-19(15)22)26-10-8-25(9-11-26)20(27)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H2,22,23,24)",ZZSVTGUBKHVPCL-UHFFFAOYSA-N,C21H23N5O3,Not Found,393.447,2.590269819,1,7,4,4,Influenza A Virus RNA Promoter,"RNA Promoter binding by the viral RNA polymerase and formation of an active open complex are prerequisites for viral replication and proliferation. The compound i.e., the ligand targets the Influenza A virus RNA promoter because the influenza A RNA promoter is universally conserved among influenza A virus strains, making it potentially an ideal drug target for novel antiviral agents. Once the compound bind with Influenza A virus RNA promoter, the virus become unable to replicate and proliferate.",25676805,,,,,,"Bottini A, De SK, Wu B, Tang C, Varani G, Pellecchia M. Targeting Influenza A Virus RNA Promoter. Chem Biol Drug Des. 2015 Oct;86(4):663-73. doi: 10.1111/cbdd.12534. Epub 2015 Mar 13. PMID: 25676805; PMCID: PMC4531110.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25676805/,,,,,,10691966,No,No,,,,
DBoRL1747,Influenza A Ligand 16,"2-[4-(adamantane-2-carbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine",COc1cc2nc(N3CCN(C(=O)C4C5CC6CC(C5)CC4C6)CC3)nc(N)c2cc1OC,"InChI=1S/C25H33N5O3/c1-32-20-12-18-19(13-21(20)33-2)27-25(28-23(18)26)30-5-3-29(4-6-30)24(31)22-16-8-14-7-15(10-16)11-17(22)9-14/h12-17,22H,3-11H2,1-2H3,(H2,26,27,28)",MOAFOTARXAWDMX-UHFFFAOYSA-N,C25H33N5O3,Not Found,451.571,3.070222178,1,7,4,6,Influenza A Virus RNA Promoter,"RNA Promoter binding by the viral RNA polymerase and formation of an active open complex are prerequisites for viral replication and proliferation. The compound i.e., the ligand targets the Influenza A virus RNA promoter because the influenza A RNA promoter is universally conserved among influenza A virus strains, making it potentially an ideal drug target for novel antiviral agents. Once the compound bind with Influenza A virus RNA promoter, the virus become unable to replicate and proliferate.",25676805,,,,,,"Bottini A, De SK, Wu B, Tang C, Varani G, Pellecchia M. Targeting Influenza A Virus RNA Promoter. Chem Biol Drug Des. 2015 Oct;86(4):663-73. doi: 10.1111/cbdd.12534. Epub 2015 Mar 13. PMID: 25676805; PMCID: PMC4531110.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25676805/,,,,,,Not Found,No,No,,,,
DBoRL1748,Tigecycline,"9-[2-(tert-butylamino)acetamido]-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide",CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1CC1CC3C(N(C)C)C(=O)C(C(N)=O)=C(O)C3(O)C(=O)C1=C2O,"InChI=1/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36-37,40,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)",SOVUOXKZCCAWOJ-UHFFFAOYNA-N,C29H39N5O8,Not Found,585.658,-3.922314908,7,11,7,4,30S Ribosomal subunit,"Tigecycline inhibit protein synthesis by sterically hindering the binding of tRNA to the ribosomal A site, tigecycline shows increased efficacy in both in vitro and in vivo activity assays and escapes the most common resistance mechanisms associated with the tetracycline class of antibiotics. Tigecycline binds the bacterial 30S ribosomal subunit with its tail in an extended conformation and makes extensive interactions with the 16S rRNA nucleotide C1054. These interactions restrict the mobility of C1054 and contribute to the antimicrobial activity of tigecycline, including its resistance to the ribosomal protection proteins.",25753625,,,,,,"Schedlbauer A, Kaminishi T, Ochoa-Lizarralde B, Dhimole N, Zhou S, L?pez-Alonso JP, Connell SR, Fucini P. Structural characterization of an alternative mode of tigecycline binding to the bacterial ribosome. Antimicrob Agents Chemother. 2015 May;59(5):2849-54. doi: ",,,,,,https://pubmed.ncbi.nlm.nih.gov/25753625/,,,,,,54681041,No,No,,,,
DBoRL1749,Guanosine-5'-diphosphate,"[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid",Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,"InChI=1/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)",QGWNDRXFNXRZMB-UHFFFAOYNA-N,C10H15N5O11P2,Not Found,443.202,-3.422119159,7,12,6,3,"3',3'-cGAMP riboswitch","3?,3?-cGAMP riboswitch binds with guanosine-5'-diphosphate and discriminates against its 2?,2? and 2?,3? linkage counterparts. The 3?,3?-cGAMP riboswitch preferentially bind to guanosine-5'-diphosphate over c-di-GMP. After binding of 3?,3?-cGAMP riboswitch with guanosine-5'-diphosphate, guanosine-5'-diphosphate becomes unable to work as secondary messenger in bacteria.",25818298,,,,,,"Ren A, Wang XC, Kellenberger CA, Rajashankar KR, Jones RA, Hammond MC, Patel DJ. Structural basis for molecular discrimination by a 3',3'-cGAMP sensing riboswitch. Cell Rep. 2015 Apr 7;11(1):1-12. doi: 10.1016/j.celrep.2015.03.004. Epub 2015 Mar 26. Erratum in: Cell Rep. 2015 Apr 28;11(4):671. PMID: 25818298; PMCID: PMC4732562.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25818298/,,,,,,135402030,Yes,No,Experimental,DB04315,https://go.drugbank.com/drugs/DB04315,
DBoRL1750,Cgamp,"8-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-17-(6-amino-9H-purin-9-yl)-3,9,12,18-tetrahydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",Nc1nc2c(ncn2C2OC3COP(=O)(O)OC4C(COP(=O)(O)OC3C2O)OC(n2cnc3c(N)ncnc32)C4O)c(=O)[nH]1,"InChI=1/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-10(31)12-6(40-18)1-38-45(36,37)43-13-7(2-39-44(34,35)42-12)41-19(11(13)32)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)",RFCBNSCSPXMEBK-UHFFFAOYNA-N,C20H24N10O13P2,Not Found,674.417,-5.401096588,7,16,2,7,"3',3'-cGAMP riboswitch","3?,3?-cGAMP riboswitch targets 3?,3?-cGAMP and discriminates against its 2?,2? and 2?,3? linkage counterparts. The 3?,3?-cGAMP riboswitch preferentially bind to 3?,3?-cGAMP over c-di-GMP. After binding of 3?,3?-cGAMP riboswitch with 3?,3?-cGAMP, 3?,3?-cGAMP becomes unable to work as secondary messenger in bacteria.",25818298,,,,,,"Ren A, Wang XC, Kellenberger CA, Rajashankar KR, Jones RA, Hammond MC, Patel DJ. Structural basis for molecular discrimination by a 3',3'-cGAMP sensing riboswitch. Cell Rep. 2015 Apr 7;11(1):1-12. doi: 10.1016/j.celrep.2015.03.004. Epub 2015 Mar 26. Erratum in: Cell Rep. 2015 Apr 28;11(4):671. PMID: 25818298; PMCID: PMC4732562.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25818298/,,,,,,138107821,No,No,,,,
DBoRL1751,AICA ribonucleotide,"{[5-(5-amino-4-carbamoyl-1H-imidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid",NC(=O)c1ncn(C2OC(COP(=O)(O)O)C(O)C2O)c1N,"InChI=1/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)",NOTGFIUVDGNKRI-UHFFFAOYNA-N,C9H15N4O8P,Not Found,338.213,-4.812412999,6,9,5,2,Fusobacterium ulcerans ZTP riboswitch,"5-aminoimidazole-4-carboxamide riboside 5'-triphosphate (ZTP), a bacterial alarmone, derived from the monophosphorylated purine precursor ZMP or AICA, accumulates during folate starvation. ZTP regulates genes involved in purine and folate metabolism through a cognate riboswitch.",26280533,,,,,,"Jones CP, Ferr?-D'Amar? AR. Recognition of the bacterial alarmone ZMP through long-distance association of two RNA subdomains. Nat Struct Mol Biol. 2015 Sep;22(9):679-85. doi: 10.1038/nsmb.3073. Epub 2015 Aug 17. PMID: 26280533; PMCID: PMC4824399.",,,,,,https://pubmed.ncbi.nlm.nih.gov/26280533/,,,,,,200,Yes,No,Experimental Investigational,DB01700,https://go.drugbank.com/drugs/DB01700,
DBoRL1752,Neo-N3,"1-[(2S,3S,4R,5R)-3-{[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-{[(1R,2R,3S,5R,6S)-3,5-diamino-2-{[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl]oxy}-4-hydroxyoxolan-2-yl]-2??-triaza-1,2-dien-2-yl",[H]O[C@@]1([H])[C@]([H])(O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(N([H])[H])C([H])([H])[C@]([H])(N([H])[H])[C@@]2([H])O[C@@]2([H])O[C@]([H])(C([H])([H])N([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])N([H])[H])O[C@]([H])(N=[N]=N)[C@@]1([H])O[C@@]1([H])O[C@@]([H])(C([H])([H])N([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])N([H])[H],"InChI=1S/C22H44N9O12/c23-2-6-11(33)13(35)8(27)20(38-6)40-16-5(26)1-4(25)10(32)17(16)41-22-15(37)18(19(43-22)30-31-29)42-21-9(28)14(36)12(34)7(3-24)39-21/h4-22,29,32-37H,1-3,23-28H2/t4-,5+,6-,7+,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18+,19+,20-,21-,22-/m1/s1",ILLMNOHAAWWPMN-PRKKJGEMSA-N,C22H44N9O12,Not Found,626.645,,0,0,9,4,miR-525 Hairpin Precursor,"Neo-N3 binds the Drosha processing site in the microRNA (miR)-525 precursor. MiR-525 confers invasive properties to hepatocellular carcinoma (HCC) cells. In HCC cell line, Neo-N3 selectively inhibits production of the mature miRNA, boosts a downstream protein, and inhibits invasion.",26551630,,,,,,"Childs-Disney JL, Disney MD. Small Molecule Targeting of a MicroRNA Associated with Hepatocellular Carcinoma. ACS Chem Biol. 2016 Feb 19;11(2):375-80. doi: 10.1021/acschembio.5b00615. Epub 2015 Dec 7. PMID: 26551630; PMCID: PMC4856042.",,,,,,https://pubmed.ncbi.nlm.nih.gov/26551630/,,,,,,Not Found,No,No,,,,
DBoRL1753,Sordarin,"2-{[(3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl)oxy]methyl}-9-formyl-5-methyl-13-(propan-2-yl)tetracyclo[7.4.0.0?,??.0?,?]tridec-12-ene-1-carboxylic acid",COC1C(C)OC(OCC23CC4C(C)CCC4C4(C=O)CC2C=C(C(C)C)C43C(=O)O)C(O)C1O,"InChI=1/C27H40O8/c1-13(2)19-8-16-9-25(11-28)18-7-6-14(3)17(18)10-26(16,27(19,25)24(31)32)12-34-23-21(30)20(29)22(33-5)15(4)35-23/h8,11,13-18,20-23,29-30H,6-7,9-10,12H2,1-5H3,(H,31,32)",OGGVRVMISBQNMQ-UHFFFAOYNA-N,C27H40O8,Not Found,492.609,2.106303971,3,8,7,5,Saccharomyces cerevisiae 80S ribosome,"Sordarin is a potent antifungal antibiotic that inhibits translation. Sordarin, binds with eEF2 on the 80S ribosome of yeast & stabilizes it. Hence, the translation process imhibited.",27159452,,,,,,"Abeyrathne PD, Koh CS, Grant T, Grigorieff N, Korostelev AA. Ensemble cryo-EM uncovers inchworm-like translocation of a viral IRES through the ribosome. Elife. 2016 May 9;5:e14874. doi: 10.7554/eLife.14874. PMID: 27159452; PMCID: PMC4896748.",,,,,,https://pubmed.ncbi.nlm.nih.gov/27159452/,,,,,,22219016,No,No,,,,
DBoRL1754,Targaprimir-96,"N-[({[(carbamoylmethyl)({1-[3-(4-{2,6-di-tert-butyl-4-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]phenoxy}butanamido)propyl]-1H-1,2,3-triazol-4-yl}methyl)carbamoyl]methyl}(propyl)carbamoyl)methyl]-4-(3-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)-N-propylbutanamide",CCCN(CC(=O)N(CCC)CC(=O)N(CC(N)=O)Cc1cn(CCCNC(=O)CCCOc2c(C(C)(C)C)cc(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)cc2C(C)(C)C)nn1)C(=O)CCCOc1cccc(-c2nc3ccc(-c4nc5ccc(N6CCN(C)CC6)cc5[nH]4)cc3[nH]2)c1,"InChI=1S/C77H102N18O7/c1-11-28-92(69(98)20-15-39-101-58-18-13-17-52(41-58)73-80-61-24-21-53(44-64(61)83-73)74-81-62-25-22-56(45-65(62)84-74)90-35-31-88(9)32-36-90)50-70(99)93(29-12-2)51-71(100)94(49-67(78)96)47-55-48-95(87-86-55)30-16-27-79-68(97)19-14-40-102-72-59(76(3,4)5)42-54(43-60(72)77(6,7)8)75-82-63-26-23-57(46-66(63)85-75)91-37-33-89(10)34-38-91/h13,17-18,21-26,41-46,48H,11-12,14-16,19-20,27-40,47,49-51H2,1-10H3,(H2,78,96)(H,79,97)(H,80,83)(H,81,84)(H,82,85)",OLEDRJJUXAAJFN-UHFFFAOYSA-N,C77H102N18O7,Not Found,1391.78,8.036982349,5,16,33,11,pri-miR-96,"Targaprimir-96 selectively modulates miR-96 production in cancer cells and triggers apoptosis. Importantly, the compound is ineffective on healthy breast cells, and exogenous overexpression of pri-miR-96 reduced compound potency in breast cancer cells. It was also observed that targaprimir-96 inhibits tumour growth in a mouse model of triple-negative breast cancer (TNBC).",27170187,,,,,,"Velagapudi SP, Cameron MD, Haga CL, Rosenberg LH, Lafitte M, Duckett DR, Phinney DG, Disney MD. Design of a small molecule against an oncogenic noncoding RNA. Proc Natl Acad Sci U S A. 2016 May 24;113(21):5898-903. doi: 10.1073/pnas.1523975113. Epub 2016 May 11. PMID: 27170187; PMCID: PMC4889373.",,,,,,https://pubmed.ncbi.nlm.nih.gov/27170187/,,,,,,90479856,No,No,,,,
DBoRL1755,1yy,4-(5-phenylfuran-2-yl)benzene-1-carboximidamide,N=C(N)c1ccc(-c2ccc(-c3ccccc3)o2)cc1,"InChI=1S/C17H14N2O/c18-17(19)14-8-6-13(7-9-14)16-11-10-15(20-16)12-4-2-1-3-5-12/h1-11H,(H3,18,19)",ZKRYORDLSYCKBS-UHFFFAOYSA-N,C17H14N2O,Not Found,262.312,3.168412782,2,2,3,3,AUAU and AAUU RNA hairpins,"The small molecule (i.e., 1yy) selectively binds AU base pairs informed design of a dimeric compound (2AU-2) that targets the pathogenic RNA, expanded r(AUUCU) repeats, that causes spinocerebellar ataxia type 10 (SCA10) in patient derived cells. 2AU-2 (50 nM) ameliorates various aspects of SCA10 pathology including improvement of mitochondrial dysfunction, reduced activation of caspase 3, and reduction of nuclear foci.",27248057,,,,,,"Yang, WY., Gao, R., Southern, M. et al. Design of a bioactive small molecule that targets r(AUUCU) repeats in spinocerebellar ataxia 10. Nat Commun 7, 11647 (2016). https://doi.org/10.1038/ncomms11647",,,,,,https://pubmed.ncbi.nlm.nih.gov/27248057/,,,,,,408998,No,No,,,,
DBoRL1756,2yy,4-[5-(4-carbamimidoylphenyl)furan-2-yl]benzene-1-carboximidamide,N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1,"InChI=1S/C18H16N4O/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22)",ZJHZBDRZEZEDGB-UHFFFAOYSA-N,C18H16N4O,"73819-26-8,55368-40-6",304.353,2.088881256,4,4,4,3,AUAU and AAUU RNA hairpins,"The small molecule (i.e., 2yy) selectively binds AU base pairs informed design of a dimeric compound (2AU-2) that targets the pathogenic RNA, expanded r(AUUCU) repeats, that causes spinocerebellar ataxia type 10 (SCA10) in patient derived cells. 2AU-2 (50 nM) ameliorates various aspects of SCA10 pathology including improvement of mitochondrial dysfunction, reduced activation of caspase 3, and reduction of nuclear foci.",27248057,,,,,,"Yang, WY., Gao, R., Southern, M. et al. Design of a bioactive small molecule that targets r(AUUCU) repeats in spinocerebellar ataxia 10. Nat Commun 7, 11647 (2016). https://doi.org/10.1038/ncomms11648",,,,,,https://pubmed.ncbi.nlm.nih.gov/27248057/,,,,,,126437,No,No,,,,
DBoRL1757,AU 0,"2-[({1-[3-({4-[5-(4-carbamimidoylphenyl)furan-2-yl]phenyl}methanimidamido)propyl]-1H-1,2,3-triazol-4-yl}methyl)[({1-[3-({4-[5-(4-carbamimidoylphenyl)furan-2-yl]phenyl}methanimidamido)propyl]-1H-1,2,3-triazol-4-yl}methyl)carbamoyl]amino]acetamide",N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)NCCCn4cc(CNC(=O)N(CC(N)=O)Cc5cn(CCCNC(=N)c6ccc(-c7ccc(-c8ccc(C(=N)N)cc8)o7)cc6)nn5)nn4)cc3)o2)cc1,"InChI=1S/C51H53N17O4/c52-46(69)31-66(28-41-30-68(65-63-41)26-2-24-60-50(58)39-17-9-35(10-18-39)45-22-20-43(72-45)33-5-13-37(14-6-33)48(55)56)51(70)61-27-40-29-67(64-62-40)25-1-23-59-49(57)38-15-7-34(8-16-38)44-21-19-42(71-44)32-3-11-36(12-4-32)47(53)54/h3-22,29-30H,1-2,23-28,31H2,(H2,52,69)(H3,53,54)(H3,55,56)(H2,57,59)(H2,58,60)(H,61,70)",ZTGAGPLEINVTQN-UHFFFAOYSA-N,C51H53N17O4,Not Found,968.1,2.19394438,10,14,22,8,AUAU and AAUU RNA hairpins,"The small molecule (i.e., AU 0) selectively binds AU base pairs informed design of a dimeric compound (2AU-2) that targets the pathogenic RNA, expanded r(AUUCU) repeats, that causes spinocerebellar ataxia type 10 (SCA10) in patient derived cells. 2AU-2 (50 nM) ameliorates various aspects of SCA10 pathology including improvement of mitochondrial dysfunction, reduced activation of caspase 3, and reduction of nuclear foci.",27248057,,,,,,"Yang, WY., Gao, R., Southern, M. et al. Design of a bioactive small molecule that targets r(AUUCU) repeats in spinocerebellar ataxia 10. Nat Commun 7, 11647 (2016). https://doi.org/10.1038/ncomms11650",,,,,,https://pubmed.ncbi.nlm.nih.gov/27248057/,,,,,,Not Found,No,No,,,,
DBoRL1758,AU 1,"2-[N-({1-[3-({4-[5-(4-carbamimidoylphenyl)furan-2-yl]phenyl}methanimidamido)propyl]-1H-1,2,3-triazol-4-yl}methyl)-2-{2-[({1-[3-({4-[5-(4-carbamimidoylphenyl)furan-2-yl]phenyl}methanimidamido)propyl]-1H-1,2,3-triazol-4-yl}methyl)amino]-N-propylacetamido}acetamido]acetamide",CCCN(CC(=O)N(CC(N)=O)Cc1cn(CCCNC(=N)c2ccc(-c3ccc(-c4ccc(C(=N)N)cc4)o3)cc2)nn1)C(=O)CNCc1cn(CCCNC(=N)c2ccc(-c3ccc(-c4ccc(C(=N)N)cc4)o3)cc2)nn1,"InChI=1S/C57H64N18O5/c1-2-27-72(52(77)31-65-30-45-33-74(70-68-45)28-3-25-66-56(63)43-17-9-39(10-18-43)49-23-21-47(79-49)37-5-13-41(14-6-37)54(59)60)36-53(78)73(35-51(58)76)32-46-34-75(71-69-46)29-4-26-67-57(64)44-19-11-40(12-20-44)50-24-22-48(80-50)38-7-15-42(16-8-38)55(61)62/h5-24,33-34,65H,2-4,25-32,35-36H2,1H3,(H2,58,76)(H3,59,60)(H3,61,62)(H2,63,66)(H2,64,67)",JXSHBQAHMHFBMR-UHFFFAOYSA-N,C57H64N18O5,Not Found,1081.26,1.809987575,10,16,28,8,AUAU and AAUU RNA hairpins,"The small molecule (i.e., AU 1) selectively binds AU base pairs informed design of a dimeric compound (2AU-2) that targets the pathogenic RNA, expanded r(AUUCU) repeats, that causes spinocerebellar ataxia type 10 (SCA10) in patient derived cells. 2AU-2 (50 nM) ameliorates various aspects of SCA10 pathology including improvement of mitochondrial dysfunction, reduced activation of caspase 3, and reduction of nuclear foci.",27248057,,,,,,"Yang, WY., Gao, R., Southern, M. et al. Design of a bioactive small molecule that targets r(AUUCU) repeats in spinocerebellar ataxia 10. Nat Commun 7, 11647 (2016). https://doi.org/10.1038/ncomms11651",,,,,,https://pubmed.ncbi.nlm.nih.gov/27248057/,,,,,,Not Found,No,No,,,,
DBoRL1759,AU 2,"2-[N-({1-[3-({4-[5-(4-carbamimidoylphenyl)furan-2-yl]phenyl}methanimidamido)propyl]-1H-1,2,3-triazol-4-yl}methyl)-2-(2-{2-[({1-[3-({4-[5-(4-carbamimidoylphenyl)furan-2-yl]phenyl}methanimidamido)propyl]-1H-1,2,3-triazol-4-yl}methyl)amino]-N-propylacetamido}-N-propylacetamido)acetamido]acetamide; 4-[5-(4-carbamimidoylphenyl)furan-2-yl]-N-[3-(4-methyl-1H-1,2,3-triazol-1-yl)propyl]benzene-1-carboximidamide",CCCN(CC(=O)N(CCC)CC(=O)N(CC(N)=O)Cc1cn(CCCNC(=N)c2ccc(-c3ccc(-c4ccc(C(=N)N)cc4)o3)cc2)nn1)C(=O)CNCc1cn(CCCNC(=N)c2ccc(-c3ccc(-c4ccc(C(=N)N)cc4)o3)cc2)nn1.Cc1cn(CCCNC(=N)c2ccc(-c3ccc(-c4ccc(C(=N)N)cc4)o3)cc2)nn1,"InChI=1S/C62H73N19O6.C24H25N7O/c1-3-29-77(56(83)34-70-33-49-36-80(75-73-49)31-5-27-71-61(68)47-19-11-43(12-20-47)53-25-23-51(86-53)41-7-15-45(16-8-41)59(64)65)39-57(84)78(30-4-2)40-58(85)79(38-55(63)82)35-50-37-81(76-74-50)32-6-28-72-62(69)48-21-13-44(14-22-48)54-26-24-52(87-54)42-9-17-46(18-10-42)60(66)67;1-16-15-31(30-29-16)14-2-13-28-24(27)20-9-5-18(6-10-20)22-12-11-21(32-22)17-3-7-19(8-4-17)23(25)26/h7-26,36-37,70H,3-6,27-35,38-40H2,1-2H3,(H2,63,82)(H3,64,65)(H3,66,67)(H2,68,71)(H2,69,72);3-12,15H,2,13-14H2,1H3,(H3,25,26)(H2,27,28)",PVBMCZKOARALPZ-UHFFFAOYSA-N,C86H98N26O7,Not Found,1607.91,1.80771075,10,17,40,12,UAU and AAUU RNA hairpins,"The small molecule (i.e., AU 2) selectively binds AU base pairs informed design of a dimeric compound (2AU-2) that targets the pathogenic RNA, expanded r(AUUCU) repeats, that causes spinocerebellar ataxia type 10 (SCA10) in patient derived cells. 2AU-2 (50 nM) ameliorates various aspects of SCA10 pathology including improvement of mitochondrial dysfunction, reduced activation of caspase 3, and reduction of nuclear foci.",27248057,,,,,,"Yang, WY., Gao, R., Southern, M. et al. Design of a bioactive small molecule that targets r(AUUCU) repeats in spinocerebellar ataxia 10. Nat Commun 7, 11647 (2016). https://doi.org/10.1038/ncomms11652",,,,,,https://pubmed.ncbi.nlm.nih.gov/27248057/,,,,,,Not Found,No,No,,,,
DBoRL1760,AU 3,"2-[N-({1-[3-({4-[5-(4-carbamimidoylphenyl)furan-2-yl]phenyl}methanimidamido)propyl]-1H-1,2,3-triazol-4-yl}methyl)-2-[2-(2-{2-[({1-[3-({4-[5-(4-carbamimidoylphenyl)furan-2-yl]phenyl}methanimidamido)propyl]-1H-1,2,3-triazol-4-yl}methyl)amino]-N-propylacetamido}-N-propylacetamido)-N-propylacetamido]acetamido]acetamide",CCCN(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(N)=O)Cc1cn(CCCNC(=N)c2ccc(-c3ccc(-c4ccc(C(=N)N)cc4)o3)cc2)nn1)C(=O)CNCc1cn(CCCNC(=N)c2ccc(-c3ccc(-c4ccc(C(=N)N)cc4)o3)cc2)nn1,"InChI=1S/C67H82N20O7/c1-4-31-82(60(89)37-75-36-53-39-86(80-78-53)34-7-29-76-66(73)51-21-13-47(14-22-51)57-27-25-55(93-57)45-9-17-49(18-10-45)64(69)70)42-61(90)83(32-5-2)43-62(91)84(33-6-3)44-63(92)85(41-59(68)88)38-54-40-87(81-79-54)35-8-30-77-67(74)52-23-15-48(16-24-52)58-28-26-56(94-58)46-11-19-50(20-12-46)65(71)72/h9-28,39-40,75H,4-8,29-38,41-44H2,1-3H3,(H2,68,88)(H3,69,70)(H3,71,72)(H2,73,76)(H2,74,77)",FKFGCSXRUFWBKN-UHFFFAOYSA-N,C67H82N20O7,Not Found,1279.53,1.805433926,10,18,36,8,AUAU and AAUU RNA hairpins,"The small molecule (i.e., AU 3) selectively binds AU base pairs informed design of a dimeric compound (2AU-2) that targets the pathogenic RNA, expanded r(AUUCU) repeats, that causes spinocerebellar ataxia type 10 (SCA10) in patient derived cells. 2AU-2 (50 nM) ameliorates various aspects of SCA10 pathology including improvement of mitochondrial dysfunction, reduced activation of caspase 3, and reduction of nuclear foci.",27248057,,,,,,"Yang, WY., Gao, R., Southern, M. et al. Design of a bioactive small molecule that targets r(AUUCU) repeats in spinocerebellar ataxia 10. Nat Commun 7, 11647 (2016). https://doi.org/10.1038/ncomms11653",,,,,,https://pubmed.ncbi.nlm.nih.gov/27248057/,,,,,,Not Found,No,No,,,,
DBoRL1761,AU 4,"2-[N-({1-[3-({4-[5-(4-carbamimidoylphenyl)furan-2-yl]phenyl}methanimidamido)propyl]-1H-1,2,3-triazol-4-yl}methyl)-2-{2-[2-(2-{2-[({1-[3-({4-[5-(4-carbamimidoylphenyl)furan-2-yl]phenyl}methanimidamido)propyl]-1H-1,2,3-triazol-4-yl}methyl)amino]-N-propylacetamido}-N-propylacetamido)-N-propylacetamido]-N-propylacetamido}acetamido]acetamide",CCCN(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(N)=O)Cc1cn(CCCNC(=N)c2ccc(-c3ccc(-c4ccc(C(=N)N)cc4)o3)cc2)nn1)C(=O)CNCc1cn(CCCNC(=N)c2ccc(-c3ccc(-c4ccc(C(=N)N)cc4)o3)cc2)nn1,"InChI=1S/C72H91N21O8/c1-5-33-87(64(95)40-80-39-57-42-92(85-83-57)37-9-31-81-71(78)55-23-15-51(16-24-55)61-29-27-59(100-61)49-11-19-53(20-12-49)69(74)75)45-65(96)88(34-6-2)46-66(97)89(35-7-3)47-67(98)90(36-8-4)48-68(99)91(44-63(73)94)41-58-43-93(86-84-58)38-10-32-82-72(79)56-25-17-52(18-26-56)62-30-28-60(101-62)50-13-21-54(22-14-50)70(76)77/h11-30,42-43,80H,5-10,31-41,44-48H2,1-4H3,(H2,73,94)(H3,74,75)(H3,76,77)(H2,78,81)(H2,79,82)",FMRKTBSYRLLFSD-UHFFFAOYSA-N,C72H91N21O8,Not Found,1378.66,1.803157102,10,19,40,8,AUAU and AAUU RNA hairpins,"The small molecule (i.e., AU 4) selectively binds AU base pairs informed design of a dimeric compound (2AU-2) that targets the pathogenic RNA, expanded r(AUUCU) repeats, that causes spinocerebellar ataxia type 10 (SCA10) in patient derived cells. 2AU-2 (50 nM) ameliorates various aspects of SCA10 pathology including improvement of mitochondrial dysfunction, reduced activation of caspase 3, and reduction of nuclear foci.",27248057,,,,,,"Yang, WY., Gao, R., Southern, M. et al. Design of a bioactive small molecule that targets r(AUUCU) repeats in spinocerebellar ataxia 10. Nat Commun 7, 11647 (2016). https://doi.org/10.1038/ncomms11654",,,,,,https://pubmed.ncbi.nlm.nih.gov/27248057/,,,,,,Not Found,No,No,,,,
DBoRL1762,AU 5,"2-[N-({1-[3-({4-[5-(4-carbamimidoylphenyl)furan-2-yl]phenyl}methanimidamido)propyl]-1H-1,2,3-triazol-4-yl}methyl)-2-(2-{2-[2-(2-{2-[({1-[3-({4-[5-(4-carbamimidoylphenyl)furan-2-yl]phenyl}methanimidamido)propyl]-1H-1,2,3-triazol-4-yl}methyl)amino]-N-propylacetamido}-N-propylacetamido)-N-propylacetamido]-N-propylacetamido}-N-propylacetamido)acetamido]acetamide",CCCN(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(N)=O)Cc1cn(CCCNC(=N)c2ccc(-c3ccc(-c4ccc(C(=N)N)cc4)o3)cc2)nn1)C(=O)CNCc1cn(CCCNC(=N)c2ccc(-c3ccc(-c4ccc(C(=N)N)cc4)o3)cc2)nn1,"InChI=1S/C77H100N22O9/c1-6-35-92(68(101)43-85-42-61-45-98(90-88-61)40-11-33-86-76(83)59-25-17-55(18-26-59)65-31-29-63(107-65)53-13-21-57(22-14-53)74(79)80)48-69(102)93(36-7-2)49-70(103)94(37-8-3)50-71(104)95(38-9-4)51-72(105)96(39-10-5)52-73(106)97(47-67(78)100)44-62-46-99(91-89-62)41-12-34-87-77(84)60-27-19-56(20-28-60)66-32-30-64(108-66)54-15-23-58(24-16-54)75(81)82/h13-32,45-46,85H,6-12,33-44,47-52H2,1-5H3,(H2,78,100)(H3,79,80)(H3,81,82)(H2,83,86)(H2,84,87)",MRGLPAQERVUPJU-UHFFFAOYSA-N,C77H100N22O9,Not Found,1477.79,1.800880277,10,20,44,8,AUAU and AAUU RNA hairpins,"The small molecule (i.e., AU 5) selectively binds AU base pairs informed design of a dimeric compound (2AU-2) that targets the pathogenic RNA, expanded r(AUUCU) repeats, that causes spinocerebellar ataxia type 10 (SCA10) in patient derived cells. 2AU-2 (50 nM) ameliorates various aspects of SCA10 pathology including improvement of mitochondrial dysfunction, reduced activation of caspase 3, and reduction of nuclear foci.",27248057,,,,,,"Yang, WY., Gao, R., Southern, M. et al. Design of a bioactive small molecule that targets r(AUUCU) repeats in spinocerebellar ataxia 10. Nat Commun 7, 11647 (2016). https://doi.org/10.1038/ncomms11655",,,,,,https://pubmed.ncbi.nlm.nih.gov/27248057/,,,,,,Not Found,No,No,,,,
DBoRL1763,AU 6,"2-[N-({1-[3-({4-[5-(4-carbamimidoylphenyl)furan-2-yl]phenyl}methanimidamido)propyl]-1H-1,2,3-triazol-4-yl}methyl)-2-[2-(2-{2-[2-(2-{2-[({1-[3-({4-[5-(4-carbamimidoylphenyl)furan-2-yl]phenyl}methanimidamido)propyl]-1H-1,2,3-triazol-4-yl}methyl)amino]-N-propylacetamido}-N-propylacetamido)-N-propylacetamido]-N-propylacetamido}-N-propylacetamido)-N-propylacetamido]acetamido]acetamide",CCCN(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(N)=O)Cc1cn(CCCNC(=N)c2ccc(-c3ccc(-c4ccc(C(=N)N)cc4)o3)cc2)nn1)C(=O)CNCc1cn(CCCNC(=N)c2ccc(-c3ccc(-c4ccc(C(=N)N)cc4)o3)cc2)nn1,"InChI=1S/C82H109N23O10/c1-7-37-97(72(107)46-90-45-65-48-104(95-93-65)43-13-35-91-81(88)63-27-19-59(20-28-63)69-33-31-67(114-69)57-15-23-61(24-16-57)79(84)85)51-73(108)98(38-8-2)52-74(109)99(39-9-3)53-75(110)100(40-10-4)54-76(111)101(41-11-5)55-77(112)102(42-12-6)56-78(113)103(50-71(83)106)47-66-49-105(96-94-66)44-14-36-92-82(89)64-29-21-60(22-30-64)70-34-32-68(115-70)58-17-25-62(26-18-58)80(86)87/h15-34,48-49,90H,7-14,35-47,50-56H2,1-6H3,(H2,83,106)(H3,84,85)(H3,86,87)(H2,88,91)(H2,89,92)",WXIKGTCSOZASLE-UHFFFAOYSA-N,C82H109N23O10,Not Found,1576.93,1.798603453,10,21,48,8,AUAU and AAUU RNA hairpins,"The small molecule (i.e., AU 6) selectively binds AU base pairs informed design of a dimeric compound (2AU-2) that targets the pathogenic RNA, expanded r(AUUCU) repeats, that causes spinocerebellar ataxia type 10 (SCA10) in patient derived cells. 2AU-2 (50 nM) ameliorates various aspects of SCA10 pathology including improvement of mitochondrial dysfunction, reduced activation of caspase 3, and reduction of nuclear foci.",27248057,,,,,,"Yang, WY., Gao, R., Southern, M. et al. Design of a bioactive small molecule that targets r(AUUCU) repeats in spinocerebellar ataxia 10. Nat Commun 7, 11647 (2016). https://doi.org/10.1038/ncomms11656",,,,,,https://pubmed.ncbi.nlm.nih.gov/27248057/,,,,,,Not Found,No,No,,,,
DBoRL1764,AU 7,"2-[N-({1-[3-({4-[5-(4-carbamimidoylphenyl)furan-2-yl]phenyl}methanimidamido)propyl]-1H-1,2,3-triazol-4-yl}methyl)-2-{2-[2-(2-{2-[2-(2-{2-[({1-[3-({4-[5-(4-carbamimidoylphenyl)furan-2-yl]phenyl}methanimidamido)propyl]-1H-1,2,3-triazol-4-yl}methyl)amino]-N-propylacetamido}-N-propylacetamido)-N-propylacetamido]-N-propylacetamido}-N-propylacetamido)-N-propylacetamido]-N-propylacetamido}acetamido]acetamide",CCCN(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(N)=O)Cc1cn(CCCNC(=N)c2ccc(-c3ccc(-c4ccc(C(=N)N)cc4)o3)cc2)nn1)C(=O)CNCc1cn(CCCNC(=N)c2ccc(-c3ccc(-c4ccc(C(=N)N)cc4)o3)cc2)nn1,"InChI=1S/C87H118N24O11/c1-8-39-102(76(113)49-95-48-69-51-110(100-98-69)46-15-37-96-86(93)67-29-21-63(22-30-67)73-35-33-71(121-73)61-17-25-65(26-18-61)84(89)90)54-77(114)103(40-9-2)55-78(115)104(41-10-3)56-79(116)105(42-11-4)57-80(117)106(43-12-5)58-81(118)107(44-13-6)59-82(119)108(45-14-7)60-83(120)109(53-75(88)112)50-70-52-111(101-99-70)47-16-38-97-87(94)68-31-23-64(24-32-68)74-36-34-72(122-74)62-19-27-66(28-20-62)85(91)92/h17-36,51-52,95H,8-16,37-50,53-60H2,1-7H3,(H2,88,112)(H3,89,90)(H3,91,92)(H2,93,96)(H2,94,97)",DPDQQSNAJBIXNO-UHFFFAOYSA-N,C87H118N24O11,Not Found,1676.06,1.796326629,10,22,52,8,AUAU and AAUU RNA hairpins,"The small molecule (i.e., AU 7) selectively binds AU base pairs informed design of a dimeric compound (2AU-2) that targets the pathogenic RNA, expanded r(AUUCU) repeats, that causes spinocerebellar ataxia type 10 (SCA10) in patient derived cells. 2AU-2 (50 nM) ameliorates various aspects of SCA10 pathology including improvement of mitochondrial dysfunction, reduced activation of caspase 3, and reduction of nuclear foci.",27248057,,,,,,"Yang, WY., Gao, R., Southern, M. et al. Design of a bioactive small molecule that targets r(AUUCU) repeats in spinocerebellar ataxia 10. Nat Commun 7, 11647 (2016). https://doi.org/10.1038/ncomms11657",,,,,,https://pubmed.ncbi.nlm.nih.gov/27248057/,,,,,,Not Found,No,No,,,,
DBoRL1765,AU 8,"2-[N-({1-[3-({4-[5-(4-carbamimidoylphenyl)furan-2-yl]phenyl}methanimidamido)propyl]-1H-1,2,3-triazol-4-yl}methyl)-2-(2-{2-[2-(2-{2-[2-(2-{2-[({1-[3-({4-[5-(4-carbamimidoylphenyl)furan-2-yl]phenyl}methanimidamido)propyl]-1H-1,2,3-triazol-4-yl}methyl)amino]-N-propylacetamido}-N-propylacetamido)-N-propylacetamido]-N-propylacetamido}-N-propylacetamido)-N-propylacetamido]-N-propylacetamido}-N-propylacetamido)acetamido]acetamide",CCCN(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(N)=O)Cc1cn(CCCNC(=N)c2ccc(-c3ccc(-c4ccc(C(=N)N)cc4)o3)cc2)nn1)C(=O)CNCc1cn(CCCNC(=N)c2ccc(-c3ccc(-c4ccc(C(=N)N)cc4)o3)cc2)nn1,"InChI=1S/C92H127N25O12/c1-9-41-107(80(119)52-100-51-73-54-116(105-103-73)49-17-39-101-91(98)71-31-23-67(24-32-71)77-37-35-75(128-77)65-19-27-69(28-20-65)89(94)95)57-81(120)108(42-10-2)58-82(121)109(43-11-3)59-83(122)110(44-12-4)60-84(123)111(45-13-5)61-85(124)112(46-14-6)62-86(125)113(47-15-7)63-87(126)114(48-16-8)64-88(127)115(56-79(93)118)53-74-55-117(106-104-74)50-18-40-102-92(99)72-33-25-68(26-34-72)78-38-36-76(129-78)66-21-29-70(30-22-66)90(96)97/h19-38,54-55,100H,9-18,39-53,56-64H2,1-8H3,(H2,93,118)(H3,94,95)(H3,96,97)(H2,98,101)(H2,99,102)",RLRMXXKWNDKHBO-UHFFFAOYSA-N,C92H127N25O12,Not Found,1775.19,1.794049804,10,23,56,8,AUAU and AAUU RNA hairpins,"The small molecule (i.e., AU 8) selectively binds AU base pairs informed design of a dimeric compound (2AU-2) that targets the pathogenic RNA, expanded r(AUUCU) repeats, that causes spinocerebellar ataxia type 10 (SCA10) in patient derived cells. 2AU-2 (50 nM) ameliorates various aspects of SCA10 pathology including improvement of mitochondrial dysfunction, reduced activation of caspase 3, and reduction of nuclear foci.",27248057,,,,,,"Yang, WY., Gao, R., Southern, M. et al. Design of a bioactive small molecule that targets r(AUUCU) repeats in spinocerebellar ataxia 10. Nat Commun 7, 11647 (2016). https://doi.org/10.1038/ncomms11658",,,,,,https://pubmed.ncbi.nlm.nih.gov/27248057/,,,,,,Not Found,No,No,,,,
DBoRL1766,AU Azide,"1-[3-({4-[5-(4-carbamimidoylphenyl)furan-2-yl]phenyl}methanimidamido)propyl]-2??-triaza-1,2-dien-2-yl",NC(=N)C1=CC=C(C=C1)C1=CC=C(O1)C1=CC=C(C=C1)C(=N)NCCCN=[N]=N,"InChI=1S/C21H22N7O/c22-20(23)16-6-2-14(3-7-16)18-10-11-19(29-18)15-4-8-17(9-5-15)21(24)26-12-1-13-27-28-25/h2-11,25H,1,12-13H2,(H3,22,23)(H2,24,26)",NGNPWQHHGCHKCB-UHFFFAOYSA-N,C21H22N7O,Not Found,388.455,,0,0,8,3,AUAU and AAUU RNA hairpins,"The small molecule (i.e., AU Azide) selectively binds AU base pairs informed design of a dimeric compound (2AU-2) that targets the pathogenic RNA, expanded r(AUUCU) repeats, that causes spinocerebellar ataxia type 10 (SCA10) in patient derived cells. 2AU-2 (50 nM) ameliorates various aspects of SCA10 pathology including improvement of mitochondrial dysfunction, reduced activation of caspase 3, and reduction of nuclear foci.",27248057,,,,,,"Yang, WY., Gao, R., Southern, M. et al. Design of a bioactive small molecule that targets r(AUUCU) repeats in spinocerebellar ataxia 10. Nat Commun 7, 11647 (2016). https://doi.org/10.1038/ncomms11649",,,,,,https://pubmed.ncbi.nlm.nih.gov/27248057/,,,,,,Not Found,No,No,,,,
DBoRL1767,Guanosine-5'-triphosphate,"({[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid",Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,"InChI=1/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)",XKMLYUALXHKNFT-UHFFFAOYNA-N,C10H16N5O14P3,Not Found,523.18,-3.826768356,8,14,8,3,GTP binding Class II RNA,Guanosine-5'-triphosphate has the affinity to binds with GTP binding Class II RNA. This binding results stabilization of tertiary structure of a GTP-binding RNA aptamer.,27885761,,,,,,"Wolter AC, Weickhmann AK, Nasiri AH, Hantke K, Ohlenschl?ger O, Wunderlich CH, Kreutz C, Duchardt-Ferner E, W?hnert J. A Stably Protonated Adenine Nucleotide with a Highly Shifted pKa Value Stabilizes the Tertiary Structure of a GTP-Binding RNA Aptamer. Angew Chem Int Ed Engl. 2017 Jan 2;56(1):401-404. doi: 10.1002/anie.201609184. Epub 2016 Nov 25. PMID: 27885761.",,,,,,https://pubmed.ncbi.nlm.nih.gov/27885761/,,,,,,135400627,Yes,No,Experimental,DB04137,https://go.drugbank.com/drugs/DB04137,
DBoRL1768,Oxadiazole analog 1,"5-methyl-2-{5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}thieno[2,3-b]pyridin-3-amine",Cc1cnc2sc(-c3nnc(-c4cccc(C(F)(F)F)c4)o3)c(N)c2c1,"InChI=1S/C17H11F3N4OS/c1-8-5-11-12(21)13(26-16(11)22-7-8)15-24-23-14(25-15)9-3-2-4-10(6-9)17(18,19)20/h2-7H,21H2,1H3",LPZMPKKVPITRSM-UHFFFAOYSA-N,C17H11F3N4OS,Not Found,376.36,3.589090467,1,4,3,4,HIV-1 TAR,"Oxadiazole analogue 1 bind to HIV-1 transactivation response (TAR) hairpin, a cis-acting HIV genomic element and inhibit the binding with Tat protein. Hence, viral replication and proliferation inhibited.",28002966,,,,,,"Abulwerdi FA, Shortridge MD, Sztuba-Solinska J, Wilson R, Le Grice SF, Varani G, Schneekloth JS Jr. Development of Small Molecules with a Noncanonical Binding Mode to HIV-1 Trans Activation Response (TAR) RNA. J Med Chem. 2016 Dec 22;59(24):11148-11160. doi: 10.1021/acs.jmedchem.6b01450. Epub 2016 Dec 2. PMID: 28002966; PMCID: PMC5525537.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28002966/,,,,,,Not Found,No,No,,,,
DBoRL1769,Oxadiazole analog 2,"4-methyl-2-{5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}thieno[2,3-b]pyridin-3-amine",Cc1ccnc2sc(-c3nnc(-c4cccc(C(F)(F)F)c4)o3)c(N)c12,"InChI=1S/C17H11F3N4OS/c1-8-5-6-22-16-11(8)12(21)13(26-16)15-24-23-14(25-15)9-3-2-4-10(7-9)17(18,19)20/h2-7H,21H2,1H3",HYSGUHKBWUUUAM-UHFFFAOYSA-N,C17H11F3N4OS,Not Found,376.36,3.589090467,1,4,3,4,HIV-1 TAR,"Oxadiazole analogue 2 bind to HIV-1 transactivation response (TAR) hairpin, a cis-acting HIV genomic element and inhibit the binding with Tat protein. Hence, viral replication and proliferation inhibited.",28002966,,,,,,"Abulwerdi FA, Shortridge MD, Sztuba-Solinska J, Wilson R, Le Grice SF, Varani G, Schneekloth JS Jr. Development of Small Molecules with a Noncanonical Binding Mode to HIV-1 Trans Activation Response (TAR) RNA. J Med Chem. 2016 Dec 22;59(24):11148-11160. doi: 10.1021/acs.jmedchem.6b01450. Epub 2016 Dec 2. PMID: 28002966; PMCID: PMC5525537.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28002966/,,,,,,Not Found,No,No,,,,
DBoRL1770,Oxadiazole analog 3,"2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-6-methylthieno[2,3-b]pyridin-3-amine",Cc1ccc2c(N)c(-c3nnc(-c4ccc(Cl)cc4)o3)sc2n1,"InChI=1S/C16H11ClN4OS/c1-8-2-7-11-12(18)13(23-16(11)19-8)15-21-20-14(22-15)9-3-5-10(17)6-4-9/h2-7H,18H2,1H3",DKQNPLUQJJKNDY-UHFFFAOYSA-N,C16H11ClN4OS,Not Found,342.8,2.933235441,1,4,2,4,HIV-1 TAR,"Oxadiazole analogue 3 bind to HIV-1 transactivation response (TAR) hairpin, a cis-acting HIV genomic element and inhibit the binding with Tat protein. Hence, viral replication and proliferation inhibited.",28002966,,,,,,"Abulwerdi FA, Shortridge MD, Sztuba-Solinska J, Wilson R, Le Grice SF, Varani G, Schneekloth JS Jr. Development of Small Molecules with a Noncanonical Binding Mode to HIV-1 Trans Activation Response (TAR) RNA. J Med Chem. 2016 Dec 22;59(24):11148-11160. doi: 10.1021/acs.jmedchem.6b01450. Epub 2016 Dec 2. PMID: 28002966; PMCID: PMC5525537.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28002966/,,,,,,Not Found,No,No,,,,
DBoRL1771,Oxadiazole analog 4,"2-{5-[3-(aminomethyl)phenyl]-1,3,4-oxadiazol-2-yl}-6-methylthieno[2,3-b]pyridin-3-amine",Cc1ccc2c(N)c(-c3nnc(-c4cccc(CN)c4)o3)sc2n1,"InChI=1S/C17H15N5OS/c1-9-5-6-12-13(19)14(24-17(12)20-9)16-22-21-15(23-16)11-4-2-3-10(7-11)8-18/h2-7H,8,18-19H2,1H3",VCRRTCCTLIFBQY-UHFFFAOYSA-N,C17H15N5OS,Not Found,337.4,1.454959201,2,5,3,4,HIV-1 TAR,"Oxadiazole analogue 4 bind to HIV-1 transactivation response (TAR) hairpin, a cis-acting HIV genomic element and inhibit the binding with Tat protein. Hence, viral replication and proliferation inhibited.",28002966,,,,,,"Abulwerdi FA, Shortridge MD, Sztuba-Solinska J, Wilson R, Le Grice SF, Varani G, Schneekloth JS Jr. Development of Small Molecules with a Noncanonical Binding Mode to HIV-1 Trans Activation Response (TAR) RNA. J Med Chem. 2016 Dec 22;59(24):11148-11160. doi: 10.1021/acs.jmedchem.6b01450. Epub 2016 Dec 2. PMID: 28002966; PMCID: PMC5525537.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28002966/,,,,,,Not Found,No,No,,,,
DBoRL1772,Oxadiazole analog 5,"6-methyl-2-{5-[(4-nitrophenyl)methyl]-1,3,4-oxadiazol-2-yl}thieno[2,3-b]pyridin-3-amine",Cc1ccc2c(N)c(-c3nnc(Cc4ccc([N+](=O)[O-])cc4)o3)sc2n1,"InChI=1S/C17H13N5O3S/c1-9-2-7-12-14(18)15(26-17(12)19-9)16-21-20-13(25-16)8-10-3-5-11(6-4-10)22(23)24/h2-7H,8,18H2,1H3",PQUWCQQRAOBDDE-UHFFFAOYSA-N,C17H13N5O3S,Not Found,367.38,2.201809255,1,6,4,4,HIV-1 TAR,"Oxadiazole analogue 5 bind to HIV-1 transactivation response (TAR) hairpin, a cis-acting HIV genomic element and inhibit the binding with Tat protein. Hence, viral replication and proliferation inhibited.",28002966,,,,,,"Abulwerdi FA, Shortridge MD, Sztuba-Solinska J, Wilson R, Le Grice SF, Varani G, Schneekloth JS Jr. Development of Small Molecules with a Noncanonical Binding Mode to HIV-1 Trans Activation Response (TAR) RNA. J Med Chem. 2016 Dec 22;59(24):11148-11160. doi: 10.1021/acs.jmedchem.6b01450. Epub 2016 Dec 2. PMID: 28002966; PMCID: PMC5525537.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28002966/,,,,,,Not Found,No,No,,,,
DBoRL1773,Oxadiazole analog 6,"6-methyl-2-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]thieno[2,3-b]pyridin-3-amine",Cc1ccc2c(N)c(-c3nnc(-c4ccncc4)o3)sc2n1,"InChI=1S/C15H11N5OS/c1-8-2-3-10-11(16)12(22-15(10)18-8)14-20-19-13(21-14)9-4-6-17-7-5-9/h2-7H,16H2,1H3",MAEJQDRHMXOAJF-UHFFFAOYSA-N,C15H11N5OS,Not Found,309.35,1.111518338,1,5,2,4,HIV-1 TAR,"Oxadiazole analogue 6 bind to HIV-1 transactivation response (TAR) hairpin, a cis-acting HIV genomic element and inhibit the binding with Tat protein. Hence, viral replication and proliferation inhibited.",28002966,,,,,,"Abulwerdi FA, Shortridge MD, Sztuba-Solinska J, Wilson R, Le Grice SF, Varani G, Schneekloth JS Jr. Development of Small Molecules with a Noncanonical Binding Mode to HIV-1 Trans Activation Response (TAR) RNA. J Med Chem. 2016 Dec 22;59(24):11148-11160. doi: 10.1021/acs.jmedchem.6b01450. Epub 2016 Dec 2. PMID: 28002966; PMCID: PMC5525537.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28002966/,,,,,,Not Found,No,No,,,,
DBoRL1774,Oxadiazole analog 7,"2-{5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl}-6-methylthieno[2,3-b]pyridin-3-amine",Cc1ccc2c(N)c(-c3nnc(Cc4ccc(F)cc4)o3)sc2n1,"InChI=1S/C17H13FN4OS/c1-9-2-7-12-14(19)15(24-17(12)20-9)16-22-21-13(23-16)8-10-3-5-11(18)6-4-10/h2-7H,8,19H2,1H3",OLCPKUNPHVVLSB-UHFFFAOYSA-N,C17H13FN4OS,Not Found,340.38,2.404527002,1,4,3,4,HIV-1 TAR,"Oxadiazole analogue 7 bind to HIV-1 transactivation response (TAR) hairpin, a cis-acting HIV genomic element and inhibit the binding with Tat protein. Hence, viral replication and proliferation inhibited.",28002966,,,,,,"Abulwerdi FA, Shortridge MD, Sztuba-Solinska J, Wilson R, Le Grice SF, Varani G, Schneekloth JS Jr. Development of Small Molecules with a Noncanonical Binding Mode to HIV-1 Trans Activation Response (TAR) RNA. J Med Chem. 2016 Dec 22;59(24):11148-11160. doi: 10.1021/acs.jmedchem.6b01450. Epub 2016 Dec 2. PMID: 28002966; PMCID: PMC5525537.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28002966/,,,,,,Not Found,No,No,,,,
DBoRL1775,"[(2~{r},3~{s},4~{r},5~{r})-5-(2-Azanyl-6-Oxidanylidene-1~{h}-Purin-9-Yl)-3,4-Bis(Oxidanyl)oxolan-2-Yl]methoxy-(3-Methyl-1~{h}-Pyrazol-4-Yl)phosphinic Acid","{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(5-methyl-1H-pyrazol-4-yl)phosphinic acid",Cc1[nH]ncc1P(=O)(O)OCC1OC(n2cnc3c(=O)[nH]c(N)nc32)C(O)C1O,"InChI=1/C14H18N7O7P/c1-5-7(2-17-20-5)29(25,26)27-3-6-9(22)10(23)13(28-6)21-4-16-8-11(21)18-14(15)19-12(8)24/h2,4,6,9-10,13,22-23H,3H2,1H3,(H,17,20)(H,25,26)(H3,15,18,19,24)",KSGRBDIXLOOOHG-UHFFFAOYNA-N,C14H18N7O7P,Not Found,427.314,-3.984032539,6,10,5,4,RNA primer-template,The compound bind with RNA-primer template which results unusual base pairing. These effects significantly the rate and fidelity of RNA replication.,28058281,,,,,,"Zhang W, Tam CP, Wang J, Szostak JW. Unusual Base-Pairing Interactions in Monomer-Template Complexes. ACS Cent Sci. 2016 Dec 28;2(12):916-926. doi: 10.1021/acscentsci.6b00278. Epub 2016 Nov 2. PMID: 28058281; PMCID: PMC5200924.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28058281/,,,,,,Not Found,No,No,,,,
DBoRL1776,5-Hydroxy-L-tryptophan,2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid,NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O,"InChI=1/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)",LDCYZAJDBXYCGN-UHFFFAOYNA-N,C11H12N2O3,Not Found,220.228,-1.389698462,4,4,3,2,5-hydroxytryptophan aptamer,"5-Hydroxy-L-tryptophan (5HTP), a small molecule biosensor, binds to 5-hydroxytryptophan aptamer (a scaffolded aptamer) with high selectivity.",28092358,,,,,,"Porter EB, Polaski JT, Morck MM, Batey RT. Recurrent RNA motifs as scaffolds for genetically encodable small-molecule biosensors. Nat Chem Biol. 2017 Mar;13(3):295-301. doi: 10.1038/nchembio.2278. Epub 2017 Jan 16. PMID: 28092358; PMCID: PMC5310984.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28092358/,,,,,,144,Yes,Yes,Investigational Nutraceutical,DB02959,https://go.drugbank.com/drugs/DB02959,
DBoRL1777,Guanidinium,(diaminomethylidene)azanium,NC(N)=[NH2+],"InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)/p+1",ZRALSGWEFCBTJO-UHFFFAOYSA-O,CH6N3,25215-10-5,60.079,-1.236839015,3,2,0,0,Dickeya dadantii ykkC riboswitch ,Guanidinium binds with ykkc riboswitch and regulate the gene expression in bacteria.,28096518,,,,,,"Battaglia RA, Price IR, Ke A. Structural basis for guanidine sensing by the ykkC family of riboswitches. RNA. 2017 Apr;23(4):578-585. doi: 10.1261/rna.060186.116. Epub 2017 Jan 17. PMID: 28096518; PMCID: PMC5340920.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28096518/,,,,,,32838,Yes,Yes,,DB00536,https://go.drugbank.com/drugs/DB00536,This is the isomeric form of the drug approved by USFDA.
DBoRL1778,Ribocil-C,"2-(1-{[1-(pyrimidin-2-yl)-1H-imidazol-4-yl]methyl}piperidin-3-yl)-6-(thiophen-2-yl)-3,4-dihydropyrimidin-4-one",O=c1cc(-c2cccs2)nc(C2CCCN(Cc3cn(-c4ncccn4)cn3)C2)[nH]1,"InChI=1/C21H21N7OS/c29-19-10-17(18-5-2-9-30-18)25-20(26-19)15-4-1-8-27(11-15)12-16-13-28(14-24-16)21-22-6-3-7-23-21/h2-3,5-7,9-10,13-15H,1,4,8,11-12H2,(H,25,26,29)",UVDVCDUBJWYRJW-UHFFFAOYNA-N,C21H21N7OS,Not Found,419.51,1.668620405,1,6,5,5,FMN riboswitch,"Ribocil-C (an antimetabolite analog of riboflavin), a highly selective inhibitor of the flavin mononucleotide (FMN) riboswitch that controls expression of de novo riboflavin (RF, vitamin B2) biosynthesis in Escherichia coli. Ribocil-C specifically inhibits dual FMN riboswitches, separately controlling RF biosynthesis and uptake processes essential for growth and pathogenesis of gram-positive bacteria (like methicillin-resistant Staphylococcus aureus (MRSA), Enterococcus faecalis).",28434876,,,,,,"Wang H, Mann PA, Xiao L, Gill C, Galgoci AM, Howe JA, Villafania A, Barbieri CM, Malinverni JC, Sher X, Mayhood T, McCurry MD, Murgolo N, Flattery A, Mack M, Roemer T. Dual-Targeting Small-Molecule Inhibitors of the Staphylococcus aureus FMN Riboswitch Disrupt Riboflavin Homeostasis in an Infectious Setting. Cell Chem Biol. 2017 May 18;24(5):576-588.e6. doi: 10.1016/j.chembiol.2017.03.014. Epub 2017 Apr 20. PMID: 28434876.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28434876/,,,,,,137220378,No,No,,,,
DBoRL1779,Agmatine,N''-(4-aminobutyl)guanidine,NCCCCN=C(N)N,"InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)",QYPPJABKJHAVHS-UHFFFAOYSA-N,C5H14N4,306-60-5,130.195,-1.232824348,3,4,4,0,G. violaceus guanidine II riboswitch P1 stem-loop,"The guanidine-II (mini-ykkC) riboswitch is the smallest of the guanidine-responsive riboswitches, comprising two stem loops of similar sequence. Agmatine binds and stabilize the structure of guanidine II riboswitch P1 stem-loop.",28529131,,,,,,"Huang L, Wang J, Lilley DMJ. The Structure of the Guanidine-II Riboswitch. Cell Chem Biol. 2017 Jun 22;24(6):695-702.e2. doi: 10.1016/j.chembiol.2017.05.014. Epub 2017 May 18. PMID: 28529131; PMCID: PMC5486947.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28529131/,,,,,,199,No,No,,,,
DBoRL1780,"4-{[(2s)-3-{2,16-Dioxo-20-[(3as,4s,6ar)-2-Oxohexahydro-1h-Thieno[3,4-D]imidazol-4-Yl]-6,9,12-Trioxa-3,15-Diazaicosan-1-Yl}-2,3-Dihydro-1,3-Benzothiazol-2-Yl]methyl}-1-Methylquinolin-1-Ium","1-methyl-4-{[3-({[2-(2-{2-[2-(5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanamido)ethoxy]ethoxy}ethoxy)ethyl]carbamoyl}methyl)-2,3-dihydro-1,3-benzothiazol-2-yl]methyl}quinolin-1-ium",C[n+]1ccc(CC2Sc3ccccc3N2CC(=O)NCCOCCOCCOCCNC(=O)CCCCC2SCC3NC(=O)NC32)c2ccccc21,"InChI=1/C38H50N6O6S2/c1-43-17-14-27(28-8-2-3-9-30(28)43)24-36-44(31-10-4-5-11-32(31)52-36)25-35(46)40-16-19-49-21-23-50-22-20-48-18-15-39-34(45)13-7-6-12-33-37-29(26-51-33)41-38(47)42-37/h2-5,8-11,14,17,29,33,36-37H,6-7,12-13,15-16,18-26H2,1H3,(H3-,39,40,41,42,45,46,47)/p+1",BXBHTLUUPXOIJA-UHFFFAOYNA-O,C38H51N6O6S2,Not Found,751.98,-1.563486574,4,7,21,6,fluorogenic RNA Mango,"RNA Mango has an exceptionally high affinity for its thiazole orange (TO)-derived fluorophore i.e., 4-{[(2s)-3-{2,16-Dioxo-20-[(3as,4s,6ar)-2-Oxohexahydro-1h-Thieno[3,4-D]imidazol-4-Yl]-6,9,12-Trioxa-3,15-Diazaicosan-1-Yl}-2,3-Dihydro-1,3-Benzothiazol-2-Yl]methyl}-1-Methylquinolin-1-Ium. The compound that is held in place by two loop adenines and make a 45? angle with respect to each other. Minimizing this angle would increase quantum yield and further improve this tool for in vivo RNA visualization.",28553947,,,,,,"rachman RJ 3rd, Demeshkina NA, Lau MWL, Panchapakesan SSS, Jeng SCY, Unrau PJ, Ferr?-D'Amar? AR. Structural basis for high-affinity fluorophore binding and activation by RNA Mango. Nat Chem Biol. 2017 Jul;13(7):807-813. doi: 10.1038/nchembio.2392. Epub 2017 May 29. PMID: 28553947; PMCID: PMC5550021.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28553947/,,,,,,Not Found,No,No,,,,
DBoRL1781,Diguanosine diphosphate,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid",Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)C(O)C3O)C(O)C2O)c(=O)[nH]1,"InChI=1/C20H26N10O15P2/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(43-17)1-41-46(37,38)45-47(39,40)42-2-6-10(32)12(34)18(44-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H3,21,25,27,35)(H3,22,26,28,36)",LFEYGVXBDRXHGF-UHFFFAOYNA-N,C20H26N10O15P2,Not Found,708.431,-5.061263111,10,18,10,6,RNA primer-template,Diguanosine diphosphate extend nonenzymatic RNA primer from the structure of an RNA-GpppG complex.,28673998,,,,,,"Zhang W, Tam CP, Walton T, Fahrenbach AC, Birrane G, Szostak JW. Insight into the mechanism of nonenzymatic RNA primer extension from the structure of an RNA-GpppG complex. Proc Natl Acad Sci U S A. 2017 Jul 18;114(29):7659-7664. doi: 10.1073/pnas.1704006114. Epub 2017 Jul 3. PMID: 28673998; PMCID: PMC5530681.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28673998/,,,,,,137078274,No,No,,,,
DBoRL1782,Diguanosine-5'-triphosphate,"bis[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid",Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)C(O)C3O)C(O)C2O)c(=O)[nH]1,"InChI=1/C20H27N10O18P3/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(45-17)1-43-49(37,38)47-51(41,42)48-50(39,40)44-2-6-10(32)12(34)18(46-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H3,21,25,27,35)(H3,22,26,28,36)",AAXYAFFKOSNMEB-UHFFFAOYNA-N,C20H27N10O18P3,Not Found,788.409,-5.48306159,11,20,12,6,RNA primer-template,Diguanosine diphosphate extend nonenzymatic RNA primer from the structure of an RNA-GpppG complex.,28673998,,,,,,"Zhang W, Tam CP, Walton T, Fahrenbach AC, Birrane G, Szostak JW. Insight into the mechanism of nonenzymatic RNA primer extension from the structure of an RNA-GpppG complex. Proc Natl Acad Sci U S A. 2017 Jul 18;114(29):7659-7664. doi: 10.1073/pnas.1704006114. Epub 2017 Jul 3. PMID: 28673998; PMCID: PMC5530681.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28673998/,,,,,,135424185,Yes,No,Experimental,DB03931,https://go.drugbank.com/drugs/DB03931,
DBoRL1783,Amiloride Derivative 1,3-amino-6-chloro-N-(diaminomethylidene)-5-(piperidin-1-yl)pyrazine-2-carboxamide,NC(N)=NC(=O)c1nc(Cl)c(N2CCCCC2)nc1N,"InChI=1S/C11H16ClN7O/c12-7-9(19-4-2-1-3-5-19)17-8(13)6(16-7)10(20)18-11(14)15/h1-5H2,(H2,13,17)(H4,14,15,18,20)",MUXUBPXAMABMBB-UHFFFAOYSA-N,C11H16ClN7O,123529-15-7,297.75,0.896966828,3,8,2,2,HIV-1 TAR,"Amiloride Derivative 1, an RNA-binding scaffold, binds with HIV-1 TAR and inhibit the binding with Tat protein, results inhibition of viral replication. ",28798862,,,,,,"Patwardhan NN, Ganser LR, Kapral GJ, Eubanks CS, Lee J, Sathyamoorthy B, Al-Hashimi HM, Hargrove AE. Amiloride as a new RNA-binding scaffold with activity against HIV-1 TAR. Medchemcomm. 2017 May 1;8(5):1022-1036. doi: 10.1039/C6MD00729E. Epub 2017 Mar 15. PMID: 28798862; PMCID: PMC5546750.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28798862/,,,,,,195390,No,No,,,,
DBoRL1784,Amiloride Derivative 10,3-amino-6-chloro-N-(diaminomethylidene)-5-{[(oxolan-2-yl)methyl]amino}pyrazine-2-carboxamide,NC(N)=NC(=O)c1nc(Cl)c(NCC2CCCO2)nc1N,"InChI=1/C11H16ClN7O2/c12-7-9(16-4-5-2-1-3-21-5)18-8(13)6(17-7)10(20)19-11(14)15/h5H,1-4H2,(H3,13,16,18)(H4,14,15,19,20)",QYDMSWIVDUPJDL-UHFFFAOYNA-N,C11H16ClN7O2,Not Found,313.75,-0.170076007,4,9,4,2,HIV-1 TAR,"Amiloride Derivative 10, an RNA-binding scaffold, binds with HIV-1 TAR and inhibit the binding with Tat protein, results inhibition of viral replication. ",28798862,,,,,,"Patwardhan NN, Ganser LR, Kapral GJ, Eubanks CS, Lee J, Sathyamoorthy B, Al-Hashimi HM, Hargrove AE. Amiloride as a new RNA-binding scaffold with activity against HIV-1 TAR. Medchemcomm. 2017 May 1;8(5):1022-1036. doi: 10.1039/C6MD00729E. Epub 2017 Mar 15. PMID: 28798862; PMCID: PMC5546750.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28798862/,,,,,,Not Found,No,No,,,,
DBoRL1785,Amiloride Derivative 11,3-amino-6-chloro-N-(diaminomethylidene)-5-{[2-(4-methylpiperazin-1-yl)ethyl]amino}pyrazine-2-carboxamide,CN1CCN(CCNc2nc(N)c(C(=O)N=C(N)N)nc2Cl)CC1,"InChI=1S/C13H22ClN9O/c1-22-4-6-23(7-5-22)3-2-18-11-9(14)19-8(10(15)20-11)12(24)21-13(16)17/h2-7H2,1H3,(H3,15,18,20)(H4,16,17,21,24)",YEPGKHAQWYOICS-UHFFFAOYSA-N,C13H22ClN9O,Not Found,355.83,-0.722900934,4,10,5,2,HIV-1 TAR,"Amiloride Derivative 11, an RNA-binding scaffold, binds with HIV-1 TAR and inhibit the binding with Tat protein, results inhibition of viral replication. ",28798862,,,,,,"Patwardhan NN, Ganser LR, Kapral GJ, Eubanks CS, Lee J, Sathyamoorthy B, Al-Hashimi HM, Hargrove AE. Amiloride as a new RNA-binding scaffold with activity against HIV-1 TAR. Medchemcomm. 2017 May 1;8(5):1022-1036. doi: 10.1039/C6MD00729E. Epub 2017 Mar 15. PMID: 28798862; PMCID: PMC5546750.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28798862/,,,,,,Not Found,No,No,,,,
DBoRL1786,Amiloride Derivative 12,3-amino-5-[(2-aminoethyl)amino]-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide,NCCNc1nc(N)c(C(=O)N=C(N)N)nc1Cl,"InChI=1S/C8H13ClN8O/c9-4-6(14-2-1-10)16-5(11)3(15-4)7(18)17-8(12)13/h1-2,10H2,(H3,11,14,16)(H4,12,13,17,18)",NGAFXIAWXQRJTA-UHFFFAOYSA-N,C8H13ClN8O,Not Found,272.7,-1.385648844,5,9,4,1,HIV-1 TAR,"Amiloride Derivative 12, an RNA-binding scaffold, binds with HIV-1 TAR and inhibit the binding with Tat protein, results inhibition of viral replication. ",28798862,,,,,,"Patwardhan NN, Ganser LR, Kapral GJ, Eubanks CS, Lee J, Sathyamoorthy B, Al-Hashimi HM, Hargrove AE. Amiloride as a new RNA-binding scaffold with activity against HIV-1 TAR. Medchemcomm. 2017 May 1;8(5):1022-1036. doi: 10.1039/C6MD00729E. Epub 2017 Mar 15. PMID: 28798862; PMCID: PMC5546750.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28798862/,,,,,,Not Found,No,No,,,,
DBoRL1787,Amiloride Derivative 13,3-amino-6-chloro-5-cyclopentyl-N-(diaminomethylidene)pyrazine-2-carboxamide,NC(N)=NC(=O)c1nc(Cl)c(C2CCCC2)nc1N,"InChI=1S/C11H15ClN6O/c12-8-6(5-3-1-2-4-5)17-9(13)7(16-8)10(19)18-11(14)15/h5H,1-4H2,(H2,13,17)(H4,14,15,18,19)",JEVXRNUAVFKWNK-UHFFFAOYSA-N,C11H15ClN6O,Not Found,282.73,1.144403029,3,7,2,2,HIV-1 TAR,"Amiloride Derivative 13, an RNA-binding scaffold, binds with HIV-1 TAR and inhibit the binding with Tat protein, results inhibition of viral replication. ",28798862,,,,,,"Patwardhan NN, Ganser LR, Kapral GJ, Eubanks CS, Lee J, Sathyamoorthy B, Al-Hashimi HM, Hargrove AE. Amiloride as a new RNA-binding scaffold with activity against HIV-1 TAR. Medchemcomm. 2017 May 1;8(5):1022-1036. doi: 10.1039/C6MD00729E. Epub 2017 Mar 15. PMID: 28798862; PMCID: PMC5546750.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28798862/,,,,,,Not Found,No,No,,,,
DBoRL1788,Amiloride Derivative 2,3-amino-6-chloro-N-(diaminomethylidene)-5-[(2-phenylethyl)amino]pyrazine-2-carboxamide,NC(N)=NC(=O)c1nc(Cl)c(NCCc2ccccc2)nc1N,"InChI=1S/C14H16ClN7O/c15-10-12(19-7-6-8-4-2-1-3-5-8)21-11(16)9(20-10)13(23)22-14(17)18/h1-5H,6-7H2,(H3,16,19,21)(H4,17,18,22,23)",LNXZBJQSGZMSNF-UHFFFAOYSA-N,C14H16ClN7O,Not Found,333.78,1.424469287,4,8,5,2,HIV-1 TAR,"Amiloride Derivative 2, an RNA-binding scaffold, binds with HIV-1 TAR and inhibit the binding with Tat protein, results inhibition of viral replication. ",28798862,,,,,,"Patwardhan NN, Ganser LR, Kapral GJ, Eubanks CS, Lee J, Sathyamoorthy B, Al-Hashimi HM, Hargrove AE. Amiloride as a new RNA-binding scaffold with activity against HIV-1 TAR. Medchemcomm. 2017 May 1;8(5):1022-1036. doi: 10.1039/C6MD00729E. Epub 2017 Mar 15. PMID: 28798862; PMCID: PMC5546750.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28798862/,,,,,,44574895,No,No,,,,
DBoRL1789,Amiloride Derivative 3,3-amino-6-chloro-N-(diaminomethylidene)-5-{[2-(4-fluorophenyl)ethyl]amino}pyrazine-2-carboxamide,NC(N)=NC(=O)c1nc(Cl)c(NCCc2ccc(F)cc2)nc1N,"InChI=1S/C14H15ClFN7O/c15-10-12(20-6-5-7-1-3-8(16)4-2-7)22-11(17)9(21-10)13(24)23-14(18)19/h1-4H,5-6H2,(H3,17,20,22)(H4,18,19,23,24)",HEHXGOQRZSHZIW-UHFFFAOYSA-N,C14H15ClFN7O,Not Found,351.77,1.567171223,4,8,5,2,HIV-1 TAR,"Amiloride Derivative 3, an RNA-binding scaffold, binds with HIV-1 TAR and inhibit the binding with Tat protein, results inhibition of viral replication. ",28798862,,,,,,"Patwardhan NN, Ganser LR, Kapral GJ, Eubanks CS, Lee J, Sathyamoorthy B, Al-Hashimi HM, Hargrove AE. Amiloride as a new RNA-binding scaffold with activity against HIV-1 TAR. Medchemcomm. 2017 May 1;8(5):1022-1036. doi: 10.1039/C6MD00729E. Epub 2017 Mar 15. PMID: 28798862; PMCID: PMC5546750.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28798862/,,,,,,44574898,No,No,,,,
DBoRL1790,Amiloride Derivative 4,3-amino-5-(benzylamino)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide,NC(N)=NC(=O)c1nc(Cl)c(NCc2ccccc2)nc1N,"InChI=1S/C13H14ClN7O/c14-9-11(18-6-7-4-2-1-3-5-7)20-10(15)8(19-9)12(22)21-13(16)17/h1-5H,6H2,(H3,15,18,20)(H4,16,17,21,22)",DOADNPZTVBOYFT-UHFFFAOYSA-N,C13H14ClN7O,Not Found,319.75,1.135808082,4,8,4,2,HIV-1 TAR,"Amiloride Derivative 4, an RNA-binding scaffold, binds with HIV-1 TAR and inhibit the binding with Tat protein, results inhibition of viral replication. ",28798862,,,,,,"Patwardhan NN, Ganser LR, Kapral GJ, Eubanks CS, Lee J, Sathyamoorthy B, Al-Hashimi HM, Hargrove AE. Amiloride as a new RNA-binding scaffold with activity against HIV-1 TAR. Medchemcomm. 2017 May 1;8(5):1022-1036. doi: 10.1039/C6MD00729E. Epub 2017 Mar 15. PMID: 28798862; PMCID: PMC5546750.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28798862/,,,,,,57399649,No,No,,,,
DBoRL1791,Amiloride Derivative 5,3-amino-6-chloro-N-(diaminomethylidene)-5-{[3-(1H-imidazol-1-yl)propyl]amino}pyrazine-2-carboxamide,NC(N)=NC(=O)c1nc(Cl)c(NCCCn2ccnc2)nc1N,"InChI=1S/C12H16ClN9O/c13-8-10(18-2-1-4-22-5-3-17-6-22)20-9(14)7(19-8)11(23)21-12(15)16/h3,5-6H,1-2,4H2,(H3,14,18,20)(H4,15,16,21,23)",IHWDVRWZGXXXIA-UHFFFAOYSA-N,C12H16ClN9O,Not Found,337.77,-0.621778381,4,9,6,2,HIV-1 TAR,"Amiloride Derivative 5, an RNA-binding scaffold, binds with HIV-1 TAR and inhibit the binding with Tat protein, results inhibition of viral replication. ",28798862,,,,,,"Patwardhan NN, Ganser LR, Kapral GJ, Eubanks CS, Lee J, Sathyamoorthy B, Al-Hashimi HM, Hargrove AE. Amiloride as a new RNA-binding scaffold with activity against HIV-1 TAR. Medchemcomm. 2017 May 1;8(5):1022-1036. doi: 10.1039/C6MD00729E. Epub 2017 Mar 15. PMID: 28798862; PMCID: PMC5546750.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28798862/,,,,,,Not Found,No,No,,,,
DBoRL1792,Amiloride Derivative 6,3-amino-6-chloro-N-(diaminomethylidene)-5-{[2-(piperazin-1-yl)ethyl]amino}pyrazine-2-carboxamide,NC(N)=NC(=O)c1nc(Cl)c(NCCN2CCNCC2)nc1N,"InChI=1S/C12H20ClN9O/c13-8-10(18-3-6-22-4-1-17-2-5-22)20-9(14)7(19-8)11(23)21-12(15)16/h17H,1-6H2,(H3,14,18,20)(H4,15,16,21,23)",VHMWXRMWONUFKA-UHFFFAOYSA-N,C12H20ClN9O,Not Found,341.8,-1.105948871,5,10,5,2,HIV-1 TAR,"Amiloride Derivative 6, an RNA-binding scaffold, binds with HIV-1 TAR and inhibit the binding with Tat protein, results inhibition of viral replication. ",28798862,,,,,,"Patwardhan NN, Ganser LR, Kapral GJ, Eubanks CS, Lee J, Sathyamoorthy B, Al-Hashimi HM, Hargrove AE. Amiloride as a new RNA-binding scaffold with activity against HIV-1 TAR. Medchemcomm. 2017 May 1;8(5):1022-1036. doi: 10.1039/C6MD00729E. Epub 2017 Mar 15. PMID: 28798862; PMCID: PMC5546750.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28798862/,,,,,,Not Found,No,No,,,,
DBoRL1793,Amiloride Derivative 7,3-amino-6-chloro-N-(diaminomethylidene)-5-{[2-(1H-indol-3-yl)ethyl]amino}pyrazine-2-carboxamide,NC(N)=NC(=O)c1nc(Cl)c(NCCc2c[nH]c3ccccc23)nc1N,"InChI=1S/C16H17ClN8O/c17-12-14(24-13(18)11(23-12)15(26)25-16(19)20)21-6-5-8-7-22-10-4-2-1-3-9(8)10/h1-4,7,22H,5-6H2,(H3,18,21,24)(H4,19,20,25,26)",KLPQFGNQLVFZJQ-UHFFFAOYSA-N,C16H17ClN8O,Not Found,372.82,1.52323128,5,8,5,3,HIV-1 TAR,"Amiloride Derivative 7, an RNA-binding scaffold, binds with HIV-1 TAR and inhibit the binding with Tat protein, results inhibition of viral replication. ",28798862,,,,,,"Patwardhan NN, Ganser LR, Kapral GJ, Eubanks CS, Lee J, Sathyamoorthy B, Al-Hashimi HM, Hargrove AE. Amiloride as a new RNA-binding scaffold with activity against HIV-1 TAR. Medchemcomm. 2017 May 1;8(5):1022-1036. doi: 10.1039/C6MD00729E. Epub 2017 Mar 15. PMID: 28798862; PMCID: PMC5546750.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28798862/,,,,,,Not Found,No,No,,,,
DBoRL1794,Amiloride Derivative 8,"3-amino-6-chloro-N-(diaminomethylidene)-5-[(3,4-difluorophenyl)amino]pyrazine-2-carboxamide",NC(N)=NC(=O)c1nc(Cl)c(Nc2ccc(F)c(F)c2)nc1N,"InChI=1S/C12H10ClF2N7O/c13-8-10(19-4-1-2-5(14)6(15)3-4)21-9(16)7(20-8)11(23)22-12(17)18/h1-3H,(H3,16,19,21)(H4,17,18,22,23)",MXUBZPTZGMNQSU-UHFFFAOYSA-N,C12H10ClF2N7O,Not Found,341.71,1.663886485,4,8,3,2,HIV-1 TAR,"Amiloride Derivative 8, an RNA-binding scaffold, binds with HIV-1 TAR and inhibit the binding with Tat protein, results inhibition of viral replication. ",28798862,,,,,,"Patwardhan NN, Ganser LR, Kapral GJ, Eubanks CS, Lee J, Sathyamoorthy B, Al-Hashimi HM, Hargrove AE. Amiloride as a new RNA-binding scaffold with activity against HIV-1 TAR. Medchemcomm. 2017 May 1;8(5):1022-1036. doi: 10.1039/C6MD00729E. Epub 2017 Mar 15. PMID: 28798862; PMCID: PMC5546750.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28798862/,,,,,,Not Found,No,No,,,,
DBoRL1795,Amiloride Derivative 9,"3-amino-5-{[2-(1H-1,3-benzodiazol-2-yl)ethyl]amino}-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide",NC(N)=NC(=O)c1nc(Cl)c(NCCc2nc3ccccc3[nH]2)nc1N,"InChI=1S/C15H16ClN9O/c16-11-13(24-12(17)10(23-11)14(26)25-15(18)19)20-6-5-9-21-7-3-1-2-4-8(7)22-9/h1-4H,5-6H2,(H,21,22)(H3,17,20,24)(H4,18,19,25,26)",XFYURRXBZCWYEZ-UHFFFAOYSA-N,C15H16ClN9O,Not Found,373.81,0.732245453,5,9,5,3,HIV-1 TAR,"Amiloride Derivative 9, an RNA-binding scaffold, binds with HIV-1 TAR and inhibit the binding with Tat protein, results inhibition of viral replication. ",28798862,,,,,,"Patwardhan NN, Ganser LR, Kapral GJ, Eubanks CS, Lee J, Sathyamoorthy B, Al-Hashimi HM, Hargrove AE. Amiloride as a new RNA-binding scaffold with activity against HIV-1 TAR. Medchemcomm. 2017 May 1;8(5):1022-1036. doi: 10.1039/C6MD00729E. Epub 2017 Mar 15. PMID: 28798862; PMCID: PMC5546750.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28798862/,,,,,,Not Found,No,No,,,,
DBoRL1796,"4-(3,5-Difluoro-4-Hydroxybenzyl)-1,2-Dimethyl-1h-Imidazol-5-Ol","4-[(3,5-difluoro-4-hydroxyphenyl)methyl]-1,2-dimethyl-1H-imidazol-5-ol",Cc1nc(Cc2cc(F)c(O)c(F)c2)c(O)n1C,"InChI=1S/C12H12F2N2O2/c1-6-15-10(12(18)16(6)2)5-7-3-8(13)11(17)9(14)4-7/h3-4,17-18H,5H2,1-2H3",MSZRPLCUVKFQJC-UHFFFAOYSA-N,C12H12F2N2O2,Not Found,254.237,1.802066251,2,3,2,2,iSpinach aptamer,"Spinach, an aptamer forming a fluorescent complex with the 3,5-difluoro-4-hydroxybenzylidene imidazolinone (DFHBI). Then through random mutagenesis and ultrahigh-throughput screening, iSpinach was developed which is an improved version of the aptamer, endowed with an increased folding efficiency and thermal stability. iSpinach is a shorter version of Spinach, comprising five mutations. ",28939697,,,,,,"Fernandez-Millan P, Autour A, Ennifar E, Westhof E, Ryckelynck M. Crystal structure and fluorescence properties of the iSpinach aptamer in complex with DFHBI. RNA. 2017 Dec;23(12):1788-1795. doi: 10.1261/rna.063008.117. Epub 2017 Sep 22. PMID: 28939697; PMCID: PMC5689000.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28939697/,,,,,,131633007,No,No,,,,
DBoRL1797,"(5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one","5-[(3,5-difluoro-4-hydroxyphenyl)methyl]-2-[(hydroxyimino)methyl]-3-methylimidazolidin-4-one",CN1C(=O)C(Cc2cc(F)c(O)c(F)c2)NC1C=NO,"InChI=1/C12H13F2N3O3/c1-17-10(5-15-20)16-9(12(17)19)4-6-2-7(13)11(18)8(14)3-6/h2-3,5,9-10,16,18,20H,4H2,1H3",YGNCJXMGJUNTDW-UHFFFAOYNA-N,C12H13F2N3O3,Not Found,285.251,0.691127739,3,5,3,2,Corn RNA aptamer,"3,5-difluoro-4- hydroxybenzylidene-imidazolinone-2-oxime (DFHO) is a cognate ligand of a 28-nucleotide RNA of corn. Corn, a 28-nucleotide RNA (i.e., RNA Aptamer), induces yellow fluorescence of its cognate ligand DHFO by >1000-fold.",28945234,,,,,,"Warner KD, Sjeklo?a L, Song W, Filonov GS, Jaffrey SR, Ferr?-D'Amar? AR. A homodimer interface without base pairs in an RNA mimic of red fluorescent protein. Nat Chem Biol. 2017 Nov;13(11):1195-1201. doi: 10.1038/nchembio.2475. Epub 2017 Sep 25. PMID: 28945234; PMCID: PMC5663454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28945234/,,,,,,Not Found,No,No,,,,
DBoRL1798,Lincomycin,"N-{2-hydroxy-1-[3,4,5-trihydroxy-6-(methylsulfanyl)oxan-2-yl]propyl}-1-methyl-4-propylpyrrolidine-2-carboxamide",CCCC1CC(C(=O)NC(C(C)O)C2OC(SC)C(O)C(O)C2O)N(C)C1,"InChI=1/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)",OJMMVQQUTAEWLP-UHFFFAOYNA-N,C18H34N2O6S,Not Found,406.54,-0.316854216,5,7,7,2,Large ribosomal subunit of Staphylococcus aureus,"Lincosamides targeting the ribosome of Staphylococcus aureu, results stronger inhibition of translation process.",28973455,,,,,,"Matzov D, Eyal Z, Benhamou RI, Shalev-Benami M, Halfon Y, Krupkin M, Zimmerman E, Rozenberg H, Bashan A, Fridman M, Yonath A. Structural insights of lincosamides targeting the ribosome of Staphylococcus aureus. Nucleic Acids Res. 2017 Sep 29;45(17):10284-10292. doi: 10.1093/nar/gkx658. PMID: 28973455; PMCID: PMC5622323.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28973455/,,,,,,3928,Yes,Yes,Vet_approved,DB01627,https://go.drugbank.com/drugs/DB01627,
DBoRL1799,Aminoguanidine,N''-aminoguanidine,NN=C(N)N,"InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)",HAMNKKUPIHEESI-UHFFFAOYSA-N,CH6N4,79-17-4,74.087,-1.533314708,3,4,0,0,thermobifida fusca guanidine III riboswitch,"Aminoguanidine binds with Thermobifida fusca guanidine III riboswitch and make some structural changes. The compound binds with Thermobifida fusca guanidine III riboswitch (a structural elements found in mRNA molecules) to regulate gene expression, usually by controlling transcription or translation.",28988949,,,,,,"Huang L, Wang J, Wilson TJ, Lilley DMJ. Structure of the Guanidine III Riboswitch. Cell Chem Biol. 2017 Nov 16;24(11):1407-1415.e2. doi: 10.1016/j.chembiol.2017.08.021. Epub 2017 Oct 5. PMID: 28988949; PMCID: PMC5696562.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28988949/,,,,,,2146,No,No,,,,
DBoRL1800,Chlorolissoclimide,"3-[2-(7-chloro-3-hydroxy-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)-1-hydroxyethyl]pyrrolidine-2,5-dione",C=C1C(O)CC2C(C)(C)CC(Cl)CC2(C)C1CC(O)C1CC(=O)NC1=O,"InChI=1/C20H30ClNO4/c1-10-13(6-15(24)12-5-17(25)22-18(12)26)20(4)9-11(21)8-19(2,3)16(20)7-14(10)23/h11-16,23-24H,1,5-9H2,2-4H3,(H,22,25,26)",LCBZIVZSFYGPBC-UHFFFAOYNA-N,C20H30ClNO4,Not Found,383.91,1.372407338,3,4,3,3,yeast 80S ribosome,Chlorolissoclimide interact with the eukaryotic 80S ribosome. Chlorolissoclimide shares a binding site with other imide-based natural product translation inhibitors. Chlorolissoclimide engages in a particularly interesting and novel face-on halogen-? interaction between the ligand?s alkyl chloride and a guanine residue. Chlorolissoclimide has the protein synthesis inhibitory activity. The translation inhibition activity of chlorolissoclimide can be attributed to its binding at the LSU ribosomal E-site that features novel attractive interactions,29064494,,,,,,"K?nst ZA, Szklarski AR, Pellegrino S, Michalak SE, Meyer M, Zanette C, Cencic R, Nam S, Voora VK, Horne DA, Pelletier J, Mobley DL, Yusupova G, Yusupov M, Vanderwal CD. Synthesis facilitates an understanding of the structural basis for translation inhibition by the lissoclimides. Nat Chem. 2017 Nov;9(11):1140-1149. doi: 10.1038/nchem.2800. Epub 2017 Jul 3. PMID: 29064494; PMCID: PMC6021127.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29064494/,,,,,,74052655,No,No,,,,
DBoRL1801,6-N-Hydroxylaminopurine,N-(7H-purin-6-yl)hydroxylamine,ONc1ncnc2nc[nH]c12,"InChI=1S/C5H5N5O/c11-10-5-3-4(7-1-6-3)8-2-9-5/h1-2,11H,(H2,6,7,8,9,10)",CBCQWVQNMGNYEO-UHFFFAOYSA-N,C5H5N5O,5667-20-9,151.129,-0.236274368,3,5,1,2,Guanine riboswitch,6-N-hydroxyl-aminopurine acts by binding to and inhibiting the Guanine riboswitch thus interfering with mRNA translation.,29097169,,,,,,"Rizvi NF, Smith GF. RNA as a small molecule druggable target. Bioorg Med Chem Lett. 2017 Dec 1;27(23):5083-5088. doi: 10.1016/j.bmcl.2017.10.052. Epub 2017 Oct 23. PMID: 29097169.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29097169/,,,,,,21876,No,No,,,,
DBoRL1802,Branaplam,"5-(1H-pyrazol-4-yl)-2-{6-[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]pyridazin-3-yl}phenol",CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1,"InChI=1S/C22H27N5O2/c1-21(2)10-16(11-22(3,4)27-21)29-20-8-7-18(25-26-20)17-6-5-14(9-19(17)28)15-12-23-24-13-15/h5-9,12-13,16,27-28H,10-11H2,1-4H3,(H,23,24)",STWTUEAWRAIWJG-UHFFFAOYSA-N,C22H27N5O2,1562338-42-4,393.491,1.799288169,3,6,4,4,SMN ELISA,Branaplam targeting RNA splicing disorders.,29097169,,,,,,"Rizvi NF, Smith GF. RNA as a small molecule druggable target. Bioorg Med Chem Lett. 2017 Dec 1;27(23):5083-5088. doi: 10.1016/j.bmcl.2017.10.052. Epub 2017 Oct 23. PMID: 29097169.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29097169/,,,,,,135565042,Yes,No,Investigational,DB14918,https://go.drugbank.com/drugs/DB14918,
DBoRL1803,PF-06446846,"N-(3-chloropyridin-2-yl)-N-(piperidin-3-yl)-4-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzamide",O=C(c1ccc(-n2nnc3cccnc32)cc1)N(c1ncccc1Cl)C1CCCNC1,"InChI=1/C22H20ClN7O/c23-18-5-2-12-25-20(18)29(17-4-1-11-24-14-17)22(31)15-7-9-16(10-8-15)30-21-19(27-28-30)6-3-13-26-21/h2-3,5-10,12-13,17,24H,1,4,11,14H2",FDTXHWQFIXYHCL-UHFFFAOYNA-N,C22H20ClN7O,Not Found,433.9,3.27064809,1,6,4,5,Ribosome,"PF-06446846 (a small molecule), directly inhibits translation of the protein, proprotein convertase subtilisin/kexin type 9 (PCSK9), by acting on the human ribosome. PF-06446846 causes the translating ribosome to stall soon after translating the PCSK9 signal sequence. It is unclear ultimately how selective such protein synthesis inhibition.",29097169,,,,,,"Rizvi NF, Smith GF. RNA as a small molecule druggable target. Bioorg Med Chem Lett. 2017 Dec 1;27(23):5083-5088. doi: 10.1016/j.bmcl.2017.10.052. Epub 2017 Oct 23. PMID: 29097169.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29097169/,,,,,,123336044,No,No,,,,
DBoRL1804,RG7800,"2-{4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl}-9-methyl-7-(1-methylpiperidin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one",CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)cc(C)c4n3)cc12,"InChI=1S/C24H28N6O/c1-5-19-22-11-21(27-30(22)13-16(3)25-19)20-12-23(31)29-14-18(10-15(2)24(29)26-20)17-6-8-28(4)9-7-17/h10-14,17H,5-9H2,1-4H3",GYFRQCMDLBNZSF-UHFFFAOYSA-N,C24H28N6O,1449598-06-4,416.529,2.110965298,0,5,3,5,SMN ELISA,RG7800 targeting RNA splicing disorders.,29097169,,,,,,"Rizvi NF, Smith GF. RNA as a small molecule druggable target. Bioorg Med Chem Lett. 2017 Dec 1;27(23):5083-5088. doi: 10.1016/j.bmcl.2017.10.052. Epub 2017 Oct 23. PMID: 29097169.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29097169/,,,,,,89741565,No,No,,,,
DBoRL1805,Ribocil B,"2-(1-{[2-(methylamino)pyrimidin-5-yl]methyl}piperidin-3-yl)-6-(thiophen-2-yl)-3,4-dihydropyrimidin-4-one",CNc1ncc(CN2CCCC(c3nc(-c4cccs4)cc(=O)[nH]3)C2)cn1,"InChI=1/C19H22N6OS/c1-20-19-21-9-13(10-22-19)11-25-6-2-4-14(12-25)18-23-15(8-17(26)24-18)16-5-3-7-27-16/h3,5,7-10,14H,2,4,6,11-12H2,1H3,(H,20,21,22)(H,23,24,26)",ZSXCVAIJFUEGJR-UHFFFAOYNA-N,C19H22N6OS,Not Found,382.49,1.159478495,2,6,5,4,FMN riboswitch,Ribocil B acts by binding to and inhibiting the FMN riboswitch thus interfering with mRNA translation.,29097169,,,,,,"Rizvi NF, Smith GF. RNA as a small molecule druggable target. Bioorg Med Chem Lett. 2017 Dec 1;27(23):5083-5088. doi: 10.1016/j.bmcl.2017.10.052. Epub 2017 Oct 23. PMID: 29097169.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29097169/,,,,,,136881500,No,No,,,,
DBoRL1806,Ro5-3335,"7-chloro-5-(1H-pyrrol-2-yl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one",O=C1CN=C(c2ccc[nH]2)c2cc(Cl)ccc2N1,"InChI=1S/C13H10ClN3O/c14-8-3-4-10-9(6-8)13(11-2-1-5-15-11)16-7-12(18)17-10/h1-6,15H,7H2,(H,17,18)",XWNMORIHKRROGW-UHFFFAOYSA-N,C13H10ClN3O,30195-30-3,259.69,2.211905735,2,2,1,3,Tat HIV TAR RNA,Ro5-3335 (a small molecule) is an inhibitor of Tat protein binding to HIV transactivating response (TAR) RNA. Ro5-3335 selectively inhibits Tat transactivation in HIV.,29097169,,,,,,"Rizvi NF, Smith GF. RNA as a small molecule druggable target. Bioorg Med Chem Lett. 2017 Dec 1;27(23):5083-5088. doi: 10.1016/j.bmcl.2017.10.052. Epub 2017 Oct 23. PMID: 29097169.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29097169/,,,,,,64983,No,No,,,,
DBoRL1807,lig3,2-amino-3-(2-aminoethanesulfonyl)propanoic acid,NCCS(=O)(=O)CC(N)C(=O)O,"InChI=1/C5H12N2O4S/c6-1-2-12(10,11)3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)",FOEVJZXMXCBPQH-UHFFFAOYNA-N,C5H12N2O4S,Not Found,196.22,-5.414594275,3,6,5,0,Lysine riboswitch ,The compound acts by binding to and inhibiting the lysine riboswitch thus interfering with mRNA translation.,29097169,,,,,,"Rizvi NF, Smith GF. RNA as a small molecule druggable target. Bioorg Med Chem Lett. 2017 Dec 1;27(23):5083-5088. doi: 10.1016/j.bmcl.2017.10.052. Epub 2017 Oct 23. PMID: 29097169.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29097169/,,,,,,23422725,No,No,,,,
DBoRL1808,Schneekloth 1,"3-amino-6-methyl-N-(pyridin-4-yl)thieno[2,3-b]pyridine-2-carboxamide",Cc1ccc2c(N)c(C(=O)Nc3ccncc3)sc2n1,"InChI=1S/C14H12N4OS/c1-8-2-3-10-11(15)12(20-14(10)17-8)13(19)18-9-4-6-16-7-5-9/h2-7H,15H2,1H3,(H,16,18,19)",HITYRCMDYJDGNU-UHFFFAOYSA-N,C14H12N4OS,Not Found,284.34,1.958156254,2,4,2,3,HIV TAR element,The compound is capable to bind with HIV transactivating response (TAR) RNA and inhibit it?s function.,29097169,,,,,,"Rizvi NF, Smith GF. RNA as a small molecule druggable target. Bioorg Med Chem Lett. 2017 Dec 1;27(23):5083-5088. doi: 10.1016/j.bmcl.2017.10.052. Epub 2017 Oct 23. PMID: 29097169.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29097169/,,,,,,23914319,No,No,,,,
DBoRL1809,Schneekloth 2,"6-methyl-2-{5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}thieno[2,3-b]pyridin-3-amine",Cc1ccc2c(N)c(-c3nnc(-c4cccc(C(F)(F)F)c4)o3)sc2n1,"InChI=1S/C17H11F3N4OS/c1-8-5-6-11-12(21)13(26-16(11)22-8)15-24-23-14(25-15)9-3-2-4-10(7-9)17(18,19)20/h2-7H,21H2,1H3",VCEBNKMFMXBIEO-UHFFFAOYSA-N,C17H11F3N4OS,Not Found,376.36,3.207039247,1,4,3,4,HIV TAR element,The compound is capable to bind with HIV transactivating response (TAR) RNA and inhibit it?s function.,29097169,,,,,,"Rizvi NF, Smith GF. RNA as a small molecule druggable target. Bioorg Med Chem Lett. 2017 Dec 1;27(23):5083-5088. doi: 10.1016/j.bmcl.2017.10.052. Epub 2017 Oct 23. PMID: 29097169.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29097169/,,,,,,129908768,No,No,,,,
DBoRL1810,Schneekloth 3,4-[(azepan-1-yl)methyl]-5-hydroxy-2-methyl-N-(4-methylphenyl)-1-benzofuran-3-carboxamide,Cc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CCCCCC4)c23)cc1,"InChI=1S/C24H28N2O3/c1-16-7-9-18(10-8-16)25-24(28)22-17(2)29-21-12-11-20(27)19(23(21)22)15-26-13-5-3-4-6-14-26/h7-12,27H,3-6,13-15H2,1-2H3,(H,25,28)",WHZKKSJWHVBOII-UHFFFAOYSA-N,C24H28N2O3,880440-91-5,392.499,3.588727863,2,3,4,4,myc G Quadruplex,The compound targets G-quadruplexes and Ribosomal Synthesis. ,29097169,,,,,,"Rizvi NF, Smith GF. RNA as a small molecule druggable target. Bioorg Med Chem Lett. 2017 Dec 1;27(23):5083-5088. doi: 10.1016/j.bmcl.2017.10.052. Epub 2017 Oct 23. PMID: 29097169.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29097169/,,,,,,7540297,No,No,,,,
DBoRL1811,Chlortetracycline,"7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide",CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4C(C)(O)C3CC12,"InChI=1/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26-27,30,32-33H,6H2,1-3H3,(H2,24,31)",DHPRQBPJLMKORJ-UHFFFAOYNA-N,C22H23ClN2O8,Not Found,478.88,-3.234866848,6,9,2,4,16S ribosomal RNA,Chlortetracycline binds with 16S ribosomal RNA and inhibit the initiation of protein synthesis process.,29126136,,,,,,"Wishart DS, Feunang YD, Guo AC, Lo EJ, Marcu A, Grant JR, Sajed T, Johnson D, Li C, Sayeeda Z, Assempour N, Iynkkaran I, Liu Y, Maciejewski A, Gale N, Wilson A, Chin L, Cummings R, Le D, Pon A, Knox C, Wilson M. DrugBank 5.0: a major update to the DrugBank database for 2018. Nucleic Acids Res. 2017 Nov 8. doi: 10.1093/nar/gkx1037.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29126136/,,,,,,54677440,Yes,Yes,Investigational Vet_approved,DB09093,https://go.drugbank.com/drugs/DB09093,This is the isomeric form of the drug approved by USFDA.
DBoRL1812,Myricetin,"3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",IKMDFBPHZNJCSN-UHFFFAOYSA-N,C15H10O8,529-44-2,318.237,1.852734142,6,8,1,3,CAG repeat RNA that causes Huntington's Disease (HD) and Spinocerebellar Ataxia (SCAs),"CAG repeats are found in HTT gene & abnormal expansion of this repeats results Huntington's disease (HD) and Spinocerebellar Ataxia (SCAs). The transcribed mutant RNA contains expanded CAG repeats that translate into a mutant huntingtin protein. This expanded CAG repeat also causes mis-splicing of premRNA due to sequestration of muscle blind like-1 splicing factor (MBNL1) and thus both of these elicits the pathogenesis of HD. Myricetin, a flavonoid, interacts with CAG motif and thus prevents the translation of mutant huntingtin protein as well as sequestration of MBNL1.",29172480,,,,,,"Khan E, Tawani A, Mishra SK, Verma AK, Upadhyay A, Kumar M, Sandhir R, Mishra A, Kumar A. Myricetin Reduces Toxic Level of CAG Repeats RNA in Huntington's Disease (HD) and Spino Cerebellar Ataxia (SCAs). ACS Chem Biol. 2018 Jan 19;13(1):180-188. doi: 10.1021/acschembio.7b00699. Epub 2017 Dec 18. PMID: 29172480.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29172480/,,,,,,5281672,Yes,No,Experimental,DB02375,https://go.drugbank.com/drugs/DB02375,
DBoRL1813,5'-O-[(S)-Hydroxy(4-Methyl-1h-Imidazol-5-Yl)phosphoryl]guanosine,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(5-methyl-1H-imidazol-4-yl)phosphinic acid",Cc1[nH]cnc1P(=O)(O)OCC1OC(n2cnc3c(=O)[nH]c(N)nc32)C(O)C1O,"InChI=1/C14H18N7O7P/c1-5-12(17-3-16-5)29(25,26)27-2-6-8(22)9(23)13(28-6)21-4-18-7-10(21)19-14(15)20-11(7)24/h3-4,6,8-9,13,22-23H,2H2,1H3,(H,16,17)(H,25,26)(H3,15,19,20,24)",MUFMHNGPMISZRD-UHFFFAOYNA-N,C14H18N7O7P,Not Found,427.314,-5.799759829,6,10,5,4,RNA hairpin structure,"RNA hairpin structure has the ability to bind with synthesized nonhydrolyzable substrate analogue, 5'-O-[(S)-Hydroxy(4-Methyl-1h-Imidazol-5-Yl)phosphoryl]guanosine & form a complex. The compound mimics 2-methylimidazole activated guanosine-5?-phosphate (2-MeImpG), a commonly used substrate in nonenzymatic primer extension experiments.",29411978,,,,,,"Zhang W, Tam CP, Zhou L, Oh SS, Wang J, Szostak JW. Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide. J Am Chem Soc. 2018 Feb 28;140(8):2829-2840. doi: 10.1021/jacs.7b11750. Epub 2018 Feb 13. PMID: 29411978; PMCID: PMC6326529.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29411978/,,,,,,Not Found,No,No,,,,
DBoRL1814,"(1S,2S,3R,4S,6R)-4,6-Diamino-3-{[(2S,3R)-3-amino-6-(fluoromethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside","2-[(4,6-diamino-3-{[3-amino-6-(fluoromethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diol",CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CF)=CCC3N)C2O)OCC1(C)O,"InChI=1/C19H35FN4O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,21-23H2,1-2H3",WYTHUXIFAFNYLB-UHFFFAOYNA-N,C19H35FN4O7,Not Found,450.508,-3.32059398,7,11,6,3,protozoal cytoplasmic ribosomal decoding site,The compound binds with protozoal cytoplasmic ribosomal decoding site and thereby interfere with the accuracy of protein synthesis. ,29766661,,,,,,"Kanazawa H, Saavedra OM, Maianti JP, Young SA, Izquierdo L, Smith TK, Hanessian S, Kondo J. Structure-Based Design of a Eukaryote-Selective Antiprotozoal Fluorinated Aminoglycoside. ChemMedChem. 2018 Aug 10;13(15):1541-1548. doi: 10.1002/cmdc.201800166. Epub 2018 Jul 4. PMID: 29766661.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29766661/,,,,,,Not Found,No,No,,,,
DBoRL1815,"1-Methyl-4-[(1E)-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-1-yl]quinolin-1-ium","1-methyl-4-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-1-yl]quinolin-1-ium",C[n+]1ccc(C=CCc2sc3ccccc3[n+]2C)c2ccccc21,"InChI=1S/C21H20N2S/c1-22-15-14-16(17-9-3-4-10-18(17)22)8-7-13-21-23(2)19-11-5-6-12-20(19)24-21/h3-12,14-15H,13H2,1-2H3/q+2",BUHZEFGMJCIGHQ-UHFFFAOYSA-N,C21H20N2S,Not Found,332.46,-3.850051982,0,0,3,4,Mango-II Fluorescent Aptamer,"Several RNA aptamers (like Mango-II RNA) that bind small molecules (like 1-Methyl-4-[(1E)-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-1-yl]quinolin-1-ium) and enhance their fluorescence. These type of small molecules used to tag and track RNAs in vivo. Please see the reference for more details.",29768001,,,,,,"Trachman RJ 3rd, Abdolahzadeh A, Andreoni A, Cojocaru R, Knutson JR, Ryckelynck M, Unrau PJ, Ferr?-D'Amar? AR. Crystal Structures of the Mango-II RNA Aptamer Reveal Heterogeneous Fluorophore Binding and Guide Engineering of Variants with Improved Selectivity and Brightness. Biochemistry. 2018 Jul 3;57(26):3544-3548. doi: 10.1021/acs.biochem.8b00399. Epub 2018 May 24. PMID: 29768001; PMCID: PMC6315298.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29768001/,,,,,,Not Found,No,No,,,,
DBoRL1816,"N-(2-Methoxyethyl)-2-[2-[(1-methylquinolin-1-ium-4-yl)methyl]-1,3-benzothiazol-3-ium-3-yl]acetamide","4-[(3-{[(2-methoxyethyl)carbamoyl]methyl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium",COCCNC(=O)C[n+]1c(Cc2cc[n+](C)c3ccccc23)sc2ccccc21,"InChI=1S/C23H24N3O2S/c1-25-13-11-17(18-7-3-4-8-19(18)25)15-23-26(16-22(27)24-12-14-28-2)20-9-5-6-10-21(20)29-23/h3-11,13H,12,14-16H2,1-2H3/q+1/p+1",WEFGJTSJMBBARG-UHFFFAOYSA-O,C23H25N3O2S,Not Found,407.53,-5.612226403,1,2,7,4,Mango-II Fluorescent Aptamer,"Several RNA aptamers (like Mango-II RNA) that bind small molecules (like N-(2-Methoxyethyl)-2-[2-[(1-methylquinolin-1-ium-4-yl)methyl]-1,3-benzothiazol-3-ium-3-yl]acetamide) and enhance their fluorescence. These type of small molecules used to tag and track RNAs in vivo. Please see the reference for more details.",29768001,,,,,,"Trachman RJ 3rd, Abdolahzadeh A, Andreoni A, Cojocaru R, Knutson JR, Ryckelynck M, Unrau PJ, Ferr?-D'Amar? AR. Crystal Structures of the Mango-II RNA Aptamer Reveal Heterogeneous Fluorophore Binding and Guide Engineering of Variants with Improved Selectivity and Brightness. Biochemistry. 2018 Jul 3;57(26):3544-3548. doi: 10.1021/acs.biochem.8b00399. Epub 2018 May 24. PMID: 29768001; PMCID: PMC6315298.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29768001/,,,,,,137349259,No,No,,,,
DBoRL1817,5'-O-[(R)-(2-Amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]guanosine,"(2-amino-1H-imidazol-1-yl)({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid",Nc1nc2c(ncn2C2OC(COP(=O)(O)n3ccnc3N)C(O)C2O)c(=O)[nH]1,"InChI=1/C13H17N8O7P/c14-12-18-9-6(10(24)19-12)17-4-20(9)11-8(23)7(22)5(28-11)3-27-29(25,26)21-2-1-16-13(21)15/h1-2,4-5,7-8,11,22-23H,3H2,(H2,15,16)(H,25,26)(H3,14,18,19,24)",UJFHHYLHXPKINK-UHFFFAOYNA-N,C13H17N8O7P,Not Found,428.302,-5.592538096,6,11,5,4,RNA-activated 2-AIpG monomer complex,5'-O-[(R)-(2-Amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]guanosine is a compound that is responsible for nonenzymatic RNA primer extension.,29851379,,,,,,"Zhang W, Walton T, Li L, Szostak JW. Crystallographic observation of nonenzymatic RNA primer extension. Elife. 2018 May 31;7:e36422. doi: 10.7554/eLife.36422. PMID: 29851379; PMCID: PMC5980232.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29851379/,,,,,,Not Found,No,No,,,,
DBoRL1818,"10-(6-Carboxyhexyl)-8-(cyclopentylamino)-2,4-dihydroxy-7-methylbenzo[g]pteridin-10-ium","10-(6-carboxyhexyl)-8-(cyclopentylamino)-7-methyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-10-ium",Cc1cc2nc3c(=O)[nH]c(=O)[nH]c3[n+](CCCCCCC(=O)O)c2cc1NC1CCCC1,"InChI=1S/C23H29N5O4/c1-14-12-17-18(13-16(14)24-15-8-5-6-9-15)28(11-7-3-2-4-10-19(29)30)21-20(25-17)22(31)27-23(32)26-21/h12-13,15H,2-11H2,1H3,(H3,24,26,27,29,30,31,32)/p+1",AJTKEKBUVMMJJR-UHFFFAOYSA-O,C23H30N5O4,Not Found,440.523,-0.872790121,4,6,9,4,FMN RIBOSWITCH,"The flavin mononucleotide (FMN) riboswitch is structured noncoding RNA domains that control gene expression by selectively binding FMN or sensing surrounding changes without protein factors, which are involved in the biosynthesis and transport of riboflavin and related compounds. The compound i.e., 10-(6-Carboxyhexyl)-8-(cyclopentylamino)-2,4-dihydroxy-7-methylbenzo[g]pteridin-10-ium targets FMN riboswitch in bacteria.",30107111,,,,,,"Vicens Q, Mondrag?n E, Reyes FE, Coish P, Aristoff P, Berman J, Kaur H, Kells KW, Wickens P, Wilson J, Gadwood RC, Schostarez HJ, Suto RK, Blount KF, Batey RT. Structure-Activity Relationship of Flavin Analogues That Target the Flavin Mononucleotide Riboswitch. ACS Chem Biol. 2018 Oct 19;13(10):2908-2919. doi: 10.1021/acschembio.8b00533. Epub 2018 Sep 20. PMID: 30107111; PMCID: PMC6874366.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30107111/,,,,,,134812684,No,No,,,,
DBoRL1819,"7,8-Dimethyl-2,4-dioxo-10-(3-phenylpropyl)-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium","7,8-dimethyl-2,4-dioxo-10-(3-phenylpropyl)-1H,2H,3H,4H-benzo[g]pteridin-10-ium",Cc1cc2nc3c(=O)[nH]c(=O)[nH]c3[n+](CCCc3ccccc3)c2cc1C,"InChI=1S/C21H20N4O2/c1-13-11-16-17(12-14(13)2)25(10-6-9-15-7-4-3-5-8-15)19-18(22-16)20(26)24-21(27)23-19/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H,24,26,27)/p+1",LVUMBLZQGDFTPC-UHFFFAOYSA-O,C21H21N4O2,Not Found,361.424,0.38264967,2,3,4,4,FMN RIBOSWITCH,"The flavin mononucleotide (FMN) riboswitch is structured noncoding RNA domains that control gene expression by selectively binding FMN or sensing surrounding changes without protein factors, which are involved in the biosynthesis and transport of riboflavin and related compounds. The compound i.e., 7,8-Dimethyl-2,4-dioxo-10-(3-phenylpropyl)-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium targets FMN riboswitch in bacteria.",30107111,,,,,,"Vicens Q, Mondrag?n E, Reyes FE, Coish P, Aristoff P, Berman J, Kaur H, Kells KW, Wickens P, Wilson J, Gadwood RC, Schostarez HJ, Suto RK, Blount KF, Batey RT. Structure-Activity Relationship of Flavin Analogues That Target the Flavin Mononucleotide Riboswitch. ACS Chem Biol. 2018 Oct 19;13(10):2908-2919. doi: 10.1021/acschembio.8b00533. Epub 2018 Sep 20. PMID: 30107111; PMCID: PMC6874366.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30107111/,,,,,,134812686,No,No,,,,
DBoRL1820,"4-[Benzyl-[2-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)ethyl]amino]butanoic acid","4-[benzyl(2-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}ethyl)amino]butanoic acid",Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCN(CCCC(=O)O)Cc3ccccc3)c2cc1C,"InChI=1S/C25H27N5O4/c1-16-13-19-20(14-17(16)2)30(23-22(26-19)24(33)28-25(34)27-23)12-11-29(10-6-9-21(31)32)15-18-7-4-3-5-8-18/h3-5,7-8,13-14H,6,9-12,15H2,1-2H3,(H,31,32)(H,28,33,34)",UHJZDXGBGFJXSS-UHFFFAOYSA-N,C25H27N5O4,Not Found,461.522,0.617668863,2,8,9,4,FMN RIBOSWITCH,"The flavin mononucleotide (FMN) riboswitch is structured noncoding RNA domains that control gene expression by selectively binding FMN or sensing surrounding changes without protein factors, which are involved in the biosynthesis and transport of riboflavin and related compounds. The compound i.e., 4-[Benzyl-[2-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)ethyl]amino]butanoic acid targets FMN riboswitch in bacteria.",30107111,,,,,,"Vicens Q, Mondrag?n E, Reyes FE, Coish P, Aristoff P, Berman J, Kaur H, Kells KW, Wickens P, Wilson J, Gadwood RC, Schostarez HJ, Suto RK, Blount KF, Batey RT. Structure-Activity Relationship of Flavin Analogues That Target the Flavin Mononucleotide Riboswitch. ACS Chem Biol. 2018 Oct 19;13(10):2908-2919. doi: 10.1021/acschembio.8b00533. Epub 2018 Sep 20. PMID: 30107111; PMCID: PMC6874366.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30107111/,,,,,,71538339,No,No,,,,
DBoRL1821,"(5z)-5-(3-Bromobenzylidene)-2,3-Dimethyl-3,5-Dihydro-4h-Imidazol-4-One","4-[(3-bromophenyl)methylidene]-1,2-dimethyl-4,5-dihydro-1H-imidazol-5-one",CC1=NC(=Cc2cccc(Br)c2)C(=O)N1C,"InChI=1S/C12H11BrN2O/c1-8-14-11(12(16)15(8)2)7-9-4-3-5-10(13)6-9/h3-7H,1-2H3",GMGJCAXSTZCSRA-UHFFFAOYSA-N,C12H11BrN2O,Not Found,279.137,2.016138495,0,2,1,2,RNA aptamer,"The flavin mononucleotide (FMN) riboswitch is structured noncoding RNA domains that control gene expression by selectively binding FMN or sensing surrounding changes without protein factors, which are involved in the biosynthesis and transport of riboflavin and related compounds. The compound i.e., (5z)-5-(3-Bromobenzylidene)-2,3-Dimethyl-3,5-Dihydro-4h-Imidazol-4-One targets FMN riboswitch in bacteria.",30107111,,,,,,"Vicens Q, Mondrag?n E, Reyes FE, Coish P, Aristoff P, Berman J, Kaur H, Kells KW, Wickens P, Wilson J, Gadwood RC, Schostarez HJ, Suto RK, Blount KF, Batey RT. Structure-Activity Relationship of Flavin Analogues That Target the Flavin Mononucleotide Riboswitch",,,,,,https://pubmed.ncbi.nlm.nih.gov/30107111/,,,,,,Not Found,No,No,,,,
DBoRL1822,alpha-Phosphoribosylpyrophosphoric Acid,"{[({3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}oxy)(hydroxy)phosphoryl]oxy}phosphonic acid",O=P(O)(O)OCC1OC(OP(=O)(O)OP(=O)(O)O)C(O)C1O,"InChI=1/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)",PQGCEDQWHSBAJP-UHFFFAOYNA-N,C5H13O14P3,Not Found,390.066,-2.971134818,7,11,7,1,PRPP Riboswitch,"Phosphoribosyl pyrophosphate (PRPP) riboswitch detects PRPP, which is a building block for RNA. Due to binding of alpha-Phosphoribosylpyrophosphoric acid with PRPP riboswitch, PRPP riboswitch unable to detect PRPP. Hence, the stable RNA formation get affected.",30120360,,,,,,"Peselis A, Serganov A. ykkC riboswitches employ an add-on helix to adjust specificity for polyanionic ligands. Nat Chem Biol. 2018 Sep;14(9):887-894. doi: 10.1038/s41589-018-0114-4. Epub 2018 Aug 17. PMID: 30120360; PMCID: PMC6263941.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30120360/,,,,,,1041,Yes,Yes,Experimental Investigational,DB01632,https://go.drugbank.com/drugs/DB01632,
DBoRL1823,"Guanosine-5',3'-tetraphosphate","[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-4-hydroxy-3-{[hydroxy(phosphonooxy)phosphoryl]oxy}oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid",Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)O)C2O)c(=O)[nH]1,"InChI=1/C10H17N5O17P4/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(30-36(26,27)32-34(21,22)23)3(29-9)1-28-35(24,25)31-33(18,19)20/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)",BUFLLCUFNHESEH-UHFFFAOYNA-N,C10H17N5O17P4,Not Found,603.159,-3.796947217,9,16,10,3,ppGpp Riboswitch,"ppGpp riboswitch binds to polyanionic molecule guanosine-5',3'-tetraphosphate (ppGpp). ppGpp is a well-known alarmone produced during various stresses including stringent response, which is caused by a shortage of amino acids11. ppGpp acts on many levels and affects replication, transcription, and translation12. ppGpp riboswitches control genes involved in biosynthesis and transport of branched-chain amino acids and genes encoding glutamate synthase and ABC transporters7. ppGpp riboswitches often occur near T-boxes and constitute a two-input AND logic gate that is activated under nutrient starvation by the simultaneous presence of uncharged tRNA and ppGpp.",30120360,,,,,,"Peselis A, Serganov A. ykkC riboswitches employ an add-on helix to adjust specificity for polyanionic ligands. Nat Chem Biol. 2018 Sep;14(9):887-894. doi: 10.1038/s41589-018-0114-4. Epub 2018 Aug 17. PMID: 30120360; PMCID: PMC6263941.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30120360/,,,,,,135402035,No,No,,,,
DBoRL1824,Arcaine,N''-{4-[(diaminomethylidene)amino]butyl}guanidine,NC(N)=NCCCCN=C(N)N,"InChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)",HGMDNMBBCKDWTQ-UHFFFAOYSA-N,C6H16N6,544-05-8,172.236,-1.620528432,4,6,5,0,G. violaceus guanidine II riboswitch P2 stem-loop,"Arcaine is a ligand for guanidine-II riboswitch that bind with enhanced affinity, exploiting the twin binding sites created by loop-loop interaction. Please see the reference for details mode of action.",30609994,,,,,,"Huang L, Wang J, Wilson TJ, Lilley DMJ. Structure-guided design of a high-affinity ligand for a riboswitch. RNA. 2019 Apr;25(4):423-430. doi: 10.1261/rna.069567.118. Epub 2019 Jan 4. PMID: 30609994; PMCID: PMC6426286.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30609994/,,,,,,2227,No,No,,,,
DBoRL1825,Audouine,N''-{5-[(diaminomethylidene)amino]pentyl}guanidine,NC(N)=NCCCCCN=C(N)N,"InChI=1S/C7H18N6/c8-6(9)12-4-2-1-3-5-13-7(10)11/h1-5H2,(H4,8,9,12)(H4,10,11,13)",FIHKQNOFFQZHRM-UHFFFAOYSA-N,C7H18N6,1157912,186.263,-1.175959767,4,6,6,0,G. violaceus guanidine II riboswitch P2 stem-loop,"Audouine is a ligand for guanidine-II riboswitch that bind with enhanced affinity, exploiting the twin binding sites created by loop-loop interaction. Please see the reference for details mode of action.",30609994,,,,,,"Huang L, Wang J, Wilson TJ, Lilley DMJ. Structure-guided design of a high-affinity ligand for a riboswitch. RNA. 2019 Apr;25(4):423-430. doi: 10.1261/rna.069567.118. Epub 2019 Jan 4. PMID: 30609994; PMCID: PMC6426286.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30609994/,,,,,,42788,No,No,,,,
DBoRL1826,N-Ethylguanidine,"9-(2,4-dicarboxyphenyl)-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)c1ccc2c(-c3ccc(C(=O)O)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1,"InChI=1S/C25H22N2O5/c1-26(2)15-6-9-18-21(12-15)32-22-13-16(27(3)4)7-10-19(22)23(18)17-8-5-14(24(28)29)11-20(17)25(30)31/h5-13H,1-4H3,(H-,28,29,30,31)/p+1",YMZMTOFQCVHHFB-UHFFFAOYSA-O,C25H23N2O5,Not Found,431.467,-0.289819208,2,6,3,4,G. violaceus guanidine II riboswitch P2 stem-loop,"N-Ethylguanidine is a ligand for guanidine-II riboswitch that bind with enhanced affinity, exploiting the twin binding sites created by loop-loop interaction. Please see the reference for details mode of action.",30609994,,,,,,"Huang L, Wang J, Wilson TJ, Lilley DMJ. Structure-guided design of a high-affinity ligand for a riboswitch. RNA. 2019 Apr;25(4):423-430. doi: 10.1261/rna.069567.118. Epub 2019 Jan 4. PMID: 30609994; PMCID: PMC6426286.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30609994/,,,,,,2762603,No,No,,,,
DBoRL1827,2-(N-Morpholino)-ethanesulfonic acid,4-(2-sulfonatoethyl)morpholin-4-ium,O=S(=O)([O-])CC[NH+]1CCOCC1,"InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)",SXGZJKUKBWWHRA-UHFFFAOYSA-N,C6H13NO4S,"4432-31-9,113834-12-1,128655-00-5,134549-01-2,137796-01-1",195.23,-2.485973911,1,4,3,1,class I PreQ1 riboswitch,"2-(N-Morpholino)-ethanesulfonic acid is a synthetic ligand for PreQ1 riboswitches, targets RNA tertiary structure. The ligands share a binding site with the cognate ligand but make different contacts. Alteration of the chemical structure of the ligand causes changes in the mode of RNA binding and affects regulatory function.",30940810,,,,,,"Connelly CM, Numata T, Boer RE, Moon MH, Sinniah RS, Barchi JJ, Ferr?-D'Amar? AR, Schneekloth JS Jr. Synthetic ligands for PreQ1 riboswitches provide structural and mechanistic insights into targeting RNA tertiary structure. Nat Commun. 2019 Apr 2;10(1):1501. doi: 10.1038/s41467-019-09493-3. PMID: 30940810; PMCID: PMC6445138.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30940810/,,,,,,78165,Yes,No,Experimental,DB03814,https://go.drugbank.com/drugs/DB03814,
DBoRL1828,"2-[(9H-Carbazol-3-yl)oxy]-N,N-dimethylethan-1-amine",[2-(9H-carbazol-3-yloxy)ethyl]dimethylamine,CN(C)CCOc1ccc2[nH]c3ccccc3c2c1,"InChI=1S/C16H18N2O/c1-18(2)9-10-19-12-7-8-16-14(11-12)13-5-3-4-6-15(13)17-16/h3-8,11,17H,9-10H2,1-2H3",IIXIJWXGDDCXBA-UHFFFAOYSA-N,C16H18N2O,Not Found,254.333,2.951858946,1,2,4,3,class I PreQ1 riboswitch,"2-[(9H-Carbazol-3-yl)oxy]-N,N-dimethylethan-1-amine is a synthetic ligand for PreQ1 riboswitches, targets RNA tertiary structure. The ligands share a binding site with the cognate ligand but make different contacts. Alteration of the chemical structure of the ligand causes changes in the mode of RNA binding and affects regulatory function.",30940810,,,,,,"Connelly CM, Numata T, Boer RE, Moon MH, Sinniah RS, Barchi JJ, Ferr?-D'Amar? AR, Schneekloth JS Jr. Synthetic ligands for PreQ1 riboswitches provide structural and mechanistic insights into targeting RNA tertiary structure. Nat Commun. 2019 Apr 2;10(1):1501. doi: 10.1038/s41467-019-09493-3. PMID: 30940810; PMCID: PMC6445138.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30940810/,,,,,,137700762,No,No,,,,
DBoRL1829,"2-[(Dibenzo[b,d]furan-2-yl)oxy]-N,N-dimethylethan-1-amine","dimethyl(2-{8-oxatricyclo[7.4.0.0?,?]trideca-1(9),2(7),3,5,10,12-hexaen-4-yloxy}ethyl)amine",CN(C)CCOc1ccc2oc3ccccc3c2c1,"InChI=1S/C16H17NO2/c1-17(2)9-10-18-12-7-8-16-14(11-12)13-5-3-4-6-15(13)19-16/h3-8,11H,9-10H2,1-2H3",GQEGJXFTHBKSKR-UHFFFAOYSA-N,C16H17NO2,Not Found,255.317,3.012220354,0,2,4,3,class I PreQ1 riboswitch,"2-[(Dibenzo[b,d]furan-2-yl)oxy]-N,N-dimethylethan-1-amine is a synthetic ligand for PreQ1 riboswitches, targets RNA tertiary structure. The ligands share a binding site with the cognate ligand but make different contacts. Alteration of the chemical structure of the ligand causes changes in the mode of RNA binding and affects regulatory function.",30940810,,,,,,"Connelly CM, Numata T, Boer RE, Moon MH, Sinniah RS, Barchi JJ, Ferr?-D'Amar? AR, Schneekloth JS Jr. Synthetic ligands for PreQ1 riboswitches provide structural and mechanistic insights into targeting RNA tertiary structure. Nat Commun. 2019 Apr 2;10(1):1501. doi: 10.1038/s41467-019-09493-3. PMID: 30940810; PMCID: PMC6445138.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30940810/,,,,,,137700761,No,No,,,,
DBoRL1830,"2-Benzo[3,4-d]benzo[b]furan-2-yloxyethylamine","2-{8-oxatricyclo[7.4.0.0?,?]trideca-1(9),2(7),3,5,10,12-hexaen-4-yloxy}ethan-1-amine",NCCOc1ccc2oc3ccccc3c2c1,"InChI=1S/C14H13NO2/c15-7-8-16-10-5-6-14-12(9-10)11-3-1-2-4-13(11)17-14/h1-6,9H,7-8,15H2",LFVBNMSDBXKNRO-UHFFFAOYSA-N,C14H13NO2,1011407-19-4,227.263,2.196592023,1,2,3,3,class I PreQ1 riboswitch,"2-Benzo[3,4-d]benzo[b]furan-2-yloxyethylamine is a synthetic ligand for PreQ1 riboswitches, targets RNA tertiary structure. The ligands share a binding site with the cognate ligand but make different contacts. Alteration of the chemical structure of the ligand causes changes in the mode of RNA binding and affects regulatory function.",30940810,,,,,,"Connelly CM, Numata T, Boer RE, Moon MH, Sinniah RS, Barchi JJ, Ferr?-D'Amar? AR, Schneekloth JS Jr. Synthetic ligands for PreQ1 riboswitches provide structural and mechanistic insights into targeting RNA tertiary structure. Nat Commun. 2019 Apr 2;10(1):1501. doi: 10.1038/s41467-019-09493-3. PMID: 30940810; PMCID: PMC6445138.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30940810/,,,,,,24206108,No,No,,,,
DBoRL1831,7-Deaza-7-aminomethyl-guanine,"2-amino-5-(aminomethyl)-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one",NCc1c[nH]c2nc(N)[nH]c(=O)c12,"InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)",MEYMBLGOKYDGLZ-UHFFFAOYSA-N,C7H9N5O,69251-45-2,179.183,-1.207994808,4,4,1,2,class I PreQ1 riboswitch,"7-Deaza-7-aminomethyl-guanine is a synthetic ligand for PreQ1 riboswitches, targets RNA tertiary structure. The ligands share a binding site with the cognate ligand but make different contacts. Alteration of the chemical structure of the ligand causes changes in the mode of RNA binding and affects regulatory function.",30940810,,,,,,"Connelly CM, Numata T, Boer RE, Moon MH, Sinniah RS, Barchi JJ, Ferr?-D'Amar? AR, Schneekloth JS Jr. Synthetic ligands for PreQ1 riboswitches provide structural and mechanistic insights into targeting RNA tertiary structure. Nat Commun. 2019 Apr 2;10(1):1501. doi: 10.1038/s41467-019-09493-3. PMID: 30940810; PMCID: PMC6445138.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30940810/,,,,,,135398563,Yes,No,Experimental,DB03304,https://go.drugbank.com/drugs/DB03304,
DBoRL1832,"1-Methyl-4-{[3-(2-oxopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium","1-methyl-4-{[3-(2-oxopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium",CC(=O)C[n+]1c(Cc2cc[n+](C)c3ccccc23)sc2ccccc21,"InChI=1S/C21H20N2OS/c1-15(24)14-23-19-9-5-6-10-20(19)25-21(23)13-16-11-12-22(2)18-8-4-3-7-17(16)18/h3-12H,13-14H2,1-2H3/q+2",HTPXDOYVWJQKFJ-UHFFFAOYSA-N,C21H20N2OS,Not Found,348.46,-4.652358824,0,1,4,4,Mango-III (A10U) aptamer,"1-Methyl-4-{[3-(2-oxopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium binds with Mango-III (A10U) aptamer and may enhance the fluorescence activity. ",30992561,,,,,,"Trachman RJ 3rd, Autour A, Jeng SCY, Abdolahzadeh A, Andreoni A, Cojocaru R, Garipov R, Dolgosheina EV, Knutson JR, Ryckelynck M, Unrau PJ, Ferr?-D'Amar? AR. Structure and functional reselection of the Mango-III fluorogenic RNA aptamer. Nat Chem Biol. 2019 May;15(5):472-479. doi: 10.1038/s41589-019-0267-9. Epub 2019 Apr 15. PMID: 30992561; PMCID: PMC7380332.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30992561/,,,,,,137796762,No,No,,,,
DBoRL1833,"2-[4-(Dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium","2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium",Cc1ccc2c(c1)sc(-c1ccc(N(C)C)cc1)[n+]2C,"InChI=1S/C17H19N2S/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3/h5-11H,1-4H3/q+1",FXEKRIDRIFBJOR-UHFFFAOYSA-N,C17H19N2S,"20096-11-1,47070-20-2",283.41,0.371026199,0,1,2,3,Corn aptamer mutant A14U,The compound binding between G-quadruplexes at the homodimer interface of the corn RNA aptamer strongly activates Thioflavin T fluorescence. Thioflavin T (ThT) is widely used for the detection of amyloids.,31178406,,,,,,"Sjeklo?a L, Ferr?-D'Amar? AR. Binding between G Quadruplexes at the Homodimer Interface of the Corn RNA Aptamer Strongly Activates Thioflavin T Fluorescence. Cell Chem Biol. 2019 Aug 15;26(8):1159-1168.e4. doi: 10.1016/j.chembiol.2019.04.012. Epub 2019 Jun 6. PMID: 31178406; PMCID: PMC6697623.",,,,,,https://pubmed.ncbi.nlm.nih.gov/31178406/,,,,,,16954,No,No,,,,
DBoRL1834,"Quinolinium, 1-methyl-4-[(3-methyl-2(3H)-benzothiazolylidene)methyl]-","1-methyl-4-[(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium",CN1C(=Cc2cc[n+](C)c3ccccc23)Sc2ccccc21,"InChI=1S/C19H17N2S/c1-20-12-11-14(15-7-3-4-8-16(15)20)13-19-21(2)17-9-5-6-10-18(17)22-19/h3-13H,1-2H3/q+1",XRXJDLHDDHBJOJ-UHFFFAOYSA-N,C19H17N2S,"24144-08-9,24144-08-9",305.42,0.630182903,0,1,1,4,Corn aptamer,The compound binding between G-quadruplexes at the homodimer interface of the corn RNA aptamer strongly activates Thioflavin T fluorescence. Thioflavin T (ThT) is widely used for the detection of amyloids.,31178406,,,,,,"Sjeklo?a L, Ferr?-D'Amar? AR. Binding between G Quadruplexes at the Homodimer Interface of the Corn RNA Aptamer Strongly Activates Thioflavin T Fluorescence. Cell Chem Biol. 2019 Aug 15;26(8):1159-1168.e4. doi: 10.1016/j.chembiol.2019.04.012. Epub 2019 Jun 6. PMID: 31178406; PMCID: PMC6697623.",,,,,,https://pubmed.ncbi.nlm.nih.gov/31178406/,,,,,,123859,No,No,,,,
DBoRL1835,"14,22-Dioxa-12,18,24,31,33,34,36-heptaza-3-azoniapentacyclo[23.5.3.35,11.028,32.08,35]hexatriaconta-1(31),5(36),6,8(35),9,11(34),25(33),26,28(32),29-decaene-13,23-dione","13,23-dioxo-14,22-dioxa-3,6,12,18,24,31,33,34-octaazapentacyclo[23.5.3.2?,?.1?,??.0??,??]hexatriaconta-1(30),5,7(34),8,10,25(33),26,28,31,35-decaen-3-ium",O=C1Nc2ccc3ccc(nc3n2)C[NH2+]Cc2ccc3ccc(nc3n2)NC(=O)OCCCNCCCO1,"InChI=1S/C26H28N8O4/c35-25-33-21-9-5-17-3-7-19(29-23(17)31-21)15-28-16-20-8-4-18-6-10-22(32-24(18)30-20)34-26(36)38-14-2-12-27-11-1-13-37-25/h3-10,27-28H,1-2,11-16H2,(H,29,31,33,35)(H,30,32,34,36)/p+1",XPQLVLKMYDQLQU-UHFFFAOYSA-O,C26H29N8O4,Not Found,517.569,2.435894295,4,9,0,5,seleno-derivative CAG repeats,"The trinucleotide repeats expansion disorders (TREDs) constitute of a group of >40 hereditary neurodegenerative human diseases associated with abnormal expansion of repeated sequences, such as CAG repeats. The compound is a synthetic ligand that targets A?A pairs in disease-related CAG RNA repeats. Binding of ligand is associated with major structural changes of the CAG repeats.",31566242,,,,,,"Mukherjee S, B?aszczyk L, Rypniewski W, Falschlunger C, Micura R, Murata A, Dohno C, Nakatani K, Kiliszek A. Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats. Nucleic Acids Res. 2019 Nov 18;47(20):10906-10913. doi: 10.1093/nar/gkz832. PMID: 31566242; PMCID: PMC6847237.",,,,,,https://pubmed.ncbi.nlm.nih.gov/31566242/,,,,,,145946009,No,No,,,,
DBoRL1836,"(17E)-14,21-Dioxa-12,23,30,32,33,35-hexaza-3-azoniapentacyclo[22.5.3.35,11.027,31.08,34]pentatriaconta-1(30),5(35),6,8(34),9,11(33),17,24(32),25,27(31),28-undecaene-13,22-dione","13,22-dioxo-14,21-dioxa-3,6,12,23,30,32,33-heptaazapentacyclo[22.5.3.2?,?.1?,??.0??,??]pentatriaconta-1(29),5,7(33),8,10,17,24(32),25,27,30,34-undecaen-3-ium",O=C1Nc2ccc3ccc(nc3n2)C[NH2+]Cc2ccc3ccc(nc3n2)NC(=O)OCCC=CCCO1,"InChI=1S/C26H25N7O4/c34-25-32-21-11-7-17-5-9-19(28-23(17)30-21)15-27-16-20-10-6-18-8-12-22(31-24(18)29-20)33-26(35)37-14-4-2-1-3-13-36-25/h1-2,5-12,27H,3-4,13-16H2,(H,28,30,32,34)(H,29,31,33,35)/p+1",GBOMGPRBHPRGNP-UHFFFAOYSA-O,C26H26N7O4,Not Found,500.538,3.784916316,3,8,0,5,seleno-derivative CAG repeats,"The trinucleotide repeats expansion disorders (TREDs) constitute of a group of >40 hereditary neurodegenerative human diseases associated with abnormal expansion of repeated sequences, such as CAG repeats. The compound is a synthetic ligand that targets A?A pairs in disease-related CAG RNA repeats. Binding of ligand is associated with major structural changes of the CAG repeats.",31566242,,,,,,"Mukherjee S, B?aszczyk L, Rypniewski W, Falschlunger C, Micura R, Murata A, Dohno C, Nakatani K, Kiliszek A. Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats. Nucleic Acids Res. 2019 Nov 18;47(20):10906-10913. doi: 10.1093/nar/gkz832. PMID: 31566242; PMCID: PMC6847237.",,,,,,https://pubmed.ncbi.nlm.nih.gov/31566242/,,,,,,Not Found,No,No,,,,
DBoRL1837,"2-(8-Fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one","2-{8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl}-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one",Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc(F)c2n1,"InChI=1S/C21H21FN6O/c1-14-11-27-12-15(9-17(22)21(27)23-14)18-10-20(29)28-13-16(3-4-19(28)24-18)26-7-5-25(2)6-8-26/h3-4,9-13H,5-8H2,1-2H3",OCIABPGRNCLBEI-UHFFFAOYSA-N,C21H21FN6O,Not Found,392.438,0.522899963,0,5,2,5,RNA duplex formed by the 5'-end of U1snRNA and the 5'-splice site of SMN2 exon7,The compound is SMN2 exon 7 selective and act during the early stages of spliceosome assembly. The compound (small molecule) acts as a specific splicing enhancer cooperatively with the splicing regulatory network. The compound is responsible for gene-specific alternative splicing correction at 5? splice site bulge repair.,31636429,,,,,,"Campagne S, Boigner S, R?disser S, Moursy A, Gillioz L, Kn?rlein A, Hall J, Ratni H, Cl?ry A, Allain FH. Structural basis of a small molecule targeting RNA for a specific splicing correction. Nat Chem Biol. 2019 Dec;15(12):1191-1198. doi: 10.1038/s41589-019-0384-5. Epub 2019 Oct 21. PMID: 31636429.",,,,,,https://pubmed.ncbi.nlm.nih.gov/31636429/,,,,,,89740936,No,No,,,,
DBoRL1838,5-Carboxy methylrhodamine,N''-ethylguanidine,CCN=C(N)N,"InChI=1S/C3H9N3/c1-2-6-3(4)5/h2H2,1H3,(H4,4,5,6)",KEWLVUBYGUZFKX-UHFFFAOYSA-N,C3H9N3,503-69-5,87.126,-0.656354995,2,3,1,0,tetramethylrhodamine (TMR) aptamer 3,5-Carboxy methylrhodamine (a fluorophore compound) binds with RNA aptamer & form a complex. This type complex is used to get high resolution structure of nucleic acid moiety like RNA & their interaction with ligands.  ,31754719,,,,,,"Duchardt-Ferner E, Juen M, Bourgeois B, Madl T, Kreutz C, Ohlenschl?ger O, W?hnert J. Structure of an RNA aptamer in complex with the fluorophore tetramethylrhodamine. Nucleic Acids Res. 2020 Jan 24;48(2):949-961. doi: 10.1093/nar/gkz1113. PMID: 31754719; PMCID: PMC6954400.",,,,,,https://pubmed.ncbi.nlm.nih.gov/31754719/,,,,,,29544,No,No,,,,
DBoRL1839,Targaprimir-515,,CCCN(CC(=O)CN(CCC)CC(=O)CN(CCC)C(=O)CNCC1=CN(N=[N]=N)N=N1)CC(=O)CN(CCC)CC(=O)N(CC(N)=O)CC1=CN(N=[N]=N)N=N1,"InChI=1S/C33H57N19O6/c1-5-9-46(20-29(54)21-48(11-7-3)25-33(58)50(24-31(34)56)15-27-17-52(43-39-27)45-41-36)18-28(53)19-47(10-6-2)22-30(55)23-49(12-8-4)32(57)14-37-13-26-16-51(42-38-26)44-40-35/h16-17,35-37H,5-15,18-25H2,1-4H3,(H2,34,56)",XBUNYVAUMGBFRH-UHFFFAOYSA-N,C33H57N19O6,Not Found,815.946,,0,0,32,2,pri-miR-515,"Targaprimir-515 is a small molecule, which modulates microRNA (miR) function. Targaprimir-515 selectively inhibit the Drosha processing of pri-miR-515 through direct binding.",31931338,,,,,,"Emile N. Van Meter, Jackline A. Onyango, Kelly A. Teske,
A review of currently identified small molecule modulators of microRNA function,
European Journal of Medicinal Chemistry,
Volume 188,
2020,
112008,
ISSN 0223-5234,
https://doi.org/10.1016/j.ejmech.2019.112008.",,,,,,https://pubmed.ncbi.nlm.nih.gov/31931338/,,,,,,Not Found,No,No,,,,
DBoRL1840,Targaprimir-515/885,"N-(3-aminopropyl)-4-(2,6-di-tert-butyl-4-{5-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamide",CN1CCN(c2ccc3nc(-c4ccc5[nH]c(-c6cc(C(C)(C)C)c(OCCCC(=O)NCCCN)c(C(C)(C)C)c6)nc5c4)[nH]c3c2)CC1,"InChI=1S/C40H54N8O2/c1-39(2,3)29-22-27(23-30(40(4,5)6)36(29)50-21-8-10-35(49)42-16-9-15-41)38-44-31-13-11-26(24-33(31)45-38)37-43-32-14-12-28(25-34(32)46-37)48-19-17-47(7)18-20-48/h11-14,22-25H,8-10,15-21,41H2,1-7H3,(H,42,49)(H,43,46)(H,44,45)",KECUXERKYLYHEX-UHFFFAOYSA-N,C40H54N8O2,Not Found,678.926,5.941259163,4,7,13,6,"pri-miR-515, pri-miR-855.","Targaprimir-515/885 is a small molecule, which modulates microRNA (miR) function. Targaprimir-515/885 selectively inhibit the Drosha processing of miR-885 (5?UCU3?/ 3?AUA5?) and miR-515 (5?UUC3?/ 3?GCG5?) hairpin precursors through direct binding.",31931338,,,,,,"Emile N. Van Meter, Jackline A. Onyango, Kelly A. Teske,
A review of currently identified small molecule modulators of microRNA function,
European Journal of Medicinal Chemistry,
Volume 188,
2020,
112008,
ISSN 0223-5234,
https://doi.org/10.1016/j.ejmech.2019.112008.",,,,,,https://pubmed.ncbi.nlm.nih.gov/31931338/,,,,,,Not Found,No,No,,,,
DBoRL1841,N6-Methyladenosine 5'-triphosphate,"[({[({3,4-dihydroxy-5-[6-(methylamino)-9H-purin-9-yl]oxolan-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acid",CNc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,"InChI=1/C11H18N5O13P3/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(27-11)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,7-8,11,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H,12,13,14)(H2,19,20,21)",LCQWKKZWHQFOAH-UHFFFAOYNA-N,C11H18N5O13P3,Not Found,521.208,-5.121530891,7,14,9,3,ADP-binding domain of the NAD+ riboswitch ,N6-Methyladenosine 5'-triphosphate targets ADP-binding domain of the NAD+ riboswitch & affects the function of NAD+ riboswitch.,32295864,,,,,,"Huang L, Wang J, Lilley DMJ. Structure and ligand binding of the ADP-binding domain of the NAD+ riboswitch. RNA. 2020 Jul;26(7):878-887. doi: 10.1261/rna.074898.120. Epub 2020 Apr 15. PMID: 32295864; PMCID: PMC7297122.",,,,,,https://pubmed.ncbi.nlm.nih.gov/32295864/,,,,,,44306375,No,No,,,,
DBoRL1842,"1,4-Dihydronicotinamide adenine dinucleotide","[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[5-(3-carbamoyl-1,4-dihydropyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid",NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,"InChI=1/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)",BOPGDPNILDQYTO-UHFFFAOYNA-N,C21H29N7O14P2,Not Found,665.446,-6.233775786,8,16,11,5,ADP-binding domain of the NAD+ riboswitch,"NAD+ riboswitch regulates gene expression in response to NAD+ binding in bacteria. 1,4-Dihydronicotinamide adenine dinucleotide targets ADP-binding domain of the NAD+ riboswitch & affects the function of NAD+ riboswitch.",32295864,,,,,,"Huang L, Wang J, Lilley DMJ. Structure and ligand binding of the ADP-binding domain of the NAD+ riboswitch. RNA. 2020 Jul;26(7):878-887. doi: 10.1261/rna.074898.120. Epub 2020 Apr 15. PMID: 32295864; PMCID: PMC7297122.",,,,,,https://pubmed.ncbi.nlm.nih.gov/32295864/,,,,,,928,Yes,Yes,Nutraceutical,DB00157,https://go.drugbank.com/drugs/DB00157,
DBoRL1843,Cordycepin triphosphate,({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CC1O,"InChI=1/C10H16N5O12P3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(25-10)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)",NLIHPCYXRYQPSD-UHFFFAOYNA-N,C10H16N5O12P3,Not Found,491.182,-4.73498707,6,13,8,3,ADP-binding domain of the NAD+ riboswitch,NAD+ riboswitch regulates gene expression in response to NAD+ binding in bacteria. Cordycepin triphosphate targets ADP-binding domain of the NAD+ riboswitch & affects the function of NAD+ riboswitch.,32295864,,,,,,"Huang L, Wang J, Lilley DMJ. Structure and ligand binding of the ADP-binding domain of the NAD+ riboswitch. RNA. 2020 Jul;26(7):878-887. doi: 10.1261/rna.074898.120. Epub 2020 Apr 15. PMID: 32295864; PMCID: PMC7297122.",,,,,,https://pubmed.ncbi.nlm.nih.gov/32295864/,,,,,,1601,Yes,No,Experimental,DB01860,https://go.drugbank.com/drugs/DB01860,
DBoRL1844,Phosphoadenosine phosphosulfate,[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]sulfonic acid,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OS(=O)(=O)O)C(OP(=O)(O)O)C1O,"InChI=1/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)",GACDQMDRPRGCTN-UHFFFAOYNA-N,C10H15N5O13P2S,Not Found,507.26,-6.079465662,6,14,8,3,ADP-binding domain of the NAD+ riboswitch,NAD+ riboswitch regulates gene expression in response to NAD+ binding in bacteria. N6-Methyladenosine 5'-triphosphate targets ADP-binding domain of the NAD+ riboswitch & affects the function of NAD+ riboswitch.,32295864,,,,,,"Huang L, Wang J, Lilley DMJ. Structure and ligand binding of the ADP-binding domain of the NAD+ riboswitch. RNA. 2020 Jul;26(7):878-887. doi: 10.1261/rna.074898.120. Epub 2020 Apr 15. PMID: 32295864; PMCID: PMC7297122.",,,,,,https://pubmed.ncbi.nlm.nih.gov/32295864/,,,,,,990,Yes,No,Experimental,DB02902,https://go.drugbank.com/drugs/DB02902,
DBoRL1845,"[[(2R,3S,4R,5R)-5-(6-Amino-7H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate","1-[5-({[({[5-(6-amino-7H-9??-purin-9-ylium-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)(oxido)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1??-pyridin-1-ylium",NC(=O)c1ccc[n+](C2OC(COP(=O)([O-])OP(=O)([O-])OCC3OC([n+]4c[nH]c5c(N)ncnc54)C(O)C3O)C(O)C2O)c1,"InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)",BAWFJGJZGIEFAR-UHFFFAOYNA-N,C21H27N7O14P2,Not Found,663.43,-11.98902606,7,14,11,5,ADP-binding domain of the NAD+ riboswitch,NAD+ riboswitch regulates gene expression in response to NAD+ binding in bacteria. The compound targets ADP-binding domain of the NAD+ riboswitch & affects the function of NAD+ riboswitch.,32295864,,,,,,"Huang L, Wang J, Lilley DMJ. Structure and ligand binding of the ADP-binding domain of the NAD+ riboswitch. RNA. 2020 Jul;26(7):878-887. doi: 10.1261/rna.074898.120. Epub 2020 Apr 15. PMID: 32295864; PMCID: PMC7297122.",,,,,,https://pubmed.ncbi.nlm.nih.gov/32295864/,,,,,,925,No,No,,,,
DBoRL1846,ZINC17125807,"N''-methyl-N-{[1-(12-{1-[(N''-methylcarbamimidamido)imino]ethyl}-8-thiatricyclo[7.4.0.0?,?]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)ethylidene]amino}guanidine",CN=C(N)NN=C(C)c1ccc2sc3ccc(C(C)=NNC(N)=NC)cc3c2c1,"InChI=1S/C20H24N8S/c1-11(25-27-19(21)23-3)13-5-7-17-15(9-13)16-10-14(6-8-18(16)29-17)12(2)26-28-20(22)24-4/h5-10H,1-4H3,(H3,21,23,27)(H3,22,24,28)",XCSSSGMWRCNFBK-UHFFFAOYSA-N,C20H24N8S,Not Found,408.53,2.070490206,4,8,4,3,Tau pre-mRNA Exon 10 Splicing Regulatory Element,"Human genes are alternatively spliced, but aberrant splicing events can cause disease. One pre-mRNA that is alternatively spliced and linked to neurodegenerative diseases is Tau (microtubule-associated protein tau), which can cause frontotemporal dementia and parkinsonism linked to chromosome 17 (FTDP-17) and can contribute to Alzheimer?s disease. The compound i.e., ZINC17125807 (a structure specific small molecule) that targets Tau Pre-mRNA and inhibit the aberrant splicing process. ",32364710,,,,,,"Chen JL, Zhang P, Abe M, Aikawa H, Zhang L, Frank AJ, Zembryski T, Hubbs C, Park H, Withka J, Steppan C, Rogers L, Cabral S, Pettersson M, Wager TT, Fountain MA, Rumbaugh G, Childs-Disney JL, Disney MD. Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing. J Am Chem Soc. 2020 May 13;142(19):8706-8727. doi: 10.1021/jacs.0c00768. Epub 2020 May 4. PMID: 32364710; PMCID: PMC7357857.",,,,,,https://pubmed.ncbi.nlm.nih.gov/32364710/,,,,,,433313,No,No,,,,
DBoRL1847,"N-[3-(8-Methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propyl]-N-methylcyclohexanaminium","N-(3-{8-methoxy-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}propyl)-N-methylcyclohexanaminium",COc1ccc2[nH]c3c(=O)n(CCC[NH+](C)C4CCCCC4)cnc3c2c1,"InChI=1/C21H28N4O2/c1-24(15-7-4-3-5-8-15)11-6-12-25-14-22-19-17-13-16(27-2)9-10-18(17)23-20(19)21(25)26/h9-10,13-15,23H,3-8,11-12H2,1-2H3/p+1",ZZYFLPWOLNEUGF-UHFFFAOYNA-O,C21H29N4O2,Not Found,369.488,2.497295857,2,3,6,4,Tau pre-mRNA Exon 10 Splicing Regulatory Element,"Human genes are alternatively spliced, but aberrant splicing events can cause disease. One pre-mRNA that is alternatively spliced and linked to neurodegenerative diseases is Tau (microtubule-associated protein tau), which can cause frontotemporal dementia and parkinsonism linked to chromosome 17 (FTDP-17) and can contribute to Alzheimer?s disease. The compound i.e., N-[3-(8-Methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propyl]-N-methylcyclohexanaminium (a structure specific small molecule) that targets Tau Pre-mRNA and inhibit the aberrant splicing process. ",32364710,,,,,,"Chen JL, Zhang P, Abe M, Aikawa H, Zhang L, Frank AJ, Zembryski T, Hubbs C, Park H, Withka J, Steppan C, Rogers L, Cabral S, Pettersson M, Wager TT, Fountain MA, Rumbaugh G, Childs-Disney JL, Disney MD. Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing. J Am Chem Soc. 2020 May 13;142(19):8706-8727. doi: 10.1021/jacs.0c00768. Epub 2020 May 4. PMID: 32364710; PMCID: PMC7357857.",,,,,,https://pubmed.ncbi.nlm.nih.gov/32364710/,,,,,,146036030,No,No,,,,
DBoRL1848,4-(3-Methoxyanilino)-2-methylquinoline-6-carboximidamide,4-[(3-methoxyphenyl)amino]-2-methylquinoline-6-carboximidamide,COc1cccc(Nc2cc(C)nc3ccc(C(=N)N)cc23)c1,"InChI=1S/C18H18N4O/c1-11-8-17(22-13-4-3-5-14(10-13)23-2)15-9-12(18(19)20)6-7-16(15)21-11/h3-10H,1-2H3,(H3,19,20)(H,21,22)",FPVZIQCHGNLJIP-UHFFFAOYSA-N,C18H18N4O,Not Found,306.369,2.464993624,3,5,4,3,Tau pre-mRNA Exon 10 Splicing Regulatory Element,"Human genes are alternatively spliced, but aberrant splicing events can cause disease. One pre-mRNA that is alternatively spliced and linked to neurodegenerative diseases is Tau (microtubule-associated protein tau), which can cause frontotemporal dementia and parkinsonism linked to chromosome 17 (FTDP-17) and can contribute to Alzheimer?s disease. The compound i.e., 4-(3-Methoxyanilino)-2-methylquinoline-6-carboximidamide (a structure specific small molecule) that targets Tau Pre-mRNA and inhibit the aberrant splicing process. ",32364710,,,,,,"Chen JL, Zhang P, Abe M, Aikawa H, Zhang L, Frank AJ, Zembryski T, Hubbs C, Park H, Withka J, Steppan C, Rogers L, Cabral S, Pettersson M, Wager TT, Fountain MA, Rumbaugh G, Childs-Disney JL, Disney MD. Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing. J Am Chem Soc. 2020 May 13;142(19):8706-8727. doi: 10.1021/jacs.0c00768. Epub 2020 May 4. PMID: 32364710; PMCID: PMC7357857.",,,,,,https://pubmed.ncbi.nlm.nih.gov/32364710/,,,,,,146036029,No,No,,,,
DBoRL1849,"3-[2-(Methylamino)-2-oxoethyl]-2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium","1-methyl-4-({3-[(methylcarbamoyl)methyl]-2,3-dihydro-1,3-benzothiazol-2-ylidene}methyl)quinolin-1-ium",CNC(=O)CN1C(=Cc2cc[n+](C)c3ccccc23)Sc2ccccc21,"InChI=1S/C21H19N3OS/c1-22-20(25)14-24-18-9-5-6-10-19(18)26-21(24)13-15-11-12-23(2)17-8-4-3-7-16(15)17/h3-13H,14H2,1-2H3/p+1",TZTFXKRTFIOKBN-UHFFFAOYSA-O,C21H20N3OS,Not Found,362.47,-0.475100337,1,2,3,4,Mango-IV homodimer,The compound (a fluorophore) binds with Mango-IV homodimer. Please see the reference for more details.,32386573,,,,,,"Trachman RJ 3rd, Cojocaru R, Wu D, Piszczek G, Ryckelynck M, Unrau PJ, Ferr?-D'Amar? AR. Structure-Guided Engineering of the Homodimeric Mango-IV Fluorescence Turn-on Aptamer Yields an RNA FRET Pair. Structure. 2020 Jul 7;28(7):776-785.e3. doi: 10.1016/j.str.2020.04.007. Epub 2020 May 7. PMID: 32386573; PMCID: PMC7347457.",,,,,,https://pubmed.ncbi.nlm.nih.gov/32386573/,,,,,,146672984,No,No,,,,
DBoRL1850,Meso-Tetrakis(2-N-methylpyridyl)porphine,"1-methyl-4-[7,12,17-tris(1-methylpyridin-1-ium-4-yl)-21,22,23,24-tetraazapentacyclo[16.2.1.1?,?.1?,??.1??,??]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]pyridin-1-ium",C[n+]1ccc(-c2c3nc(c(-c4cc[n+](C)cc4)c4ccc([nH]4)c(-c4cc[n+](C)cc4)c4nc(c(-c5cc[n+](C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1,"InChI=1S/C44H37N8/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31/h5-28H,1-4H3,(H,45,46,47,48)/q+3/p+1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-",ABCGFHPGHXSVKI-LWQDQPMZSA-O,C44H38N8,Not Found,678.842,-9.423182477,2,2,4,9,two-quartet RNA parallel G-quadruplex,Mode of action is not known.,32453431,,,,,,"Zhang Y, El Omari K, Duman R, Liu S, Haider S, Wagner A, Parkinson GN, Wei D. Native de novo structural determinations of non-canonical nucleic acid motifs by X-ray crystallography at long wavelengths. Nucleic Acids Res. 2020 Sep 25;48(17):9886-9898. doi: 10.1093/nar/gkaa439. PMID: 32453431; PMCID: PMC7515729.",,,,,,https://pubmed.ncbi.nlm.nih.gov/32453431/,,,,,,4234,No,No,,,,
DBoRL1851,Contezolid,"1-[2,3,6-trifluoro-4-(5-{[(1,2-oxazol-3-yl)amino]methyl}-2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2,3,4-tetrahydropyridin-4-one",O=C1C=CN(c2c(F)cc(N3CC(CNc4ccon4)OC3=O)c(F)c2F)CC1,"InChI=1/C18H15F3N4O4/c19-12-7-13(15(20)16(21)17(12)24-4-1-10(26)2-5-24)25-9-11(29-18(25)27)8-22-14-3-6-28-23-14/h1,3-4,6-7,11H,2,5,8-9H2,(H,22,23)",SULYVXZZUMRQAX-UHFFFAOYNA-N,C18H15F3N4O4,Not Found,408.337,2.55098717,1,6,5,4,50S Ribosomal subunit ,The contezolid bound to peptidyl transferase center (PTC) of 50S ribosomal subunit.,32566908,,,,,,"Wright A, Deane-Alder K, Marschall E, Bamert R, Venugopal H, Lithgow T, Lupton DW, Belousoff MJ. Characterization of the Core Ribosomal Binding Region for the Oxazolidone Family of Antibiotics Using Cryo-EM. ACS Pharmacol Transl Sci. 2020 May 13;3(3):425-432. doi: ",,,,,,https://pubmed.ncbi.nlm.nih.gov/32566908/,,,,,,74401699,Yes,No,Investigational,DB12796,https://go.drugbank.com/drugs/DB12796,
DBoRL1852,Radezolid,"N-({3-[2-fluoro-4'-({[(2H-1,2,3-triazol-4-yl)methyl]amino}methyl)-[1,1'-biphenyl]-4-yl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide",CC(=O)NCC1CN(c2ccc(-c3ccc(CNCc4cn[nH]n4)cc3)c(F)c2)C(=O)O1,"InChI=1/C22H23FN6O3/c1-14(30)25-12-19-13-29(22(31)32-19)18-6-7-20(21(23)8-18)16-4-2-15(3-5-16)9-24-10-17-11-26-28-27-17/h2-8,11,19,24H,9-10,12-13H2,1H3,(H,25,30)(H,26,27,28)",BTTNOGHPGJANSW-UHFFFAOYNA-N,C22H23FN6O3,Not Found,438.463,1.287123316,3,6,8,4,50S Ribosomal subunit ,The radezolid bound to peptidyl transferase center (PTC) of 50S ribosomal subunit.,32566908,,,,,,"Wright A, Deane-Alder K, Marschall E, Bamert R, Venugopal H, Lithgow T, Lupton DW, Belousoff MJ. Characterization of the Core Ribosomal Binding Region for the Oxazolidone Family of Antibiotics Using Cryo-EM. ACS Pharmacol Transl Sci. 2020 May 13;3(3):425-432. doi: ",,,,,,https://pubmed.ncbi.nlm.nih.gov/32566908/,,,,,,22274119,Yes,No,Investigational,DB12339,https://go.drugbank.com/drugs/DB12339,
DBoRL1853,Tedizolid,"3-{3-fluoro-4-[6-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]phenyl}-5-(hydroxymethyl)-1,3-oxazolidin-2-one",Cn1nnc(-c2ccc(-c3ccc(N4CC(CO)OC4=O)cc3F)cn2)n1,"InChI=1/C17H15FN6O3/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(9-25)27-17(24)26/h2-7,12,25H,8-9H2,1H3",XFALPSLJIHVRKE-UHFFFAOYNA-N,C17H15FN6O3,Not Found,370.344,2.118811395,1,7,4,4,50S Ribosomal subunit ,The tedizolid bound to peptidyl transferase center (PTC) of 50S ribosomal subunit.,32566908,,,,,,"Wright A, Deane-Alder K, Marschall E, Bamert R, Venugopal H, Lithgow T, Lupton DW, Belousoff MJ. Characterization of the Core Ribosomal Binding Region for the Oxazolidone Family of Antibiotics Using Cryo-EM. ACS Pharmacol Transl Sci. 2020 May 13;3(3):425-432. doi: ",,,,,,https://pubmed.ncbi.nlm.nih.gov/32566908/,,,,,,11653580,Yes,Yes,Investigational,DB14569,https://go.drugbank.com/drugs/DB14569,
DBoRL1854,"2-Amino-3-[(R)-{[(3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1-[(S)-{[(3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1H-imidazol-3-ium","2-amino-1,3-bis({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl)-1H-imidazol-3-ium",Nc1nc2c(ncn2C2OCC(OP(=O)(O)n3cc[n+](P(=O)(O)OC4COC(n5cnc6c(=O)[nH]c(N)nc65)C4O)c3N)C2O)c(=O)[nH]1,"InChI=1/C21H25N13O12P2/c22-19-27-13-9(15(37)29-19)25-5-31(13)17-11(35)7(3-43-17)45-47(39,40)33-1-2-34(21(33)24)48(41,42)46-8-4-44-18(12(8)36)32-6-26-10-14(32)28-20(23)30-16(10)38/h1-2,5-8,11-12,17-18,24,35-36H,3-4H2,(H8,22,23,27,28,29,30,37,38,39,40,41,42)/p+1",ZVPUVGSJWNSRDP-UHFFFAOYNA-O,C21H26N13O12P2,Not Found,714.465,-6.190441826,9,17,8,7,RNA duplex,"The compound is sandwiched between two well-structured RNA duplexes & for this the N-glycosidic bond of the TNA monomer is rotated, resulting in an angle of ?134?.",33347562,,,,,,"Zhang W, Kim SC, Tam CP, Lelyveld VS, Bala S, Chaput JC, Szostak JW. Structural interpretation of the effects of threo-nucleotides on nonenzymatic template-directed polymerization. Nucleic Acids Res. 2021 Jan 25;49(2):646-656. doi: 10.1093/nar/gkaa1215. PMID: 33347562; PMCID: PMC7826252.",,,,,,https://pubmed.ncbi.nlm.nih.gov/33347562/,,,,,,Not Found,No,No,,,,
DBoRL1855,"2-Azanyl-9-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{H}-purin-6-one","{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid",Nc1nc2c(ncn2C2OCC(OP(=O)(O)O)C2O)c(=O)[nH]1,"InChI=1/C9H12N5O7P/c10-9-12-6-4(7(16)13-9)11-2-14(6)8-5(15)3(1-20-8)21-22(17,18)19/h2-3,5,8,15H,1H2,(H2,17,18,19)(H3,10,12,13,16)",VUXXJAQCUYFTOP-UHFFFAOYNA-N,C9H12N5O7P,Not Found,333.197,-2.628984883,5,9,3,3,RNA duplex,"The compound is sandwiched between two well-structured RNA duplexes & for this the N-glycosidic bond of the TNA monomer is rotated, resulting in an angle of ?134?.",33347562,,,,,,"Zhang W, Kim SC, Tam CP, Lelyveld VS, Bala S, Chaput JC, Szostak JW. Structural interpretation of the effects of threo-nucleotides on nonenzymatic template-directed polymerization. Nucleic Acids Res. 2021 Jan 25;49(2):646-656. doi: 10.1093/nar/gkaa1215. PMID: 33347562; PMCID: PMC7826252.",,,,,,https://pubmed.ncbi.nlm.nih.gov/33347562/,,,,,,Not Found,No,No,,,,
DBoRL1856,Naphthyridine Carbamate Dimer,"3-[(3-{[(7-methyl-1,8-naphthyridin-2-yl)carbamoyl]oxy}propyl)amino]propyl N-(7-methyl-1,8-naphthyridin-2-yl)carbamate",Cc1ccc2ccc(NC(=O)OCCCNCCCOC(=O)Nc3ccc4ccc(C)nc4n3)nc2n1,"InChI=1S/C26H29N7O4/c1-17-5-7-19-9-11-21(30-23(19)28-17)32-25(34)36-15-3-13-27-14-4-16-37-26(35)33-22-12-10-20-8-6-18(2)29-24(20)31-22/h5-12,27H,3-4,13-16H2,1-2H3,(H,28,30,32,34)(H,29,31,33,35)",RLXLNYXAIXVZCE-UHFFFAOYSA-N,C26H29N7O4,Not Found,503.563,3.226114722,3,9,12,4,an RNA with UGGAA-UGGAA pentad,"Naphthyridine carbamate dimer (NCD), a small molecule that targets r(UGGAA)n of RNA foci in Drosophila model. NCD disrupts naturally occurring RNA foci built on r(UGGAA)n repeat RNA known as nuclear stress bodies (nSBs) by interfering with RNA?protein interactions resulting in the suppression of nSB-mediated splicing events.",33431896,,,,,,"Shibata T, Nagano K, Ueyama M, Ninomiya K, Hirose T, Nagai Y, Ishikawa K, Kawai G, Nakatani K. Small molecule targeting r(UGGAA)n?disrupts RNA foci and alleviates disease phenotype in Drosophila model. Nat Commun. 2021 Jan 11;12(1):236. doi: 10.1038/s41467-020-20487-4. PMID: 33431896; PMCID: PMC7801683.",,,,,,https://pubmed.ncbi.nlm.nih.gov/33431896/,,,,,,11591482,No,No,,,,
DBoRL1857,CMC6_diphenylfuran,N-(propan-2-yl)-3-(5-{3-[N-(propan-2-yl)carbamimidoyl]phenyl}furan-2-yl)benzene-1-carboximidamide,CC(C)NC(=N)c1cccc(-c2ccc(-c3cccc(C(=N)NC(C)C)c3)o2)c1,"InChI=1S/C24H28N4O/c1-15(2)27-23(25)19-9-5-7-17(13-19)21-11-12-22(29-21)18-8-6-10-20(14-18)24(26)28-16(3)4/h5-16H,1-4H3,(H2,25,27)(H2,26,28)",AHWRKNKYNVAWFC-UHFFFAOYSA-N,C24H28N4O,Not Found,388.515,4.190866013,4,4,6,3,HIV-1 RRE,Diphenylfuran derivatives bis-substituted with different groups of various sizes have revealed that the compounds with the smallest substituents intercalate into RNA whereas those bearing the largest substituents (including six-membered rings as found in Hoechst 33258) cannot intercalate into RNA and may bind to the major groove of the A-form RNA helix.,10637358,24163098,,,,,"1) Wilson WD, Li K. Targeting RNA with small molecules. Curr Med Chem. 2000 Jan;7(1):73-98. doi: 10.2174/0929867003375434. PMID: 10637358.","2) Mehta A, Sonam S, Gouri I, Loharch S, Sharma DK, Parkesh R. SMMRNA: a database of small molecule modulators of RNA. Nucleic Acids Res. 2014 Jan;42(Database issue):D132-41. doi: 10.1093/nar/gkt976. Epub 2013 Oct 24. PMID: 24163098; PMCID: PMC3965028.",,,,,https://pubmed.ncbi.nlm.nih.gov/10637358/,https://pubmed.ncbi.nlm.nih.gov/24163098/,,,,,460176,No,No,,,,
DBoRL1858,CMC7_diphenylfuran,N-[2-(dimethylamino)ethyl]-3-[5-(3-{N-[2-(dimethylamino)ethyl]carbamimidoyl}phenyl)furan-2-yl]benzene-1-carboximidamide,CN(C)CCNC(=N)c1cccc(-c2ccc(-c3cccc(C(=N)NCCN(C)C)c3)o2)c1,"InChI=1S/C26H34N6O/c1-31(2)15-13-29-25(27)21-9-5-7-19(17-21)23-11-12-24(33-23)20-8-6-10-22(18-20)26(28)30-14-16-32(3)4/h5-12,17-18H,13-16H2,1-4H3,(H2,27,29)(H2,28,30)",ADNIPYMDMSCLQS-UHFFFAOYSA-N,C26H34N6O,Not Found,446.599,2.681389099,4,6,10,3,HIV-1 RRE,Diphenylfuran derivatives bis-substituted with different groups of various sizes have revealed that the compounds with the smallest substituents intercalate into RNA whereas those bearing the largest substituents (including six-membered rings as found in Hoechst 33258) cannot intercalate into RNA and may bind to the major groove of the A-form RNA helix.,10637358,24163098,,,,,"1) Wilson WD, Li K. Targeting RNA with small molecules. Curr Med Chem. 2000 Jan;7(1):73-98. doi: 10.2174/0929867003375434. PMID: 10637358.","2) Mehta A, Sonam S, Gouri I, Loharch S, Sharma DK, Parkesh R. SMMRNA: a database of small molecule modulators of RNA. Nucleic Acids Res. 2014 Jan;42(Database issue):D132-41. doi: 10.1093/nar/gkt976. Epub 2013 Oct 24. PMID: 24163098; PMCID: PMC3965028.",,,,,https://pubmed.ncbi.nlm.nih.gov/10637358/,https://pubmed.ncbi.nlm.nih.gov/24163098/,,,,,485808,No,No,,,,
DBoRL1859,Heterocyclic paromomycin derivative 1 ,"9-({[(1R,4R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}methyl)-6,9-dihydro-1H-purin-6-one",N[C@@H]1CC(N)[C@@H](OCN2C=NC3=C2N=CNC3=O)C(O)C1O,"InChI=1S/C12H18N6O4/c13-5-1-6(14)10(9(20)8(5)19)22-4-18-3-17-7-11(18)15-2-16-12(7)21/h2-3,5-6,8-10,19-20H,1,4,13-14H2,(H,15,16,21)/t5-,6?,8?,9?,10-/m1/s1",ITBSNNMNANPUCH-FEMTXJOKSA-N,C12H18N6O4,Not Found,310.314,-4.057477418,5,8,3,3,16s rRNA A SITE,"Heterocyclic paromomycin derivative 1, an aminoglycoside, binds to bacterial 16S rRNA that leads to misreading of the genetic code.",11405670,12888972,,,,,"1) Ding Y, Hofstadler SA, Swayze EE, Griffey RH. An efficient synthesis of mimetics of neamine for RNA recognition. Org Lett. 2001 May 31;3(11):1621-3. doi: 10.1021/ol015794g. PMID: 11405670. 2) Ding Y, Hofstadler SA, Swayze EE, Risen L, Griffey RH. Design and synthesis of paromomycin-related heterocycle-substituted aminoglycoside mimetics based on a mass spectrometry RNA-binding assay. Angew Chem Int Ed Engl. 2003 Jul 28;42(29):3409-12. doi: 10.1002/anie.200351354. PMID: 12888972.","2) Ding Y, Hofstadler SA, Swayze EE, Risen L, Griffey RH. Design and synthesis of paromomycin-related heterocycle-substituted aminoglycoside mimetics based on a mass spectrometry RNA-binding assay. Angew Chem Int Ed Engl. 2003 Jul 28;42(29):3409-12. doi: 10.1002/anie.200351354. PMID: 12888972.",,,,,https://pubmed.ncbi.nlm.nih.gov/11405670/,https://pubmed.ncbi.nlm.nih.gov/12888972/,,,,,Not Found,No,No,,,,
DBoRL1860,Heterocyclic paromomycin derivative 2,"(3R,6R)-4,6-diamino-3-[(1H-imidazol-1-yl)methoxy]cyclohexane-1,2-diol",N[C@@H]1CC(N)[C@@H](OCN2C=CN=C2)C(O)C1O,"InChI=1S/C10H18N4O3/c11-6-3-7(12)10(9(16)8(6)15)17-5-14-2-1-13-4-14/h1-2,4,6-10,15-16H,3,5,11-12H2/t6-,7?,8?,9?,10-/m1/s1",UGJSYBLVZOFUIX-AGAVPBBISA-N,C10H18N4O3,Not Found,242.279,-2.645324203,4,6,3,2,16s rRNA A SITE,"Heterocyclic paromomycin derivative 2, an aminoglycoside, binds to bacterial 16S rRNA that leads to misreading of the genetic code.",11405670,12888972,,,,,"1) Ding Y, Hofstadler SA, Swayze EE, Griffey RH. An efficient synthesis of mimetics of neamine for RNA recognition. Org Lett. 2001 May 31;3(11):1621-3. doi: 10.1021/ol015794g. PMID: 11405670. 2) Ding Y, Hofstadler SA, Swayze EE, Risen L, Griffey RH. Design and synthesis of paromomycin-related heterocycle-substituted aminoglycoside mimetics based on a mass spectrometry RNA-binding assay. Angew Chem Int Ed Engl. 2003 Jul 28;42(29):3409-12. doi: 10.1002/anie.200351354. PMID: 12888972.","2) Ding Y, Hofstadler SA, Swayze EE, Risen L, Griffey RH. Design and synthesis of paromomycin-related heterocycle-substituted aminoglycoside mimetics based on a mass spectrometry RNA-binding assay. Angew Chem Int Ed Engl. 2003 Jul 28;42(29):3409-12. doi: 10.1002/anie.200351354. PMID: 12888972.",,,,,https://pubmed.ncbi.nlm.nih.gov/11405670/,https://pubmed.ncbi.nlm.nih.gov/12888972/,,,,,Not Found,No,No,,,,
DBoRL1861,Heterocyclic paromomycin derivative 3,"(3R,6R)-4,6-diamino-3-[(1H-1,2,3-triazol-1-yl)methoxy]cyclohexane-1,2-diol",N[C@@H]1CC(N)[C@@H](OCN2C=CN=N2)C(O)C1O,"InChI=1S/C9H17N5O3/c10-5-3-6(11)9(8(16)7(5)15)17-4-14-2-1-12-13-14/h1-2,5-9,15-16H,3-4,10-11H2/t5-,6?,7?,8?,9-/m1/s1",IOGGZHVLGOBMLW-NHMDFMCYSA-N,C9H17N5O3,Not Found,243.267,-2.703546029,4,7,3,2,16s rRNA A SITE,"Heterocyclic paromomycin derivative 3, an aminoglycoside, binds to bacterial 16S rRNA that leads to misreading of the genetic code.",11405670,12888972,,,,,"1) Ding Y, Hofstadler SA, Swayze EE, Griffey RH. An efficient synthesis of mimetics of neamine for RNA recognition. Org Lett. 2001 May 31;3(11):1621-3. doi: 10.1021/ol015794g. PMID: 11405670. 2) Ding Y, Hofstadler SA, Swayze EE, Risen L, Griffey RH. Design and synthesis of paromomycin-related heterocycle-substituted aminoglycoside mimetics based on a mass spectrometry RNA-binding assay. Angew Chem Int Ed Engl. 2003 Jul 28;42(29):3409-12. doi: 10.1002/anie.200351354. PMID: 12888972.","2) Ding Y, Hofstadler SA, Swayze EE, Risen L, Griffey RH. Design and synthesis of paromomycin-related heterocycle-substituted aminoglycoside mimetics based on a mass spectrometry RNA-binding assay. Angew Chem Int Ed Engl. 2003 Jul 28;42(29):3409-12. doi: 10.1002/anie.200351354. PMID: 12888972.",,,,,https://pubmed.ncbi.nlm.nih.gov/11405670/,https://pubmed.ncbi.nlm.nih.gov/12888972/,,,,,Not Found,No,No,,,,
DBoRL1862,Heterocyclic paromomycin derivative 4,"(3R,6R)-4,6-diamino-3-[(1H-1,2,4-triazol-1-yl)methoxy]cyclohexane-1,2-diol",N[C@@H]1CC(N)[C@@H](OCN2C=NC=N2)C(O)C1O,"InChI=1S/C9H17N5O3/c10-5-1-6(11)9(8(16)7(5)15)17-4-14-3-12-2-13-14/h2-3,5-9,15-16H,1,4,10-11H2/t5-,6?,7?,8?,9-/m1/s1",LZRHJNSLQNSIJS-NHMDFMCYSA-N,C9H17N5O3,Not Found,243.267,-3.00918983,4,7,3,2,16s rRNA A SITE,"Heterocyclic paromomycin derivative 4, an aminoglycoside, binds to bacterial 16S rRNA that leads to misreading of the genetic code.",11405670,12888972,,,,,"1) Ding Y, Hofstadler SA, Swayze EE, Griffey RH. An efficient synthesis of mimetics of neamine for RNA recognition. Org Lett. 2001 May 31;3(11):1621-3. doi: 10.1021/ol015794g. PMID: 11405670. 2) Ding Y, Hofstadler SA, Swayze EE, Risen L, Griffey RH. Design and synthesis of paromomycin-related heterocycle-substituted aminoglycoside mimetics based on a mass spectrometry RNA-binding assay. Angew Chem Int Ed Engl. 2003 Jul 28;42(29):3409-12. doi: 10.1002/anie.200351354. PMID: 12888972.","2) Ding Y, Hofstadler SA, Swayze EE, Risen L, Griffey RH. Design and synthesis of paromomycin-related heterocycle-substituted aminoglycoside mimetics based on a mass spectrometry RNA-binding assay. Angew Chem Int Ed Engl. 2003 Jul 28;42(29):3409-12. doi: 10.1002/anie.200351354. PMID: 12888972.",,,,,https://pubmed.ncbi.nlm.nih.gov/11405670/,https://pubmed.ncbi.nlm.nih.gov/12888972/,,,,,Not Found,No,No,,,,
DBoRL1863,Adenosine,"2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O,"InChI=1/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)",OIRDTQYFTABQOQ-UHFFFAOYNA-N,C10H13N5O4,Not Found,267.245,-2.090963872,4,8,2,3,37 nucleotide RNA,RNA aptamer has the ability to binds with adenosine. ,11539282,7508262,,,,,"1) Burgstaller, P. et al. Angew. Isolation of RNA Aptamers for Biological Cofactors by In Vitro Selection  Chem., Int. Ed. Engl. 1994,33, 1085","2) Lauhon CT, Szostak JW. RNA aptamers that bind flavin and nicotinamide redox cofactors. J Am Chem Soc. 1995 Feb 1;117(4):1246-57. doi: 10.1021/ja00109a008. PMID: 11539282. 3) Lorsch JR, Szostak JW. In vitro selection of RNA aptamers specific for cyanocobalamin. Biochemistry. 1994 Feb 1;33(4):973-82. doi: 10.1021/bi00170a016. PMID: 7508262. ",,,,,https://pubmed.ncbi.nlm.nih.gov/11539282/,https://pubmed.ncbi.nlm.nih.gov/7508262/,,,,,191,Yes,Yes,Investigational,DB00640,https://go.drugbank.com/drugs/DB00640,
DBoRL1864,Paromomycin,"(2R,3S,4R,5R,6S)-5-amino-6-{[(1R,3S,4R,6S)-4,6-diamino-2-{[(2S,3R,4S,5R)-4-{[(3R,4R,5S,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl]oxy}-2-(hydroxymethyl)oxane-3,4-diol",N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)C(O[C@@H]2O[C@H](CO)[C@@H](OC3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@H]2O)[C@H]1O,"InChI=1S/C23H44N4O15/c24-5-1-6(25)18(40-21-10(26)15(34)13(32)7(2-28)37-21)20(12(5)31)42-23-17(36)19(9(4-30)39-23)41-22-11(27)16(35)14(33)8(3-29)38-22/h5-23,28-36H,1-4,24-27H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20?,21-,22?,23+/m1/s1",VCHIDEKSPVNIGR-HLEUGBHXSA-N,C23H44N4O15,Not Found,616.618,-8.201414153,13,19,9,4,1J7T Escherichia coli 16S rRNA A site: 5'-[r(CGCGUCACACCGGUGAAGUCGC)]-3',Paromomycin interacts with the decoding-site (A site) ribosomal RNA and disruption of the mRNA-decoding fidelity.,11587639,19585638,,,,,"1) Vicens Q, Westhof E. Crystal structure of paromomycin docked into the eubacterial ribosomal decoding A site. Structure. 2001 Aug;9(8):647-58. doi: 10.1016/s0969-2126(01)00629-3. PMID: 11587639.","2) Katsoulis IA, Pyrkotis C, Papakyriakou A, Kythreoti G, Zografos AL, Mavridis I, Nahmias VR, Anastasopoulou P, Vourloumis D. Unnatural rigid scaffolds targeting the bacterial ribosome. Chembiochem. 2009 Aug 17;10(12):1969-72. doi: 10.1002/cbic.200900268. PMID: 19585638.",,,,,https://pubmed.ncbi.nlm.nih.gov/11587639/,https://pubmed.ncbi.nlm.nih.gov/19585638/,,,,,Not Found,Yes,Yes,Investigational,DB01421,https://go.drugbank.com/drugs/DB01421,This is the isomeric form of the drug approved by USFDA.
DBoRL1865,HTP 20,2-[(9-{[4-({2-[2-(4-aminobutanamido)-3-hydroxypropanamido]-3-methylbutanamido}methyl)phenyl]amino}acridin-4-yl)formamido]-5-carbamimidamidopentanamide,CC(C)C(NC(=O)C(CO)NC(=O)CCCN)C(=O)NCc1ccc(Nc2c3ccccc3nc3c(C(=O)NC(CCCNC(=N)N)C(N)=O)cccc23)cc1,"InChI=1/C39H51N11O6/c1-22(2)32(50-37(55)30(21-51)47-31(52)13-6-18-40)38(56)45-20-23-14-16-24(17-15-23)46-33-25-8-3-4-11-28(25)48-34-26(33)9-5-10-27(34)36(54)49-29(35(41)53)12-7-19-44-39(42)43/h3-5,8-11,14-17,22,29-30,32,51H,6-7,12-13,18-21,40H2,1-2H3,(H2,41,53)(H,45,56)(H,46,48)(H,47,52)(H,49,54)(H,50,55)(H4,42,43,44)",OWFYVHWGZKJLKL-UHFFFAOYNA-N,C39H51N11O6,Not Found,769.908,-0.74759456,11,12,20,4,Aptamer,HTP 20 is a mediator of the RNA regulation of RNA-dependent protein kinase (PKR).,12210987,10987431,10052960,10413496,12135355,,"1) Carlson CB, Spanggord RJ, Beal PA. Selection of small-molecule mediators of the RNA regulation of PKR, the RNA-dependent protein kinase. Chembiochem. 2002 Sep 2;3(9):859-65. doi: 10.1002/1439-7633(20020902)3:9<859::AID-CBIC859>3.0.CO;2-J. PMID: 12210987.","2) Carlson CB, Beal PA. Solid-phase synthesis of acridine-based threading intercalator peptides. Bioorg Med Chem Lett. 2000 Sep 4;10(17):1979-82. doi: 10.1016/s0960-894x(00)00388-7. PMID: 10987431.","3) Todd AK, Adams A, Thorpe JH, Denny WA, Wakelin LP, Cardin CJ. Major groove binding and 'DNA-induced' fit in the intercalation of a derivative of the mixed topoisomerase I/II poison N-(2-(dimethylamino)ethyl)acridine-4-carboxamide (DACA) into DNA: X-ray structure complexed to d(CG(5-BrU)ACG)2 at 1.3-A resolution. J Med Chem. 1999 Feb 25;42(4):536-40. doi: 10.1021/jm980479u. PMID: 10052960.","4) Adams A, Guss JM, Collyer CA, Denny WA, Wakelin LP. Crystal structure of the topoisomerase II poison 9-amino-[N-(2-dimethylamino)ethyl]acridine-4-carboxamide bound to the DNA hexanucleotide d(CGTACG)2. Biochemistry. 1999 Jul 20;38(29):9221-33. doi: 10.1021/bi990352m. PMID: 10413496.","5) Malinina L, Soler-L?pez M, Aymam? J, Subirana JA. Intercalation of an acridine-peptide drug in an AA/TT base step in the crystal structure of [d(CGCGAATTCGCG)](2) with six duplexes and seven Mg(2+) ions in the asymmetric unit. Biochemistry. 2002 Jul 30;41(30):9341-8. doi: 10.1021/bi020135c. PMID: 12135355.",,https://pubmed.ncbi.nlm.nih.gov/12210987/,https://pubmed.ncbi.nlm.nih.gov/10987431/,https://pubmed.ncbi.nlm.nih.gov/10052960/,https://pubmed.ncbi.nlm.nih.gov/10413496/,https://pubmed.ncbi.nlm.nih.gov/12135355/,,Not Found,No,No,,,,
DBoRL1866,HTP 21,6-amino-2-(6-amino-2-{3-amino-2-[(9-{[4-(aminomethyl)phenyl]amino}acridin-4-yl)formamido]propanamido}hexanamido)hexanoic acid,NCCCCC(NC(=O)C(CCCCN)NC(=O)C(CN)NC(=O)c1cccc2c(Nc3ccc(CN)cc3)c3ccccc3nc12)C(=O)O,"InChI=1/C36H47N9O5/c37-18-5-3-12-28(34(47)44-29(36(49)50)13-4-6-19-38)43-35(48)30(21-40)45-33(46)26-10-7-9-25-31(41-23-16-14-22(20-39)15-17-23)24-8-1-2-11-27(24)42-32(25)26/h1-2,7-11,14-17,28-30H,3-6,12-13,18-21,37-40H2,(H,41,42)(H,43,48)(H,44,47)(H,45,46)(H,49,50)",YAECOXRHZUVFSS-UHFFFAOYNA-N,C36H47N9O5,Not Found,685.83,-1.947106666,9,11,19,4,Helix 22 of E.coli 16s RNA,HTP 21 is a mediator of the RNA regulation of RNA-dependent protein kinase (PKR).,12210987,10987431,10052960,10413496,12135355,,"1) Carlson CB, Spanggord RJ, Beal PA. Selection of small-molecule mediators of the RNA regulation of PKR, the RNA-dependent protein kinase. Chembiochem. 2002 Sep 2;3(9):859-65. doi: 10.1002/1439-7633(20020902)3:9<859::AID-CBIC859>3.0.CO;2-J. PMID: 12210987.","2) Carlson CB, Beal PA. Solid-phase synthesis of acridine-based threading intercalator peptides. Bioorg Med Chem Lett. 2000 Sep 4;10(17):1979-82. doi: 10.1016/s0960-894x(00)00388-7. PMID: 10987431.","3) Todd AK, Adams A, Thorpe JH, Denny WA, Wakelin LP, Cardin CJ. Major groove binding and 'DNA-induced' fit in the intercalation of a derivative of the mixed topoisomerase I/II poison N-(2-(dimethylamino)ethyl)acridine-4-carboxamide (DACA) into DNA: X-ray structure complexed to d(CG(5-BrU)ACG)2 at 1.3-A resolution. J Med Chem. 1999 Feb 25;42(4):536-40. doi: 10.1021/jm980479u. PMID: 10052960.","4) Adams A, Guss JM, Collyer CA, Denny WA, Wakelin LP. Crystal structure of the topoisomerase II poison 9-amino-[N-(2-dimethylamino)ethyl]acridine-4-carboxamide bound to the DNA hexanucleotide d(CGTACG)2. Biochemistry. 1999 Jul 20;38(29):9221-33. doi: 10.1021/bi990352m. PMID: 10413496.","5) Malinina L, Soler-L?pez M, Aymam? J, Subirana JA. Intercalation of an acridine-peptide drug in an AA/TT base step in the crystal structure of [d(CGCGAATTCGCG)](2) with six duplexes and seven Mg(2+) ions in the asymmetric unit. Biochemistry. 2002 Jul 30;41(30):9341-8. doi: 10.1021/bi020135c. PMID: 12135355.",,https://pubmed.ncbi.nlm.nih.gov/12210987/,https://pubmed.ncbi.nlm.nih.gov/10987431/,https://pubmed.ncbi.nlm.nih.gov/10052960/,https://pubmed.ncbi.nlm.nih.gov/10413496/,https://pubmed.ncbi.nlm.nih.gov/12135355/,,Not Found,No,No,,,,
DBoRL1867,Benzimidazole analog rRNA 1,"2-(piperidin-4-yl)-1H-1,3-benzodiazol-5-amine",Nc1ccc2[nH]c(C3CCNCC3)nc2c1,"InChI=1S/C12H16N4/c13-9-1-2-10-11(7-9)16-12(15-10)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6,13H2,(H,15,16)",CEKYEYBQFNDAIP-UHFFFAOYSA-N,C12H16N4,Not Found,216.288,0.657220663,3,3,1,3,16s rRNA A SITE,"Benzimidazole analog rRNA 1, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,44374805,No,No,,,,
DBoRL1868,Benzimidazole analog rRNA 10,"3-(5-nitro-1H-1,3-benzodiazol-2-yl)cyclopentan-1-amine",NC1CCC(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1,"InChI=1/C12H14N4O2/c13-8-2-1-7(5-8)12-14-10-4-3-9(16(17)18)6-11(10)15-12/h3-4,6-8H,1-2,5,13H2,(H,14,15)",WLJVCSBOPQSFFS-UHFFFAOYNA-N,C12H14N4O2,Not Found,246.27,1.497886148,2,4,2,3,16s rRNA A SITE,"Benzimidazole analog rRNA 10, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,Not Found,No,No,,,,
DBoRL1869,Benzimidazole analog rRNA 11,"1-[4-(5-nitro-1H-1,3-benzodiazol-2-yl)piperidin-1-yl]ethan-1-one",CC(=O)N1CCC(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1,"InChI=1S/C14H16N4O3/c1-9(19)17-6-4-10(5-7-17)14-15-12-3-2-11(18(20)21)8-13(12)16-14/h2-3,8,10H,4-7H2,1H3,(H,15,16)",IHHWWXUYKQFQGS-UHFFFAOYSA-N,C14H16N4O3,Not Found,288.307,1.036073082,1,4,2,3,16s rRNA A SITE,"Benzimidazole analog rRNA 11, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,44374657,No,No,,,,
DBoRL1870,Benzimidazole analog rRNA 12,"2-(1-methylpiperidin-4-yl)-5-nitro-1H-1,3-benzodiazole",CN1CCC(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1,"InChI=1S/C13H16N4O2/c1-16-6-4-9(5-7-16)13-14-11-3-2-10(17(18)19)8-12(11)15-13/h2-3,8-9H,4-7H2,1H3,(H,14,15)",GSQSUSQFAPESAW-UHFFFAOYSA-N,C13H16N4O2,Not Found,260.297,1.809178744,1,4,2,3,16s rRNA A SITE,"Benzimidazole analog rRNA 12, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,9795161,No,No,,,,
DBoRL1871,Benzimidazole analog rRNA 13,"5-methoxy-2-(piperidin-4-yl)-1H-1,3-benzodiazole",COc1ccc2[nH]c(C3CCNCC3)nc2c1,"InChI=1S/C13H17N3O/c1-17-10-2-3-11-12(8-10)16-13(15-11)9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3,(H,15,16)",BOXYYPUGLOCCOE-UHFFFAOYSA-N,C13H17N3O,578709-04-3,231.299,1.328475352,2,3,2,3,16s rRNA A SITE,"Benzimidazole analog rRNA 13, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,24252556,No,No,,,,
DBoRL1872,Benzimidazole analog rRNA 14,"5-methyl-2-(piperidin-4-yl)-1H-1,3-benzodiazole",Cc1ccc2[nH]c(C3CCNCC3)nc2c1,"InChI=1S/C13H17N3/c1-9-2-3-11-12(8-9)16-13(15-11)10-4-6-14-7-5-10/h2-3,8,10,14H,4-7H2,1H3,(H,15,16)",SGSHCWRNRXJLTC-UHFFFAOYSA-N,C13H17N3,295790-48-6,215.3,1.999568007,2,2,1,3,16s rRNA A SITE,"Benzimidazole analog rRNA 14, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,16876710,No,No,,,,
DBoRL1873,Benzimidazole analog rRNA 15,"5-bromo-2-(piperidin-4-yl)-1H-1,3-benzodiazole",Brc1ccc2[nH]c(C3CCNCC3)nc2c1,"InChI=1S/C12H14BrN3/c13-9-1-2-10-11(7-9)16-12(15-10)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2,(H,15,16)",JGTQZDUEIGZJCX-UHFFFAOYSA-N,C12H14BrN3,578709-05-4,280.169,2.254899243,2,2,1,3,16s rRNA A SITE,"Benzimidazole analog rRNA 15, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,44374626,No,No,,,,
DBoRL1874,Benzimidazole analog rRNA 16,"5-chloro-2-(piperidin-4-yl)-1H-1,3-benzodiazole",Clc1ccc2[nH]c(C3CCNCC3)nc2c1,"InChI=1S/C12H14ClN3/c13-9-1-2-10-11(7-9)16-12(15-10)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2,(H,15,16)",ITMGAACWHFDJNC-UHFFFAOYSA-N,C12H14ClN3,578709-06-5,235.72,2.090191294,2,2,1,3,16s rRNA A SITE,"Benzimidazole analog rRNA 16, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,16767385,No,No,,,,
DBoRL1875,Benzimidazole analog rRNA 17,"2-(piperidin-4-yl)-5-(trifluoromethyl)-1H-1,3-benzodiazole",FC(F)(F)c1ccc2[nH]c(C3CCNCC3)nc2c1,"InChI=1S/C13H14F3N3/c14-13(15,16)9-1-2-10-11(7-9)19-12(18-10)8-3-5-17-6-4-8/h1-2,7-8,17H,3-6H2,(H,18,19)",BDJQEACTFJZNOC-UHFFFAOYSA-N,C13H14F3N3,578709-07-6,269.271,2.363995099,2,2,2,3,16s rRNA A SITE,"Benzimidazole analog rRNA 17, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,44374979,No,No,,,,
DBoRL1876,Benzimidazole analog rRNA 18,"5-chloro-6-methyl-2-(piperidin-4-yl)-1H-1,3-benzodiazole",Cc1cc2[nH]c(C3CCNCC3)nc2cc1Cl,"InChI=1S/C13H16ClN3/c1-8-6-11-12(7-10(8)14)17-13(16-11)9-2-4-15-5-3-9/h6-7,9,15H,2-5H2,1H3,(H,16,17)",BQGVHBKJDPWIDO-UHFFFAOYSA-N,C13H16ClN3,Not Found,249.74,2.603612683,2,2,1,3,16s rRNA A SITE,"Benzimidazole analog rRNA 18, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,44374978,No,No,,,,
DBoRL1877,Benzimidazole analog rRNA 19,"5,6-dichloro-2-(piperidin-4-yl)-1H-1,3-benzodiazole",Clc1cc2nc(C3CCNCC3)[nH]c2cc1Cl,"InChI=1S/C12H13Cl2N3/c13-8-5-10-11(6-9(8)14)17-12(16-10)7-1-3-15-4-2-7/h5-7,15H,1-4H2,(H,16,17)",RLULJFAFKCOCFR-UHFFFAOYSA-N,C12H13Cl2N3,578708-01-7,270.16,2.69423597,2,2,1,3,16s rRNA A SITE,"Benzimidazole analog rRNA 19, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,508378,No,No,,,,
DBoRL1878,Benzimidazole analog rRNA 2,"5-nitro-2-(piperidin-4-yl)-1H-1,3-benzodiazole",O=[N+]([O-])c1ccc2[nH]c(C3CCNCC3)nc2c1,"InChI=1S/C12H14N4O2/c17-16(18)9-1-2-10-11(7-9)15-12(14-10)8-3-5-13-6-4-8/h1-2,7-8,13H,3-6H2,(H,14,15)",ORQGRXRMWXVWAP-UHFFFAOYSA-N,C12H14N4O2,521298-40-8,246.27,1.426130807,2,4,2,3,16s rRNA A SITE,"Benzimidazole analog rRNA 2, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,1530246,No,No,,,,
DBoRL1879,Benzimidazole analog rRNA 20,"2-(piperidin-4-yl)-1H-1,3-benzodiazole",c1ccc2[nH]c(C3CCNCC3)nc2c1,"InChI=1S/C12H15N3/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2,(H,14,15)",HBOGHPAOOWUTLB-UHFFFAOYSA-N,C12H15N3,38385-95-4,201.273,1.486146617,2,2,1,3,16s rRNA A SITE,"Benzimidazole analog rRNA 20, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,715810,No,No,,,,
DBoRL1880,Benzimidazole analog rRNA 21,"4-{1H-imidazo[4,5-c]pyridin-2-yl}piperidine",c1cc2[nH]c(C3CCNCC3)nc2cn1,"InChI=1S/C11H14N4/c1-4-12-5-2-8(1)11-14-9-3-6-13-7-10(9)15-11/h3,6-8,12H,1-2,4-5H2,(H,14,15)",WDEVWLXKLCSSAA-UHFFFAOYSA-N,C11H14N4,578709-09-8,202.261,0.031822065,2,3,1,3,16s rRNA A SITE,"Benzimidazole analog rRNA 21, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,22308651,No,No,,,,
DBoRL1881,Benzimidazole analog rRNA 22,"4-{1H-imidazo[4,5-b]pyridin-2-yl}piperidine",c1cnc2nc(C3CCNCC3)[nH]c2c1,"InChI=1S/C11H14N4/c1-2-9-11(13-5-1)15-10(14-9)8-3-6-12-7-4-8/h1-2,5,8,12H,3-4,6-7H2,(H,13,14,15)",VJKGFMGCWPESKG-UHFFFAOYSA-N,C11H14N4,578709-10-1,202.261,0.216920366,2,3,1,3,16s rRNA A SITE,"Benzimidazole analog rRNA 22, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,22308650,No,No,,,,
DBoRL1882,Benzimidazole analog rRNA 23,8-(piperidin-4-yl)-7H-purine,c1ncc2[nH]c(C3CCNCC3)nc2n1,"InChI=1S/C10H13N5/c1-3-11-4-2-7(1)9-14-8-5-12-6-13-10(8)15-9/h5-7,11H,1-4H2,(H,12,13,14,15)",KJZSUHGHPROGFR-UHFFFAOYSA-N,C10H13N5,Not Found,203.249,-0.937864611,2,4,1,3,16s rRNA A SITE,"Benzimidazole analog rRNA 23, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,44374953,No,No,,,,
DBoRL1883,Benzimidazole analog rRNA 24,"2-(piperidin-4-yl)-1,3-benzothiazole",c1ccc2sc(C3CCNCC3)nc2c1,"InChI=1S/C12H14N2S/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2",CYASANLJWAJEPW-UHFFFAOYSA-N,C12H14N2S,51784-73-7,218.32,2.340114384,1,2,1,3,16s rRNA A SITE,"Benzimidazole analog rRNA 24, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,1477439,No,No,,,,
DBoRL1884,Benzimidazole analog rRNA 25,"5,6-dichloro-2-(piperidin-4-yl)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-1,3-benzodiazole",FC(F)(F)c1ccc(Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)cc1,"InChI=1S/C20H18Cl2F3N3/c21-15-9-17-18(10-16(15)22)28(19(27-17)13-5-7-26-8-6-13)11-12-1-3-14(4-2-12)20(23,24)25/h1-4,9-10,13,26H,5-8,11H2",YEMSAPQNWXZRSN-UHFFFAOYSA-N,C20H18Cl2F3N3,Not Found,428.28,5.520233635,1,2,4,4,16s rRNA A SITE,"Benzimidazole analog rRNA 25, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,44375167,No,No,,,,
DBoRL1885,Benzimidazole analog rRNA 26,"1-{[2,4-bis(trifluoromethyl)phenyl]methyl}-5,6-dichloro-2-(piperidin-4-yl)-1H-1,3-benzodiazole",FC(F)(F)c1ccc(Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)c(C(F)(F)F)c1,"InChI=1S/C21H17Cl2F6N3/c22-15-8-17-18(9-16(15)23)32(19(31-17)11-3-5-30-6-4-11)10-12-1-2-13(20(24,25)26)7-14(12)21(27,28)29/h1-2,7-9,11,30H,3-6,10H2",JKZJGSLVTMJKDI-UHFFFAOYSA-N,C21H17Cl2F6N3,Not Found,496.28,6.398082116,1,2,5,4,16s rRNA A SITE,"Benzimidazole analog rRNA 26, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,44375264,No,No,,,,
DBoRL1886,Benzimidazole analog rRNA 27,"5,6-dichloro-1-[(2,3,4,5,6-pentafluorophenyl)methyl]-2-(piperidin-4-yl)-1H-1,3-benzodiazole",Fc1c(F)c(F)c(Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)c(F)c1F,"InChI=1S/C19H14Cl2F5N3/c20-10-5-12-13(6-11(10)21)29(19(28-12)8-1-3-27-4-2-8)7-9-14(22)16(24)18(26)17(25)15(9)23/h5-6,8,27H,1-4,7H2",YJWBHCCDYIDBAY-UHFFFAOYSA-N,C19H14Cl2F5N3,Not Found,450.23,5.355894835,1,2,3,4,16s rRNA A SITE,"Benzimidazole analog rRNA 27, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,44375263,No,No,,,,
DBoRL1887,Benzimidazole analog rRNA 28,"5,6-dichloro-2-(piperidin-4-yl)-1-{[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methyl}-1H-1,3-benzodiazole",Fc1c(F)c(C(F)(F)F)c(F)c(F)c1Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21,"InChI=1S/C20H14Cl2F7N3/c21-10-5-12-13(6-11(10)22)32(19(31-12)8-1-3-30-4-2-8)7-9-15(23)17(25)14(20(27,28)29)18(26)16(9)24/h5-6,8,30H,1-4,7H2",RMMLCFVAXREZOP-UHFFFAOYSA-N,C20H14Cl2F7N3,Not Found,500.24,6.09104138,1,2,4,4,16s rRNA A SITE,"Benzimidazole analog rRNA 28, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,44375262,No,No,,,,
DBoRL1888,Benzimidazole analog rRNA 29,"5,6-dichloro-1-[(4-nitrophenyl)methyl]-2-(piperidin-4-yl)-1H-1,3-benzodiazole",O=[N+]([O-])c1ccc(Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)cc1,"InChI=1S/C19H18Cl2N4O2/c20-15-9-17-18(10-16(15)21)24(19(23-17)13-5-7-22-8-6-13)11-12-1-3-14(4-2-12)25(26)27/h1-4,9-10,13,22H,5-8,11H2",WFUOVHQCFNMJNL-UHFFFAOYSA-N,C19H18Cl2N4O2,Not Found,405.28,4.582369342,1,4,4,4,16s rRNA A SITE,"Benzimidazole analog rRNA 29, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,508383,No,No,,,,
DBoRL1889,Benzimidazole analog rRNA 3,"2-cyclohexyl-5-nitro-1H-1,3-benzodiazole",O=[N+]([O-])c1ccc2[nH]c(C3CCCCC3)nc2c1,"InChI=1S/C13H15N3O2/c17-16(18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,14,15)",PLKPKIIZGCWKSF-UHFFFAOYSA-N,C13H15N3O2,51759-50-3,245.282,3.436055137,1,3,2,3,16s rRNA A SITE,"Benzimidazole analog rRNA 3, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,762907,No,No,,,,
DBoRL1890,Benzimidazole analog rRNA 30,"methyl 4-{[5,6-dichloro-2-(piperidin-4-yl)-1H-1,3-benzodiazol-1-yl]methyl}benzoate",COC(=O)c1ccc(Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)cc1,"InChI=1S/C21H21Cl2N3O2/c1-28-21(27)15-4-2-13(3-5-15)12-26-19-11-17(23)16(22)10-18(19)25-20(26)14-6-8-24-9-7-14/h2-5,10-11,14,24H,6-9,12H2,1H3",DYVFITXXIRKWHC-UHFFFAOYSA-N,C21H21Cl2N3O2,Not Found,418.32,4.645862117,1,3,5,4,16s rRNA A SITE,"Benzimidazole analog rRNA 30, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,44374772,No,No,,,,
DBoRL1891,Benzimidazole analog rRNA 31,"5,6-dichloro-1-[(4-iodophenyl)methyl]-2-(piperidin-4-yl)-1H-1,3-benzodiazole",Clc1cc2nc(C3CCNCC3)n(Cc3ccc(I)cc3)c2cc1Cl,"InChI=1S/C19H18Cl2IN3/c20-15-9-17-18(10-16(15)21)25(11-12-1-3-14(22)4-2-12)19(24-17)13-5-7-23-8-6-13/h1-4,9-10,13,23H,5-8,11H2",BGYHMFATNXHCEZ-UHFFFAOYSA-N,C19H18Cl2IN3,Not Found,486.18,5.571329631,1,2,3,4,16s rRNA A SITE,"Benzimidazole analog rRNA 31, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,44375012,No,No,,,,
DBoRL1892,Benzimidazole analog rRNA 32,"5,6-dichloro-1-[(3-iodophenyl)methyl]-2-(piperidin-4-yl)-1H-1,3-benzodiazole",Clc1cc2nc(C3CCNCC3)n(Cc3cccc(I)c3)c2cc1Cl,"InChI=1S/C19H18Cl2IN3/c20-15-9-17-18(10-16(15)21)25(11-12-2-1-3-14(22)8-12)19(24-17)13-4-6-23-7-5-13/h1-3,8-10,13,23H,4-7,11H2",ZFQYDWYMVOTKNZ-UHFFFAOYSA-N,C19H18Cl2IN3,Not Found,486.18,5.571329631,1,2,3,4,16s rRNA A SITE,"Benzimidazole analog rRNA 32, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,44374771,No,No,,,,
DBoRL1893,Benzimidazole analog rRNA 33,"1-[(4-bromophenyl)methyl]-5,6-dichloro-2-(piperidin-4-yl)-1H-1,3-benzodiazole",Clc1cc2nc(C3CCNCC3)n(Cc3ccc(Br)cc3)c2cc1Cl,"InChI=1S/C19H18BrCl2N3/c20-14-3-1-12(2-4-14)11-25-18-10-16(22)15(21)9-17(18)24-19(25)13-5-7-23-8-6-13/h1-4,9-10,13,23H,5-8,11H2",SOFKFSOURYAAOR-UHFFFAOYSA-N,C19H18BrCl2N3,Not Found,439.18,5.411137778,1,2,3,4,16s rRNA A SITE,"Benzimidazole analog rRNA 33, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,44375011,No,No,,,,
DBoRL1894,Benzimidazole analog rRNA 34,"1-[(4-tert-butylphenyl)methyl]-5,6-dichloro-2-(piperidin-4-yl)-1H-1,3-benzodiazole",CC(C)(C)c1ccc(Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)cc1,"InChI=1S/C23H27Cl2N3/c1-23(2,3)17-6-4-15(5-7-17)14-28-21-13-19(25)18(24)12-20(21)27-22(28)16-8-10-26-11-9-16/h4-7,12-13,16,26H,8-11,14H2,1-3H3",JSKMWYPPGAYENT-UHFFFAOYSA-N,C23H27Cl2N3,Not Found,416.39,6.187441424,1,2,4,4,16s rRNA A SITE,"Benzimidazole analog rRNA 34, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,44375218,No,No,,,,
DBoRL1895,Benzimidazole analog rRNA 35,"5,6-dichloro-2-(piperidin-4-yl)-1-[(pyridin-4-yl)methyl]-1H-1,3-benzodiazole",Clc1cc2nc(C3CCNCC3)n(Cc3ccncc3)c2cc1Cl,"InChI=1S/C18H18Cl2N4/c19-14-9-16-17(10-15(14)20)24(11-12-1-5-21-6-2-12)18(23-16)13-3-7-22-8-4-13/h1-2,5-6,9-10,13,22H,3-4,7-8,11H2",BORHXPPYEHZCOI-UHFFFAOYSA-N,C18H18Cl2N4,578708-03-9,361.27,3.424712726,1,3,3,4,16s rRNA A SITE,"Benzimidazole analog rRNA 35, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,508380,No,No,,,,
DBoRL1896,Benzimidazole analog rRNA 36,"5,6-dichloro-2-(piperidin-4-yl)-1-[(pyridin-3-yl)methyl]-1H-1,3-benzodiazole",Clc1cc2nc(C3CCNCC3)n(Cc3cccnc3)c2cc1Cl,"InChI=1S/C18H18Cl2N4/c19-14-8-16-17(9-15(14)20)24(11-12-2-1-5-22-10-12)18(23-16)13-3-6-21-7-4-13/h1-2,5,8-10,13,21H,3-4,6-7,11H2",QYVIFRUMPSWENH-UHFFFAOYSA-N,C18H18Cl2N4,578708-04-0,361.27,3.424712726,1,3,3,4,16s rRNA A SITE,"Benzimidazole analog rRNA 36, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,508381,No,No,,,,
DBoRL1897,Benzimidazole analog rRNA 37,"1-butyl-5,6-dichloro-2-(piperidin-4-yl)-1H-1,3-benzodiazole",CCCCn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21,"InChI=1S/C16H21Cl2N3/c1-2-3-8-21-15-10-13(18)12(17)9-14(15)20-16(21)11-4-6-19-7-5-11/h9-11,19H,2-8H2,1H3",ZOLSZHJQPOHFIU-UHFFFAOYSA-N,C16H21Cl2N3,Not Found,326.27,4.24181105,1,2,4,3,16s rRNA A SITE,"Benzimidazole analog rRNA 37, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,44374604,No,No,,,,
DBoRL1898,Benzimidazole analog rRNA 38,"5,6-dichloro-1-methyl-2-(piperidin-4-yl)-1H-1,3-benzodiazole",Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21,"InChI=1S/C13H15Cl2N3/c1-18-12-7-10(15)9(14)6-11(12)17-13(18)8-2-4-16-5-3-8/h6-8,16H,2-5H2,1H3",NENVLXRYKAAXIR-UHFFFAOYSA-N,C13H15Cl2N3,Not Found,284.18,2.917912036,1,2,1,3,16s rRNA A SITE,"Benzimidazole analog rRNA 38, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,44374602,No,No,,,,
DBoRL1899,Benzimidazole analog rRNA 39,"methyl 2-[5,6-dichloro-2-(piperidin-4-yl)-1H-1,3-benzodiazol-1-yl]acetate",COC(=O)Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21,"InChI=1S/C15H17Cl2N3O2/c1-22-14(21)8-20-13-7-11(17)10(16)6-12(13)19-15(20)9-2-4-18-5-3-9/h6-7,9,18H,2-5,8H2,1H3",WJPZVUNYTCHJDN-UHFFFAOYSA-N,C15H17Cl2N3O2,Not Found,342.22,2.5417894,1,3,4,3,16s rRNA A SITE,"Benzimidazole analog rRNA 39, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,44374756,No,No,,,,
DBoRL1900,Benzimidazole analog rRNA 4,"5-nitro-2-(pyridin-4-yl)-1H-1,3-benzodiazole",O=[N+]([O-])c1ccc2[nH]c(-c3ccncc3)nc2c1,"InChI=1S/C12H8N4O2/c17-16(18)9-1-2-10-11(7-9)15-12(14-10)8-3-5-13-6-4-8/h1-7H,(H,14,15)",MPOIUZUPKNLRIJ-UHFFFAOYSA-N,C12H8N4O2,148533-73-7,240.222,2.006586011,1,4,2,3,16s rRNA A SITE,"Benzimidazole analog rRNA 4, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,617535,No,No,,,,
DBoRL1901,Benzimidazole analog rRNA 40,"1-[(2-bromophenyl)methyl]-5,6-dichloro-2-(piperidin-4-yl)-1H-1,3-benzodiazole",Clc1cc2nc(C3CCNCC3)n(Cc3ccccc3Br)c2cc1Cl,"InChI=1S/C19H18BrCl2N3/c20-14-4-2-1-3-13(14)11-25-18-10-16(22)15(21)9-17(18)24-19(25)12-5-7-23-8-6-12/h1-4,9-10,12,23H,5-8,11H2",CISILVBRWRWQQU-UHFFFAOYSA-N,C19H18BrCl2N3,Not Found,439.18,5.411137778,1,2,3,4,16s rRNA A SITE,"Benzimidazole analog rRNA 40, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,44374755,No,No,,,,
DBoRL1902,Benzimidazole analog rRNA 41,"5,6-dichloro-1-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-(piperidin-4-yl)-1H-1,3-benzodiazole",Clc1ccc2scc(Cn3c(C4CCNCC4)nc4cc(Cl)c(Cl)cc43)c2c1,"InChI=1S/C21H18Cl3N3S/c22-14-1-2-20-15(7-14)13(11-28-20)10-27-19-9-17(24)16(23)8-18(19)26-21(27)12-3-5-25-6-4-12/h1-2,7-9,11-12,25H,3-6,10H2",KECABZBXAOVFDM-UHFFFAOYSA-N,C21H18Cl3N3S,Not Found,450.81,6.122454626,1,2,3,5,16s rRNA A SITE,"Benzimidazole analog rRNA 41, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,44374832,No,No,,,,
DBoRL1903,Benzimidazole analog rRNA 42,"5,6-dichloro-1-{[2-nitro-4-(trifluoromethyl)phenyl]methyl}-2-(piperidin-4-yl)-1H-1,3-benzodiazole",O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21,"InChI=1S/C20H17Cl2F3N4O2/c21-14-8-16-18(9-15(14)22)28(19(27-16)11-3-5-26-6-4-11)10-12-1-2-13(20(23,24)25)7-17(12)29(30)31/h1-2,7-9,11,26H,3-6,10H2",PSHLTEGLBWTSMU-UHFFFAOYSA-N,C20H17Cl2F3N4O2,Not Found,473.28,5.460217824,1,4,5,4,16s rRNA A SITE,"Benzimidazole analog rRNA 42, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,Not Found,No,No,,,,
DBoRL1904,Benzimidazole analog rRNA 43,"5,6-dichloro-1-[(2,4-dinitrophenyl)methyl]-2-(piperidin-4-yl)-1H-1,3-benzodiazole",O=[N+]([O-])c1ccc(Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)c([N+](=O)[O-])c1,"InChI=1S/C19H17Cl2N5O4/c20-14-8-16-18(9-15(14)21)24(19(23-16)11-3-5-22-6-4-11)10-12-1-2-13(25(27)28)7-17(12)26(29)30/h1-2,7-9,11,22H,3-6,10H2",GFSURHHLYLATED-UHFFFAOYSA-N,C19H17Cl2N5O4,Not Found,450.28,4.522353532,1,6,5,4,16s rRNA A SITE,"Benzimidazole analog rRNA 43, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,Not Found,No,No,,,,
DBoRL1905,Benzimidazole analog rRNA 44,"5,6-dichloro-2-(piperidin-4-yl)-1-[(pyrimidin-2-yl)methyl]-1H-1,3-benzodiazole",Clc1cc2nc(C3CCNCC3)n(Cc3ncccn3)c2cc1Cl,"InChI=1S/C17H17Cl2N5/c18-12-8-14-15(9-13(12)19)24(10-16-21-4-1-5-22-16)17(23-14)11-2-6-20-7-3-11/h1,4-5,8-9,11,20H,2-3,6-7,10H2",FEAFIHLXXJHPJY-UHFFFAOYSA-N,C17H17Cl2N5,Not Found,362.26,3.153626451,1,4,3,4,16s rRNA A SITE,"Benzimidazole analog rRNA 44, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,Not Found,No,No,,,,
DBoRL1906,Benzimidazole analog rRNA 45,"5,6-dichloro-1-[(4-methylbenzenesulfonyl)methyl]-2-(piperidin-4-yl)-1H-1,3-benzodiazole",Cc1ccc(S(=O)(=O)Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)cc1,"InChI=1S/C20H21Cl2N3O2S/c1-13-2-4-15(5-3-13)28(26,27)12-25-19-11-17(22)16(21)10-18(19)24-20(25)14-6-8-23-9-7-14/h2-5,10-11,14,23H,6-9,12H2,1H3",HWNPOGWSNBXVIU-UHFFFAOYSA-N,C20H21Cl2N3O2S,Not Found,438.37,4.182243074,1,4,4,4,16s rRNA A SITE,"Benzimidazole analog rRNA 45, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,Not Found,No,No,,,,
DBoRL1907,Benzimidazole analog rRNA 46,"4-methylphenyl 2-[5,6-dichloro-2-(piperidin-4-yl)-1H-1,3-benzodiazol-1-yl]acetate",Cc1ccc(OC(=O)Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)cc1,"InChI=1S/C21H21Cl2N3O2/c1-13-2-4-15(5-3-13)28-20(27)12-26-19-11-17(23)16(22)10-18(19)25-21(26)14-6-8-24-9-7-14/h2-5,10-11,14,24H,6-9,12H2,1H3",HIBDRKNTOGDVKS-UHFFFAOYSA-N,C21H21Cl2N3O2,Not Found,418.32,4.713169238,1,3,5,4,16s rRNA A SITE,"Benzimidazole analog rRNA 46, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,Not Found,No,No,,,,
DBoRL1908,Benzimidazole analog rRNA 47,"2-[5,6-dichloro-2-(piperidin-4-yl)-1H-1,3-benzodiazol-1-yl]acetic acid",O=C(O)Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21,"InChI=1S/C14H15Cl2N3O2/c15-9-5-11-12(6-10(9)16)19(7-13(20)21)14(18-11)8-1-3-17-4-2-8/h5-6,8,17H,1-4,7H2,(H,20,21)",XLEUOOYVBGUIKL-UHFFFAOYSA-N,C14H15Cl2N3O2,Not Found,328.19,-0.080383106,2,4,3,3,16s rRNA A SITE,"Benzimidazole analog rRNA 47, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,44374790,No,No,,,,
DBoRL1909,Benzimidazole analog rRNA 5,"5-nitro-2-(pyridin-3-yl)-1H-1,3-benzodiazole",O=[N+]([O-])c1ccc2[nH]c(-c3cccnc3)nc2c1,"InChI=1S/C12H8N4O2/c17-16(18)9-3-4-10-11(6-9)15-12(14-10)8-2-1-5-13-7-8/h1-7H,(H,14,15)",IIIXDDOCSBCSNQ-UHFFFAOYSA-N,C12H8N4O2,145861-59-2,240.222,2.006586011,1,4,2,3,16s rRNA A SITE,"Benzimidazole analog rRNA 5, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,617536,No,No,,,,
DBoRL1910,Benzimidazole analog rRNA 6,"4-(5-nitro-1H-1,3-benzodiazol-2-yl)aniline",Nc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1,"InChI=1S/C13H10N4O2/c14-9-3-1-8(2-4-9)13-15-11-6-5-10(17(18)19)7-12(11)16-13/h1-7H,14H2,(H,15,16)",VQAXRPAGHNBDHU-UHFFFAOYSA-N,C13H10N4O2,71002-88-5,254.249,2.395332484,2,4,2,3,16s rRNA A SITE,"Benzimidazole analog rRNA 6, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,3089924,No,No,,,,
DBoRL1911,Benzimidazole analog rRNA 7,"3-(5-nitro-1H-1,3-benzodiazol-2-yl)aniline",Nc1cccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)c1,"InChI=1S/C13H10N4O2/c14-9-3-1-2-8(6-9)13-15-11-5-4-10(17(18)19)7-12(11)16-13/h1-7H,14H2,(H,15,16)",HPNUMRLINITVIX-UHFFFAOYSA-N,C13H10N4O2,Not Found,254.249,2.395332484,2,4,2,3,16s rRNA A SITE,"Benzimidazole analog rRNA 7, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,44374814,No,No,,,,
DBoRL1912,Benzimidazole analog rRNA 8,"4-(5-nitro-1H-1,3-benzodiazol-2-yl)cyclohexan-1-amine",NC1CCC(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1,"InChI=1S/C13H16N4O2/c14-9-3-1-8(2-4-9)13-15-11-6-5-10(17(18)19)7-12(11)16-13/h5-9H,1-4,14H2,(H,15,16)",JNXSYEMGYWQASO-UHFFFAOYSA-N,C13H16N4O2,Not Found,260.297,1.942454813,2,4,2,3,16s rRNA A SITE,"Benzimidazole analog rRNA 8, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,44375185,No,No,,,,
DBoRL1913,Benzimidazole analog rRNA 9,"3-(5-nitro-1H-1,3-benzodiazol-2-yl)cyclohexan-1-amine",NC1CCCC(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1,"InChI=1/C13H16N4O2/c14-9-3-1-2-8(6-9)13-15-11-5-4-10(17(18)19)7-12(11)16-13/h4-5,7-9H,1-3,6,14H2,(H,15,16)",WSTLPTFLIRNIRP-UHFFFAOYNA-N,C13H16N4O2,Not Found,260.297,1.942454813,2,4,2,3,16s rRNA A SITE,"Benzimidazole analog rRNA 9, a rRNA-binding benzimidazole, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,44375117,No,No,,,,
DBoRL1914, Nitro substituted benzimidazole (16S A-site RNA),"[2-(piperidin-4-yl)-1H-1,3-benzodiazol-5-yl]azinic acid",ON(=O)C1=CC2=C(NC(=N2)C2CCNCC2)C=C1,"InChI=1/C12H16N4O2/c17-16(18)9-1-2-10-11(7-9)15-12(14-10)8-3-5-13-6-4-8/h1-2,7-8,13,16H,3-6H2,(H,14,15)(H,17,18)",IEJTZNSTYARFGD-UHFFFAOYNA-N,C12H16N4O2,Not Found,248.286,-3.6139,4,5,2,3,16s rRNA A SITE,"Nitro substituted benzimidazole, a rRNA-binding benzimidazoles, targets and binds with bacterial 16s rRNA A site and inhibit the translation process.",14741271,12190303,,,,,"1) He Y, Yang J, Wu B, Robinson D, Sprankle K, Kung PP, Lowery K, Mohan V, Hofstadler S, Swayze EE, Griffey R. Synthesis and evaluation of novel bacterial rRNA-binding benzimidazoles by mass spectrometry. Bioorg Med Chem Lett. 2004 Feb 9;14(3):695-9. doi: 10.1016/j.bmcl.2003.11.031. PMID: 14741271.","2) Swayze EE, Jefferson EA, Sannes-Lowery KA, Blyn LB, Risen LM, Arakawa S, Osgood SA, Hofstadler SA, Griffey RH. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J Med Chem. 2002 Aug 29;45(18):3816-9. doi: 10.1021/jm0255466. PMID: 12190303.",,,,,https://pubmed.ncbi.nlm.nih.gov/14741271/,https://pubmed.ncbi.nlm.nih.gov/12190303/,,,,,Not Found,No,No,,,,
DBoRL1915,Oxazolidinone 1,"methyl 2-{4-benzyl-5-[(cyclohexanecarbonyloxy)methyl]-2-oxo-1,3-oxazolidin-3-yl}benzoate",COC(=O)c1ccccc1N1C(=O)OC(COC(=O)C2CCCCC2)C1Cc1ccccc1,"InChI=1/C26H29NO6/c1-31-25(29)20-14-8-9-15-21(20)27-22(16-18-10-4-2-5-11-18)23(33-26(27)30)17-32-24(28)19-12-6-3-7-13-19/h2,4-5,8-11,14-15,19,22-23H,3,6-7,12-13,16-17H2,1H3",UPDSDECAZNILLY-UHFFFAOYNA-N,C26H29NO6,Not Found,451.519,5.523459487,0,4,9,4,"T-box RNA, T-Box C11U","Usually in gram-positive bacteria, oxazolidinone 1 binds with T box leader sequence in RNA and interferes with regulation of gene expression. ",15013035,16603349,11842119,,,,"1) Bozdogan B, Appelbaum PC. Oxazolidinones: activity, mode of action, and mechanism of resistance. Int J Antimicrob Agents. 2004 Feb;23(2):113-9. doi: 10.1016/j.ijantimicag.2003.11.003. PMID: 15013035.","2) Means J, Katz S, Nayek A, Anupam R, Hines JV, Bergmeier SC. Structure-activity studies of oxazolidinone analogs as RNA-binding agents. Bioorg Med Chem Lett. 2006 Jul 1;16(13):3600-4. doi: 10.1016/j.bmcl.2006.03.068. Epub 2006 Apr 5. PMID: 16603349.","3) Gerdeman MS, Henkin TM, Hines JV. In vitro structure-function studies of the Bacillus subtilis tyrS mRNA antiterminator: evidence for factor-independent tRNA acceptor stem binding specificity. Nucleic Acids Res. 2002 Feb 15;30(4):1065-72. doi: 10.1093/nar/30.4.1065. PMID: 11842119; PMCID: PMC100339.",,,,https://pubmed.ncbi.nlm.nih.gov/15013035/,https://pubmed.ncbi.nlm.nih.gov/16603349/,https://pubmed.ncbi.nlm.nih.gov/11842119/,,,,Not Found,No,No,,,,
DBoRL1916,Oxazolidinone 3,"methyl 2-{5-[(octanoyloxy)methyl]-2-oxo-4-(3-phenylpropyl)-1,3-oxazolidin-3-yl}benzoate",CCCCCCCC(=O)OCC1OC(=O)N(c2ccccc2C(=O)OC)C1CCCc1ccccc1,"InChI=1/C29H37NO6/c1-3-4-5-6-10-20-27(31)35-21-26-25(19-13-16-22-14-8-7-9-15-22)30(29(33)36-26)24-18-12-11-17-23(24)28(32)34-2/h7-9,11-12,14-15,17-18,25-26H,3-6,10,13,16,19-21H2,1-2H3",OPJCHBJNSBYVPW-UHFFFAOYNA-N,C29H37NO6,Not Found,495.616,7.222473771,0,4,16,3,"T-box RNA, T-Box C11U","Usually in gram-positive bacteria, oxazolidinone 3 binds with T box leader sequence in RNA and interferes with regulation of gene expression. ",15013035,16603349,11842119,,,,"1) Bozdogan B, Appelbaum PC. Oxazolidinones: activity, mode of action, and mechanism of resistance. Int J Antimicrob Agents. 2004 Feb;23(2):113-9. doi: 10.1016/j.ijantimicag.2003.11.003. PMID: 15013035.","2) Means J, Katz S, Nayek A, Anupam R, Hines JV, Bergmeier SC. Structure-activity studies of oxazolidinone analogs as RNA-binding agents. Bioorg Med Chem Lett. 2006 Jul 1;16(13):3600-4. doi: 10.1016/j.bmcl.2006.03.068. Epub 2006 Apr 5. PMID: 16603349.","3) Gerdeman MS, Henkin TM, Hines JV. In vitro structure-function studies of the Bacillus subtilis tyrS mRNA antiterminator: evidence for factor-independent tRNA acceptor stem binding specificity. Nucleic Acids Res. 2002 Feb 15;30(4):1065-72. doi: 10.1093/nar/30.4.1065. PMID: 11842119; PMCID: PMC100339.",,,,https://pubmed.ncbi.nlm.nih.gov/15013035/,https://pubmed.ncbi.nlm.nih.gov/16603349/,https://pubmed.ncbi.nlm.nih.gov/11842119/,,,,Not Found,No,No,,,,
DBoRL1917,Oxazolidinone 4,"methyl 2-[4-(cyclohexylmethyl)-2-oxo-5-{[(2-phenylacetyl)oxy]methyl}-1,3-oxazolidin-3-yl]benzoate",COC(=O)c1ccccc1N1C(=O)OC(COC(=O)Cc2ccccc2)C1CC1CCCCC1,"InChI=1/C27H31NO6/c1-32-26(30)21-14-8-9-15-22(21)28-23(16-19-10-4-2-5-11-19)24(34-27(28)31)18-33-25(29)17-20-12-6-3-7-13-20/h3,6-9,12-15,19,23-24H,2,4-5,10-11,16-18H2,1H3",OOMCYZUEKCSBCK-UHFFFAOYNA-N,C27H31NO6,Not Found,465.546,5.71206097,0,4,10,4,"T-box RNA, T-Box C11U","Usually in gram-positive bacteria, oxazolidinone 4 binds with T box leader sequence in RNA and interferes with regulation of gene expression. ",15013035,16603349,11842119,,,,"1) Bozdogan B, Appelbaum PC. Oxazolidinones: activity, mode of action, and mechanism of resistance. Int J Antimicrob Agents. 2004 Feb;23(2):113-9. doi: 10.1016/j.ijantimicag.2003.11.003. PMID: 15013035.","2) Means J, Katz S, Nayek A, Anupam R, Hines JV, Bergmeier SC. Structure-activity studies of oxazolidinone analogs as RNA-binding agents. Bioorg Med Chem Lett. 2006 Jul 1;16(13):3600-4. doi: 10.1016/j.bmcl.2006.03.068. Epub 2006 Apr 5. PMID: 16603349.","3) Gerdeman MS, Henkin TM, Hines JV. In vitro structure-function studies of the Bacillus subtilis tyrS mRNA antiterminator: evidence for factor-independent tRNA acceptor stem binding specificity. Nucleic Acids Res. 2002 Feb 15;30(4):1065-72. doi: 10.1093/nar/30.4.1065. PMID: 11842119; PMCID: PMC100339.",,,,https://pubmed.ncbi.nlm.nih.gov/15013035/,https://pubmed.ncbi.nlm.nih.gov/16603349/,https://pubmed.ncbi.nlm.nih.gov/11842119/,,,,Not Found,No,No,,,,
DBoRL1918,Oxazolidinone 5,"methyl 2-[4-(cyclohexylmethyl)-5-[(octanoyloxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]benzoate",CCCCCCCC(=O)OCC1OC(=O)N(c2ccccc2C(=O)OC)C1CC1CCCCC1,"InChI=1/C27H39NO6/c1-3-4-5-6-10-17-25(29)33-19-24-23(18-20-13-8-7-9-14-20)28(27(31)34-24)22-16-12-11-15-21(22)26(30)32-2/h11-12,15-16,20,23-24H,3-10,13-14,17-19H2,1-2H3",OSQHMXUMVAWQCK-UHFFFAOYNA-N,C27H39NO6,Not Found,473.61,6.801100322,0,4,14,3,"T-box RNA, T-Box C11U","Usually in gram-positive bacteria, oxazolidinone 5 binds with T box leader sequence in RNA and interferes with regulation of gene expression. ",15013035,16603349,11842119,,,,"1) Bozdogan B, Appelbaum PC. Oxazolidinones: activity, mode of action, and mechanism of resistance. Int J Antimicrob Agents. 2004 Feb;23(2):113-9. doi: 10.1016/j.ijantimicag.2003.11.003. PMID: 15013035.","2) Means J, Katz S, Nayek A, Anupam R, Hines JV, Bergmeier SC. Structure-activity studies of oxazolidinone analogs as RNA-binding agents. Bioorg Med Chem Lett. 2006 Jul 1;16(13):3600-4. doi: 10.1016/j.bmcl.2006.03.068. Epub 2006 Apr 5. PMID: 16603349.","3) Gerdeman MS, Henkin TM, Hines JV. In vitro structure-function studies of the Bacillus subtilis tyrS mRNA antiterminator: evidence for factor-independent tRNA acceptor stem binding specificity. Nucleic Acids Res. 2002 Feb 15;30(4):1065-72. doi: 10.1093/nar/30.4.1065. PMID: 11842119; PMCID: PMC100339.",,,,https://pubmed.ncbi.nlm.nih.gov/15013035/,https://pubmed.ncbi.nlm.nih.gov/16603349/,https://pubmed.ncbi.nlm.nih.gov/11842119/,,,,Not Found,No,No,,,,
DBoRL1919,Linezolid Derivative 1,"N-[(3-{3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide",CC(=O)NCC1CN(c2ccc(N3CCN(C(=O)CO)CC3)c(F)c2)C(=O)O1,"InChI=1/C18H23FN4O5/c1-12(25)20-9-14-10-23(18(27)28-14)13-2-3-16(15(19)8-13)21-4-6-22(7-5-21)17(26)11-24/h2-3,8,14,24H,4-7,9-11H2,1H3,(H,20,25)",SIMWTRCFFSTNMG-UHFFFAOYNA-N,C18H23FN4O5,Not Found,394.403,-0.888070025,2,6,5,3,23S rRNA,Linezolid derivative 1 inhibits formation of the initiation complex in bacterial translation systems by preventing formation of the N-formyl-methionyl-tRNA-ribosome-mRNA ternary complex.,15013035,9333036,11850240,9333037,8576910,12645571,"1) Bozdogan B, Appelbaum PC. Oxazolidinones: activity, mode of action, and mechanism of resistance. Int J Antimicrob Agents. 2004 Feb;23(2):113-9. doi: 10.1016/j.ijantimicag.2003.11.003. PMID: 15013035.","2) Lin AH, Murray RW, Vidmar TJ, Marotti KR. The oxazolidinone eperezolid binds to the 50S ribosomal subunit and competes with binding of chloramphenicol and lincomycin. Antimicrob Agents Chemother. 1997 Oct;41(10):2127-31. doi: 10.1128/AAC.41.10.2127. PMID: 9333036; PMCID: PMC164081.","3) Zhou CC, Swaney SM, Shinabarger DL, Stockman BJ. 1H nuclear magnetic resonance study of oxazolidinone binding to bacterial ribosomes. Antimicrob Agents Chemother. 2002 Mar;46(3):625-9. doi: 10.1128/aac.46.3.625-629.2002. PMID: 11850240; PMCID: PMC127483.","4) Shinabarger DL, Marotti KR, Murray RW, Lin AH, Melchior EP, Swaney SM, Dunyak DS, Demyan WF, Buysse JM. Mechanism of action of oxazolidinones: effects of linezolid and eperezolid on translation reactions. Antimicrob Agents Chemother. 1997 Oct;41(10):2132-6. doi: 10.1128/AAC.41.10.2132. PMID: 9333037; PMCID: PMC164082.","5) Barbachyn MR, Hutchinson DK, Brickner SJ, Cynamon MH, Kilburn JO, Klemens SP, Glickman SE, Grega KC, Hendges SK, Toops DS, Ford CW, Zurenko GE. Identification of a novel oxazolidinone (U-100480) with potent antimycobacterial activity. J Med Chem. 1996 Feb 2;39(3):680-5. doi: 10.1021/jm950956y. PMID: 8576910.","6) Bobkova EV, Yan YP, Jordan DB, Kurilla MG, Pompliano DL. Catalytic properties of mutant 23 S ribosomes resistant to oxazolidinones. J Biol Chem. 2003 Mar 14;278(11):9802-7. doi: 10.1074/jbc.m209249200. PMID: 12645571.",https://pubmed.ncbi.nlm.nih.gov/15013035/,https://pubmed.ncbi.nlm.nih.gov/9333036/,https://pubmed.ncbi.nlm.nih.gov/11850240/,https://pubmed.ncbi.nlm.nih.gov/9333037/,https://pubmed.ncbi.nlm.nih.gov/8576910/,https://pubmed.ncbi.nlm.nih.gov/12645571/,23278464,No,No,,,,
DBoRL1920,Linezolid Derivative 4,"N-({3-[3-fluoro-4-(1-oxo-1??-thiomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)ethanethioamide",CC(=S)NCC1CN(c2ccc(N3CCS(=O)CC3)c(F)c2)C(=O)O1,"InChI=1/C16H20FN3O3S2/c1-11(24)18-9-13-10-20(16(21)23-13)12-2-3-15(14(17)8-12)19-4-6-25(22)7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,24)",XOLXODOYQGMVSK-UHFFFAOYNA-N,C16H20FN3O3S2,Not Found,385.47,0.29849659,1,4,4,3,23S rRNA,Linezolid derivative 4 inhibits formation of the initiation complex in bacterial translation systems by preventing formation of the N-formyl-methionyl-tRNA-ribosome-mRNA ternary complex.,15013035,9333036,11850240,9333037,8576910,12645571,"1) Bozdogan B, Appelbaum PC. Oxazolidinones: activity, mode of action, and mechanism of resistance. Int J Antimicrob Agents. 2004 Feb;23(2):113-9. doi: 10.1016/j.ijantimicag.2003.11.003. PMID: 15013035.","2) Lin AH, Murray RW, Vidmar TJ, Marotti KR. The oxazolidinone eperezolid binds to the 50S ribosomal subunit and competes with binding of chloramphenicol and lincomycin. Antimicrob Agents Chemother. 1997 Oct;41(10):2127-31. doi: 10.1128/AAC.41.10.2127. PMID: 9333036; PMCID: PMC164081.","3) Zhou CC, Swaney SM, Shinabarger DL, Stockman BJ. 1H nuclear magnetic resonance study of oxazolidinone binding to bacterial ribosomes. Antimicrob Agents Chemother. 2002 Mar;46(3):625-9. doi: 10.1128/aac.46.3.625-629.2002. PMID: 11850240; PMCID: PMC127483.","4) Shinabarger DL, Marotti KR, Murray RW, Lin AH, Melchior EP, Swaney SM, Dunyak DS, Demyan WF, Buysse JM. Mechanism of action of oxazolidinones: effects of linezolid and eperezolid on translation reactions. Antimicrob Agents Chemother. 1997 Oct;41(10):2132-6. doi: 10.1128/AAC.41.10.2132. PMID: 9333037; PMCID: PMC164082.","5) Barbachyn MR, Hutchinson DK, Brickner SJ, Cynamon MH, Kilburn JO, Klemens SP, Glickman SE, Grega KC, Hendges SK, Toops DS, Ford CW, Zurenko GE. Identification of a novel oxazolidinone (U-100480) with potent antimycobacterial activity. J Med Chem. 1996 Feb 2;39(3):680-5. doi: 10.1021/jm950956y. PMID: 8576910.","6) Bobkova EV, Yan YP, Jordan DB, Kurilla MG, Pompliano DL. Catalytic properties of mutant 23 S ribosomes resistant to oxazolidinones. J Biol Chem. 2003 Mar 14;278(11):9802-7. doi: 10.1074/jbc.m209249200. PMID: 12645571.",https://pubmed.ncbi.nlm.nih.gov/15013035/,https://pubmed.ncbi.nlm.nih.gov/9333036/,https://pubmed.ncbi.nlm.nih.gov/11850240/,https://pubmed.ncbi.nlm.nih.gov/9333037/,https://pubmed.ncbi.nlm.nih.gov/8576910/,https://pubmed.ncbi.nlm.nih.gov/12645571/,22943691,No,No,,,,
DBoRL1921,Ligand1 (16S A-site RNA),"N-{10-oxo-9-[2-(pyrrolidin-1-yl)ethyl]-2-oxa-9-azatricyclo[9.4.0.0?,?]pentadeca-1(15),3,5,7,11,13-hexaen-13-yl}ethanimidamide",CC(=N)Nc1ccc2c(c1)C(=O)N(CCN1CCCC1)c1ccccc1O2,"InChI=1S/C21H24N4O2/c1-15(22)23-16-8-9-19-17(14-16)21(26)25(13-12-24-10-4-5-11-24)18-6-2-3-7-20(18)27-19/h2-3,6-9,14H,4-5,10-13H2,1H3,(H2,22,23)",HLXLQPYDOPNMRE-UHFFFAOYSA-N,C21H24N4O2,Not Found,364.449,2.131051927,2,4,4,4,16s rRNA A SITE,"Ligand 1, a non-carbohydrate molecule that targets and binds to the bacterial 16S ribosomal A-site RNA and interfere with the translation process.",15546714,14980606,,,,,"1) Maddaford SP, Motamed M, Turner KB, Choi MS, Ramnauth J, Rakhit S, Hudgins RR, Fabris D, Johnson PE. Identification of a novel non-carbohydrate molecule that binds to the ribosomal A-site RNA. Bioorg Med Chem Lett. 2004 Dec 20;14(24):5987-90. doi: 10.1016/j.bmcl.2004.09.088. PMID: 15546714","2) Foloppe N, Chen IJ, Davis B, Hold A, Morley D, Howes R. A structure-based strategy to identify new molecular scaffolds targeting the bacterial ribosomal A-site. Bioorg Med Chem. 2004 Mar 1;12(5):935-47. doi: 10.1016/j.bmc.2003.12.023. PMID: 14980606.",,,,,https://pubmed.ncbi.nlm.nih.gov/15546714/,https://pubmed.ncbi.nlm.nih.gov/14980606/,,,,,Not Found,No,No,,,,
DBoRL1922,Ligand2 (16S A-site RNA),"4-hydroxy-2-oxo-N-[3-(piperidin-1-yl)propyl]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide",O=C(NCCCN1CCCCC1)c1c(O)c2c([nH]c1=O)CCCC2,"InChI=1S/C18H27N3O3/c22-16-13-7-2-3-8-14(13)20-18(24)15(16)17(23)19-9-6-12-21-10-4-1-5-11-21/h1-12H2,(H,19,23)(H2,20,22,24)",GUGGQFVDVSKUBP-UHFFFAOYSA-N,C18H27N3O3,333325-73-8,333.432,-1.333658986,3,4,5,3,16s rRNA A SITE,"Ligand 2, a non-carbohydrate molecule that targets and binds to the bacterial 16S ribosomal A-site RNA and interfere with the translation process.",15546714,14980606,,,,,"1) Maddaford SP, Motamed M, Turner KB, Choi MS, Ramnauth J, Rakhit S, Hudgins RR, Fabris D, Johnson PE. Identification of a novel non-carbohydrate molecule that binds to the ribosomal A-site RNA. Bioorg Med Chem Lett. 2004 Dec 20;14(24):5987-90. doi: 10.1016/j.bmcl.2004.09.088. PMID: 15546715","2) Foloppe N, Chen IJ, Davis B, Hold A, Morley D, Howes R. A structure-based strategy to identify new molecular scaffolds targeting the bacterial ribosomal A-site. Bioorg Med Chem. 2004 Mar 1;12(5):935-47. doi: 10.1016/j.bmc.2003.12.023. PMID: 14980606.",,,,,https://pubmed.ncbi.nlm.nih.gov/15546714/,https://pubmed.ncbi.nlm.nih.gov/14980606/,,,,,54682395,No,No,,,,
DBoRL1923,Ligand3 (16S A-site RNA),"[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl][3-(piperidin-1-yl)propyl]amine",c1ccc2c(c1)CCOC2CNCCCN1CCCCC1,"InChI=1/C18H28N2O/c1-4-11-20(12-5-1)13-6-10-19-15-18-17-8-3-2-7-16(17)9-14-21-18/h2-3,7-8,18-19H,1,4-6,9-15H2",JMUZORWKBQAOBK-UHFFFAOYNA-N,C18H28N2O,Not Found,288.435,2.513245107,1,3,6,3,16s rRNA A SITE,"Ligand 3, a non-carbohydrate molecule that targets and binds to the bacterial 16S ribosomal A-site RNA and interfere with the translation process.",15546714,14980606,,,,,"1) Maddaford SP, Motamed M, Turner KB, Choi MS, Ramnauth J, Rakhit S, Hudgins RR, Fabris D, Johnson PE. Identification of a novel non-carbohydrate molecule that binds to the ribosomal A-site RNA. Bioorg Med Chem Lett. 2004 Dec 20;14(24):5987-90. doi: 10.1016/j.bmcl.2004.09.088. PMID: 15546716","2) Foloppe N, Chen IJ, Davis B, Hold A, Morley D, Howes R. A structure-based strategy to identify new molecular scaffolds targeting the bacterial ribosomal A-site. Bioorg Med Chem. 2004 Mar 1;12(5):935-47. doi: 10.1016/j.bmc.2003.12.023. PMID: 14980606.",,,,,https://pubmed.ncbi.nlm.nih.gov/15546714/,https://pubmed.ncbi.nlm.nih.gov/14980606/,,,,,659151,No,No,,,,
DBoRL1924,Ligand6 (16S A-site RNA),"4-hydroxy-2-oxo-N-[3-(piperidin-1-yl)propyl]-1,2-dihydroquinoline-3-carboxamide",O=C(NCCCN1CCCCC1)c1c(O)c2ccccc2[nH]c1=O,"InChI=1S/C18H23N3O3/c22-16-13-7-2-3-8-14(13)20-18(24)15(16)17(23)19-9-6-12-21-10-4-1-5-11-21/h2-3,7-8H,1,4-6,9-12H2,(H,19,23)(H2,20,22,24)",RVVJOFZCWFYTFL-UHFFFAOYSA-N,C18H23N3O3,Not Found,329.4,-1.262165104,3,4,5,3,16s rRNA A SITE,"Ligand 6, a non-carbohydrate molecule that targets and binds to the bacterial 16S ribosomal A-site RNA and interfere with the translation process.",15546714,14980606,,,,,"1) Maddaford SP, Motamed M, Turner KB, Choi MS, Ramnauth J, Rakhit S, Hudgins RR, Fabris D, Johnson PE. Identification of a novel non-carbohydrate molecule that binds to the ribosomal A-site RNA. Bioorg Med Chem Lett. 2004 Dec 20;14(24):5987-90. doi: 10.1016/j.bmcl.2004.09.088. PMID: 15546717","2) Foloppe N, Chen IJ, Davis B, Hold A, Morley D, Howes R. A structure-based strategy to identify new molecular scaffolds targeting the bacterial ribosomal A-site. Bioorg Med Chem. 2004 Mar 1;12(5):935-47. doi: 10.1016/j.bmc.2003.12.023. PMID: 14980606.",,,,,https://pubmed.ncbi.nlm.nih.gov/15546714/,https://pubmed.ncbi.nlm.nih.gov/14980606/,,,,,54685835,No,No,,,,
DBoRL1925,"2,4-diaminopurine","4H-purine-2,4-diamine",NC1=NC2(N)N=CN=C2C=N1,"InChI=1/C5H6N6/c6-4-8-1-3-5(7,11-4)10-2-9-3/h1-2H,7H2,(H2,6,11)",PSHHQIGKVLIVBD-UHFFFAOYNA-N,C5H6N6,Not Found,150.145,-0.754096616,2,6,0,2,Adenine and Guanine riboswitch,"2,4-diaminopurine, a riboswitch ligand analogue, act as selective inhibitors of guanine-related metabolic pathways.",15610857,19007790,15549109,16650860,20421948,,"1) Serganov A, Yuan YR, Pikovskaya O, Polonskaia A, Malinina L, Phan AT, Hobartner C, Micura R, Breaker RR, Patel DJ. Structural basis for discriminative regulation of gene expression by adenine- and guanine-sensing mRNAs. Chem Biol. 2004 Dec;11(12):1729-41. doi: 10.1016/j.chembiol.2004.11.018. PMID: 15610857; PMCID: PMC4692365.","2) Edwards AL, Batey RT. A structural basis for the recognition of 2'-deoxyguanosine by the purine riboswitch. J Mol Biol. 2009 Jan 23;385(3):938-48. doi: 10.1016/j.jmb.2008.10.074. Epub 2008 Nov 5. PMID: 19007790; PMCID: PMC2997738.","3) Batey RT, Gilbert SD, Montange RK. Structure of a natural guanine-responsive riboswitch complexed with the metabolite hypoxanthine. Nature. 2004 Nov 18;432(7015):411-5. doi: 10.1038/nature03037. PMID: 15549109.","4) Gilbert SD, Stoddard CD, Wise SJ, Batey RT. Thermodynamic and kinetic characterization of ligand binding to the purine riboswitch aptamer domain. J Mol Biol. 2006 Jun 9;359(3):754-68. doi: 10.1016/j.jmb.2006.04.003. Epub 2006 Apr 21. Erratum in: J Mol Biol. 2006 Oct 20;363(2):624. PMID: 16650860.","5) Mulhbacher J, Brouillette E, Allard M, Fortier LC, Malouin F, Lafontaine DA. Novel riboswitch ligand analogs as selective inhibitors of guanine-related metabolic pathways. PLoS Pathog. 2010 Apr 22;6(4):e1000865. doi: 10.1371/journal.ppat.1000865. PMID: 20421948; PMCID: PMC2858708.",,https://pubmed.ncbi.nlm.nih.gov/15610857/,https://pubmed.ncbi.nlm.nih.gov/19007790/,https://pubmed.ncbi.nlm.nih.gov/15549109/,https://pubmed.ncbi.nlm.nih.gov/16650860/,https://pubmed.ncbi.nlm.nih.gov/20421948/,,18410141,No,No,,,,
DBoRL1926,"2,5,6-TRIAMINO-PYRIMIDINE-4-ONE","2,5,6-triamino-3,4-dihydropyrimidin-4-one",Nc1nc(N)c(N)c(=O)[nH]1,"InChI=1S/C4H7N5O/c5-1-2(6)8-4(7)9-3(1)10/h5H2,(H5,6,7,8,9,10)",SYEYEGBZVSWYPK-UHFFFAOYSA-N,C4H7N5O,"1004-75-7,45741-64-8",141.134,-2.170667423,4,5,0,1,Guanine riboswitch,"2,5,6-triamino-pyrimidine-4-one, a riboswitch ligand analogue, act as selective inhibitors of guanine-related metabolic pathways.",15610857,19007790,15549109,16650860,20421948,,"1) Serganov A, Yuan YR, Pikovskaya O, Polonskaia A, Malinina L, Phan AT, Hobartner C, Micura R, Breaker RR, Patel DJ. Structural basis for discriminative regulation of gene expression by adenine- and guanine-sensing mRNAs. Chem Biol. 2004 Dec;11(12):1729-41. doi: 10.1016/j.chembiol.2004.11.018. PMID: 15610857; PMCID: PMC4692365.","2) Edwards AL, Batey RT. A structural basis for the recognition of 2'-deoxyguanosine by the purine riboswitch. J Mol Biol. 2009 Jan 23;385(3):938-48. doi: 10.1016/j.jmb.2008.10.074. Epub 2008 Nov 5. PMID: 19007790; PMCID: PMC2997738.","3) Batey RT, Gilbert SD, Montange RK. Structure of a natural guanine-responsive riboswitch complexed with the metabolite hypoxanthine. Nature. 2004 Nov 18;432(7015):411-5. doi: 10.1038/nature03037. PMID: 15549109.","4) Gilbert SD, Stoddard CD, Wise SJ, Batey RT. Thermodynamic and kinetic characterization of ligand binding to the purine riboswitch aptamer domain. J Mol Biol. 2006 Jun 9;359(3):754-68. doi: 10.1016/j.jmb.2006.04.003. Epub 2006 Apr 21. Erratum in: J Mol Biol. 2006 Oct 20;363(2):624. PMID: 16650860.","5) Mulhbacher J, Brouillette E, Allard M, Fortier LC, Malouin F, Lafontaine DA. Novel riboswitch ligand analogs as selective inhibitors of guanine-related metabolic pathways. PLoS Pathog. 2010 Apr 22;6(4):e1000865. doi: 10.1371/journal.ppat.1000865. PMID: 20421948; PMCID: PMC2858708.",,https://pubmed.ncbi.nlm.nih.gov/15610857/,https://pubmed.ncbi.nlm.nih.gov/19007790/,https://pubmed.ncbi.nlm.nih.gov/15549109/,https://pubmed.ncbi.nlm.nih.gov/16650860/,https://pubmed.ncbi.nlm.nih.gov/20421948/,,135406869,No,No,,,,
DBoRL1927,2-Amino-N6-hydroxyadenine,"N6-hydroxy-7H-purine-2,6-diamine",Nc1nc(NO)c2[nH]cnc2n1,"InChI=1S/C5H6N6O/c6-5-9-3-2(7-1-8-3)4(10-5)11-12/h1,12H,(H4,6,7,8,9,10,11)",UJUHACUYECLPGK-UHFFFAOYSA-N,C5H6N6O,7269-57-0,166.144,-0.3864143,4,6,1,2,Guanine riboswitch,"2-Amino-N6-hydroxyadenine, a riboswitch ligand analogue, act as selective inhibitors of guanine-related metabolic pathways.",15610857,19007790,15549109,16650860,20421948,,"1) Serganov A, Yuan YR, Pikovskaya O, Polonskaia A, Malinina L, Phan AT, Hobartner C, Micura R, Breaker RR, Patel DJ. Structural basis for discriminative regulation of gene expression by adenine- and guanine-sensing mRNAs. Chem Biol. 2004 Dec;11(12):1729-41. doi: 10.1016/j.chembiol.2004.11.018. PMID: 15610857; PMCID: PMC4692365.","2) Edwards AL, Batey RT. A structural basis for the recognition of 2'-deoxyguanosine by the purine riboswitch. J Mol Biol. 2009 Jan 23;385(3):938-48. doi: 10.1016/j.jmb.2008.10.074. Epub 2008 Nov 5. PMID: 19007790; PMCID: PMC2997738.","3) Batey RT, Gilbert SD, Montange RK. Structure of a natural guanine-responsive riboswitch complexed with the metabolite hypoxanthine. Nature. 2004 Nov 18;432(7015):411-5. doi: 10.1038/nature03037. PMID: 15549109.","4) Gilbert SD, Stoddard CD, Wise SJ, Batey RT. Thermodynamic and kinetic characterization of ligand binding to the purine riboswitch aptamer domain. J Mol Biol. 2006 Jun 9;359(3):754-68. doi: 10.1016/j.jmb.2006.04.003. Epub 2006 Apr 21. Erratum in: J Mol Biol. 2006 Oct 20;363(2):624. PMID: 16650860.","5) Mulhbacher J, Brouillette E, Allard M, Fortier LC, Malouin F, Lafontaine DA. Novel riboswitch ligand analogs as selective inhibitors of guanine-related metabolic pathways. PLoS Pathog. 2010 Apr 22;6(4):e1000865. doi: 10.1371/journal.ppat.1000865. PMID: 20421948; PMCID: PMC2858708.",,https://pubmed.ncbi.nlm.nih.gov/15610857/,https://pubmed.ncbi.nlm.nih.gov/19007790/,https://pubmed.ncbi.nlm.nih.gov/15549109/,https://pubmed.ncbi.nlm.nih.gov/16650860/,https://pubmed.ncbi.nlm.nih.gov/20421948/,,101513,No,No,,,,
DBoRL1928,Argininamide,2-amino-5-[(diaminomethylidene)amino]pentanamide,NC(=O)C(N)CCCN=C(N)N,"InChI=1/C6H15N5O/c7-4(5(8)12)2-1-3-11-6(9)10/h4H,1-3,7H2,(H2,8,12)(H4,9,10,11)",ULEBESPCVWBNIF-UHFFFAOYNA-N,C6H15N5O,Not Found,173.22,-2.349827366,4,5,5,0,HIV-2 TRANS ACTIVATING REGION RNA,Argininamide competitively binds to the TAR RNA bulge and induce chemical shift.,1621097,12364603,,,,,"1) Puglisi JD, Tan R, Calnan BJ, Frankel AD, Williamson JR. Conformation of the TAR RNA-arginine complex by NMR spectroscopy. Science. 1992 Jul 3;257(5066):76-80. doi: 10.1126/science.1621097. PMID: 1621097.","2) Olejniczak M, Gdaniec Z, Fischer A, Grabarkiewicz T, Bielecki L, Adamiak RW. The bulge region of HIV-1 TAR RNA binds metal ions in solution. Nucleic Acids Res. 2002 Oct 1;30(19):4241-9. doi: 10.1093/nar/gkf541. PMID: 12364603; PMCID: PMC140541.",,,,,https://pubmed.ncbi.nlm.nih.gov/1621097/,https://pubmed.ncbi.nlm.nih.gov/12364603/,,,,,2234,No,No,,,,
DBoRL1929,Benzamide derivative 1,"4-acetyl-N-[6-amino-1-(3,5-diaminopiperidin-1-yl)-1-oxohexan-2-yl]benzamide",CC(=O)c1ccc(C(=O)NC(CCCCN)C(=O)N2CC(N)CC(N)C2)cc1,"InChI=1/C20H31N5O3/c1-13(26)14-5-7-15(8-6-14)19(27)24-18(4-2-3-9-21)20(28)25-11-16(22)10-17(23)12-25/h5-8,16-18H,2-4,9-12,21-23H2,1H3,(H,24,27)",RTSGZJWSKVMODX-UHFFFAOYNA-N,C20H31N5O3,Not Found,389.5,-1.425532607,4,6,8,2,HCV IRES,"Benzamide derivative 1, a synthetic RNA binders of the Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES). Benzimidazole inhibitor 1 acts on HCV replicon by conformational induction of a widened interhelical angle in the IRES subdomain IIA which facilitates the undocking of subdomain IIb from the ribosome and ultimately leads to inhibition of IRES-driven translation in HCV-infected cells.",16279767,19767736,20564282,,,,"1) Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.","2) Parsons J, Castaldi MP, Dutta S, Dibrov SM, Wyles DL, Hermann T. Conformational inhibition of the hepatitis C virus internal ribosome entry site RNA. Nat Chem Biol. 2009 Nov;5(11):823-5. doi: 10.1038/nchembio.217. Epub 2009 Sep 20. PMID: 19767736; PMCID: PMC2770845.","3) Carnevali M, Parsons J, Wyles DL, Hermann T. A modular approach to synthetic RNA binders of the hepatitis C virus internal ribosome entry site. Chembiochem. 2010 Jul 5;11(10):1364-7. doi: 10.1002/cbic.201000177. PMID: 20564282; PMCID: PMC3517111.",,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,https://pubmed.ncbi.nlm.nih.gov/19767736/,https://pubmed.ncbi.nlm.nih.gov/20564282/,,,,Not Found,No,No,,,,
DBoRL1930,Benzamide derivative 2,"4-acetyl-N-[5-carbamimidamido-1-(3,5-diaminopiperidin-1-yl)-1-oxopentan-2-yl]benzamide",CC(=O)c1ccc(C(=O)NC(CCCNC(=N)N)C(=O)N2CC(N)CC(N)C2)cc1,"InChI=1/C20H31N7O3/c1-12(28)13-4-6-14(7-5-13)18(29)26-17(3-2-8-25-20(23)24)19(30)27-10-15(21)9-16(22)11-27/h4-7,15-17H,2-3,8-11,21-22H2,1H3,(H,26,29)(H4,23,24,25)",OSFFXRNWJFKTHO-UHFFFAOYNA-N,C20H31N7O3,Not Found,417.514,-2.203872023,6,8,8,2,HCV IRES,"Benzamide derivative 2, a synthetic RNA binders of the Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES). Benzimidazole inhibitor 2 acts on HCV replicon by conformational induction of a widened interhelical angle in the IRES subdomain IIA which facilitates the undocking of subdomain IIb from the ribosome and ultimately leads to inhibition of IRES-driven translation in HCV-infected cells.",16279767,19767736,20564282,,,,"1) Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.","2) Parsons J, Castaldi MP, Dutta S, Dibrov SM, Wyles DL, Hermann T. Conformational inhibition of the hepatitis C virus internal ribosome entry site RNA. Nat Chem Biol. 2009 Nov;5(11):823-5. doi: 10.1038/nchembio.217. Epub 2009 Sep 20. PMID: 19767736; PMCID: PMC2770845.","3) Carnevali M, Parsons J, Wyles DL, Hermann T. A modular approach to synthetic RNA binders of the hepatitis C virus internal ribosome entry site. Chembiochem. 2010 Jul 5;11(10):1364-7. doi: 10.1002/cbic.201000177. PMID: 20564282; PMCID: PMC3517111.",,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,https://pubmed.ncbi.nlm.nih.gov/19767736/,https://pubmed.ncbi.nlm.nih.gov/20564282/,,,,Not Found,No,No,,,,
DBoRL1931,Neamine,"(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}oxane-3,4-diol",NC[C@H]1O[C@H](OC2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,"InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11?,12-/m1/s1",SYJXFKPQNSDJLI-QGTAOGGZSA-N,C12H26N4O6,Not Found,322.362,-5.290077803,8,10,3,2,2F4S bacterial ribosomal aminoacyl-tRNA A site: 5'-[r(GCGUCACACCGGUGAAGUCGC)]-3',Neamine is a antibiotic that binds with bacterial ribosomal Aminoacyl-tRNA A Site and interferes the translation process.,16492561,21557427,,,,,"1) Murray JB, Meroueh SO, Russell RJ, Lentzen G, Haddad J, Mobashery S. Interactions of designer antibiotics and the bacterial ribosomal aminoacyl-tRNA site. Chem Biol. 2006 Feb;13(2):129-38. doi: 10.1016/j.chembiol.2005.11.004. PMID: 16492561.","2) Katsoulis IA, Kythreoti G, Papakyriakou A, Koltsida K, Anastasopoulou P, Stathakis CI, Mavridis I, Cottin T, Saridakis E, Vourloumis D. Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site. Chembiochem. 2011 May 16;12(8):1188-92. doi: 10.1002/cbic.201100076. Epub 2011 May 6. PMID: 21557427.",,,,,https://pubmed.ncbi.nlm.nih.gov/16492561/,https://pubmed.ncbi.nlm.nih.gov/21557427/,,,,,Not Found,Yes,No,Experimental,DB04808,https://go.drugbank.com/drugs/DB04808,
DBoRL1932,Pulvomycin,"22-{3,12-dihydroxy-13-[(4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy]-4-methyl-5-oxotetradeca-6,8,10-trien-2-yl}-6,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-dione",COC1C(C)OC(OC(C)C(O)C=CC=CC=CC(=O)C(C)C(O)C(C)C2CC=CC=CC=CC(O)C(=O)C(C)=CC=CC(C)=CC(O)C(C)=CCC(=O)O2)C(OC)C1O,"InChI=1/C47H66O13/c1-29-20-19-21-31(3)42(53)38(50)24-17-11-10-12-18-25-40(60-41(52)27-26-30(2)39(51)28-29)33(5)43(54)32(4)36(48)22-15-13-14-16-23-37(49)34(6)58-47-46(57-9)44(55)45(56-8)35(7)59-47/h10-24,26,28,32-35,37-40,43-47,49-51,54-55H,25,27H2,1-9H3",FXSFWUNCIOIMAC-UHFFFAOYNA-N,C47H66O13,Not Found,839.032,5.267984275,5,12,13,2,EF-Tu (PULVOMYCIN),"The antibiotics pulvomycin bind to different sites on the elongation factor Tu from bacteria. Pulvomycin inhibit the interaction of EF-Tu and GTP with aatRNA, as a result the translation process interfered.",16876786,6122571,,,,,"1) Parmeggiani A, Nissen P. Elongation factor Tu-targeted antibiotics: four different structures, two mechanisms of action. FEBS Lett. 2006 Aug 21;580(19):4576-81. doi: 10.1016/j.febslet.2006.07.039. Epub 2006 Jul 24. PMID: 16876786.","2) Pingoud A, Block W, Urbanke C, Wolf H. The antibiotics kirromycin and pulvomycin bind to different sites on the elongation factor Tu from Escherichia coli. Eur J Biochem. 1982 Apr 1;123(2):261-5. doi: 10.1111/j.1432-1033.1982.tb19762.x. PMID: 6122571.",,,,,https://pubmed.ncbi.nlm.nih.gov/16876786/,https://pubmed.ncbi.nlm.nih.gov/6122571/,,,,,159327,No,No,,,,
DBoRL1933,Neocarzinostatin chromophore derivative 1,"9'-{[4,5-dihydroxy-6-methyl-3-(methylamino)oxan-2-yl]oxy}-5'-hydroxy-7-methoxy-5-methyl-5'-(2-oxo-1,3-dioxolan-4-yl)-3'a,5',9',9'a-tetrahydro-2H,2'H-spiro[naphthalene-1,3'-s-indaceno[2,1-b]furan]-2,2'-dione",CNC1C(OC2c3cc4c(cc3C3C2OC(=O)C32C(=O)C=Cc3c(C)cc(OC)cc32)C(O)(C2COC(=O)O2)C=C4)OC(C)C(O)C1O,"InChI=1/C35H35NO12/c1-14-9-17(43-4)11-22-18(14)5-6-23(37)35(22)25-19-12-21-16(7-8-34(21,42)24-13-44-33(41)46-24)10-20(19)29(30(25)48-32(35)40)47-31-26(36-3)28(39)27(38)15(2)45-31/h5-12,15,24-31,36,38-39,42H,13H2,1-4H3",OBDNPHCYNBAIOJ-UHFFFAOYNA-N,C35H35NO12,Not Found,661.66,2.762705061,4,11,5,8,HIV-2 TAR RNA,"Neocarzinostatin chromophore derivative 1, a synthetic analogue of NCSi-gb binds specifically with two-base bulged RNA, including HIV-2 TAR RNA, making them potential lead compound for antiviral drug development. The compound binds and cleaves 2-base bulges in HIV-1 TAR RNA and interfere in various biological processes.",17057867,11955061,17209566,,,,"1) Xiao Z, Zhang N, Lin Y, Jones GB, Goldberg IH. Spirocyclic helical compounds as binding agents for bulged RNA, including HIV-2 TAR. Chem Commun (Camb). 2006 Nov 13;(42):4431-3. doi: 10.1039/b610007d. Epub 2006 Sep 14. PMID: 17057867.","2) Gao X, Stassinopoulos A, Ji J, Kwon Y, Bare S, Goldberg IH. Induced formation of a DNA bulge structure by a molecular wedge ligand-postactivated neocarzinostatin chromophore. Biochemistry. 2002 Apr 23;41(16):5131-43. doi: 10.1021/bi012112o. PMID: 11955061.","3) Xi, Z.et.al., Chem. Biol.2002, 9, 925; Lin, Y.et.al., Org. Lett. 2005, 7, 71 4) Kappen LS, Lin Y, Jones GB, Goldberg IH. Probing DNA bulges with designed helical spirocyclic molecules. Biochemistry. 2007 Jan 16;46(2):561-7. doi: 10.1021/bi061744d. PMID: 17209566; PMCID: PMC2569198.  ",,,,https://pubmed.ncbi.nlm.nih.gov/17057867/,https://pubmed.ncbi.nlm.nih.gov/11955061/,https://pubmed.ncbi.nlm.nih.gov/17209566/,,,,5192997,No,No,,,,
DBoRL1934,Neocarzinostatin chromophore derivative 2,"13'-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-14'-oxaspiro[naphthalene-1,12'-tetracyclo[8.6.0.0?,?.0??,??]hexadecane]-1',3',5',7',9'-pentaene-2,16'-dione",NC1C(OC2OC3C(=O)c4cc5ccccc5cc4C3C23C(=O)C=Cc2ccccc23)OC(CO)C(O)C1O,"InChI=1/C30H27NO8/c31-23-26(36)25(35)20(13-32)37-28(23)39-29-30(19-8-4-3-5-14(19)9-10-21(30)33)22-17-11-15-6-1-2-7-16(15)12-18(17)24(34)27(22)38-29/h1-12,20,22-23,25-29,32,35-36H,13,31H2",KOWBERPNJQYLOK-UHFFFAOYNA-N,C30H27NO8,Not Found,529.545,2.031873831,4,9,3,7,HIV-2 TAR RNA,"Neocarzinostatin chromophore derivative 2, a synthetic analogue of NCSi-gb binds specifically with two-base bulged RNA, including HIV-2 TAR RNA, making them potential lead compound for antiviral drug development. The compound binds and cleaves 2-base bulges in HIV-1 TAR RNA and interfere in various biological processes.",17057867,11955061,17209566,,,,"1) Xiao Z, Zhang N, Lin Y, Jones GB, Goldberg IH. Spirocyclic helical compounds as binding agents for bulged RNA, including HIV-2 TAR. Chem Commun (Camb). 2006 Nov 13;(42):4431-3. doi: 10.1039/b610007d. Epub 2006 Sep 14. PMID: 17057867.","2) Gao X, Stassinopoulos A, Ji J, Kwon Y, Bare S, Goldberg IH. Induced formation of a DNA bulge structure by a molecular wedge ligand-postactivated neocarzinostatin chromophore. Biochemistry. 2002 Apr 23;41(16):5131-43. doi: 10.1021/bi012112o. PMID: 11955061.","3) Xi, Z.et.al., Chem. Biol.2002, 9, 925; Lin, Y.et.al., Org. Lett. 2005, 7, 71 4) Kappen LS, Lin Y, Jones GB, Goldberg IH. Probing DNA bulges with designed helical spirocyclic molecules. Biochemistry. 2007 Jan 16;46(2):561-7. doi: 10.1021/bi061744d. PMID: 17209566; PMCID: PMC2569198.  ",,,,https://pubmed.ncbi.nlm.nih.gov/17057867/,https://pubmed.ncbi.nlm.nih.gov/11955061/,https://pubmed.ncbi.nlm.nih.gov/17209566/,,,,Not Found,No,No,,,,
DBoRL1935,Neocarzinostatin chromophore derivative 3,"2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-14'-oxaspiro[naphthalene-1,12'-tetracyclo[8.6.0.0?,?.0??,??]hexadecane]-1',3',5',7',9'-pentaene-13',16'-dione",NC1C(OC2C=Cc3ccccc3C23C(=O)OC2C(=O)c4cc5ccccc5cc4C23)OC(CO)C(O)C1O,"InChI=1/C30H27NO8/c31-23-26(35)25(34)20(13-32)37-28(23)38-21-10-9-14-5-3-4-8-19(14)30(21)22-17-11-15-6-1-2-7-16(15)12-18(17)24(33)27(22)39-29(30)36/h1-12,20-23,25-28,32,34-35H,13,31H2",GDOMNCKACJMJIX-UHFFFAOYNA-N,C30H27NO8,Not Found,529.545,1.603963689,4,8,3,7,HIV-2 TAR RNA,"Neocarzinostatin chromophore derivative 3, a synthetic analogue of NCSi-gb binds specifically with two-base bulged RNA, including HIV-2 TAR RNA, making them potential lead compound for antiviral drug development. The compound binds and cleaves 2-base bulges in HIV-1 TAR RNA and interfere in various biological processes.",17057867,11955061,17209566,,,,"1) Xiao Z, Zhang N, Lin Y, Jones GB, Goldberg IH. Spirocyclic helical compounds as binding agents for bulged RNA, including HIV-2 TAR. Chem Commun (Camb). 2006 Nov 13;(42):4431-3. doi: 10.1039/b610007d. Epub 2006 Sep 14. PMID: 17057867.","2) Gao X, Stassinopoulos A, Ji J, Kwon Y, Bare S, Goldberg IH. Induced formation of a DNA bulge structure by a molecular wedge ligand-postactivated neocarzinostatin chromophore. Biochemistry. 2002 Apr 23;41(16):5131-43. doi: 10.1021/bi012112o. PMID: 11955061.","3) Xi, Z.et.al., Chem. Biol.2002, 9, 925; Lin, Y.et.al., Org. Lett. 2005, 7, 71 4) Kappen LS, Lin Y, Jones GB, Goldberg IH. Probing DNA bulges with designed helical spirocyclic molecules. Biochemistry. 2007 Jan 16;46(2):561-7. doi: 10.1021/bi061744d. PMID: 17209566; PMCID: PMC2569198.  ",,,,https://pubmed.ncbi.nlm.nih.gov/17057867/,https://pubmed.ncbi.nlm.nih.gov/11955061/,https://pubmed.ncbi.nlm.nih.gov/17209566/,,,,Not Found,No,No,,,,
DBoRL1936,Neocarzinostatin chromophore derivative 4,"16'-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-methoxy-2H-spiro[naphthalene-1,12'-tetracyclo[8.6.0.0?,?.0??,??]hexadecane]-1',3',5',7',9',13'-hexaen-2-one",COc1ccc2c(c1)C1(C=CC3C(OC4OC(CO)C(O)C(O)C4N)c4cc5ccccc5cc4C31)C(=O)C=C2,"InChI=1/C32H31NO7/c1-38-19-8-6-16-7-9-25(35)32(23(16)14-19)11-10-20-26(32)21-12-17-4-2-3-5-18(17)13-22(21)30(20)40-31-27(33)29(37)28(36)24(15-34)39-31/h2-14,20,24,26-31,34,36-37H,15,33H2,1H3",VBHGMVAXOPOVFW-UHFFFAOYNA-N,C32H31NO7,Not Found,541.6,2.603495836,4,8,4,7,HIV-2 TAR RNA,"Neocarzinostatin chromophore derivative 4, a synthetic analogue of NCSi-gb binds specifically with two-base bulged RNA, including HIV-2 TAR RNA, making them potential lead compound for antiviral drug development. The compound binds and cleaves 2-base bulges in HIV-1 TAR RNA and interfere in various biological processes.",17057867,11955061,17209566,,,,"1) Xiao Z, Zhang N, Lin Y, Jones GB, Goldberg IH. Spirocyclic helical compounds as binding agents for bulged RNA, including HIV-2 TAR. Chem Commun (Camb). 2006 Nov 13;(42):4431-3. doi: 10.1039/b610007d. Epub 2006 Sep 14. PMID: 17057867.","2) Gao X, Stassinopoulos A, Ji J, Kwon Y, Bare S, Goldberg IH. Induced formation of a DNA bulge structure by a molecular wedge ligand-postactivated neocarzinostatin chromophore. Biochemistry. 2002 Apr 23;41(16):5131-43. doi: 10.1021/bi012112o. PMID: 11955061.","3) Xi, Z.et.al., Chem. Biol.2002, 9, 925; Lin, Y.et.al., Org. Lett. 2005, 7, 71 4) Kappen LS, Lin Y, Jones GB, Goldberg IH. Probing DNA bulges with designed helical spirocyclic molecules. Biochemistry. 2007 Jan 16;46(2):561-7. doi: 10.1021/bi061744d. PMID: 17209566; PMCID: PMC2569198.  ",,,,https://pubmed.ncbi.nlm.nih.gov/17057867/,https://pubmed.ncbi.nlm.nih.gov/11955061/,https://pubmed.ncbi.nlm.nih.gov/17209566/,,,,Not Found,No,No,,,,
DBoRL1937,Neocarzinostatin chromophore derivative 5,"16'-{[4,5-dihydroxy-6-methyl-3-(methylamino)oxan-2-yl]oxy}-7-methoxy-2H-spiro[naphthalene-1,12'-tetracyclo[8.6.0.0?,?.0??,??]hexadecane]-1',3',5',7',9',13'-hexaen-2-one",CNC1C(OC2c3cc4ccccc4cc3C3C2C=CC32C(=O)C=Cc3ccc(OC)cc32)OC(C)C(O)C1O,"InChI=1/C33H33NO6/c1-17-29(36)30(37)28(34-2)32(39-17)40-31-22-12-13-33(25-16-21(38-3)10-8-18(25)9-11-26(33)35)27(22)23-14-19-6-4-5-7-20(19)15-24(23)31/h4-17,22,27-32,34,36-37H,1-3H3",JDIJVHOCLRRXFM-UHFFFAOYNA-N,C33H33NO6,Not Found,539.628,4.082986196,3,7,4,7,HIV-2 TAR RNA,"Neocarzinostatin chromophore derivative 5, a synthetic analogue of NCSi-gb binds specifically with two-base bulged RNA, including HIV-2 TAR RNA, making them potential lead compound for antiviral drug development. The compound binds and cleaves 2-base bulges in HIV-1 TAR RNA and interfere in various biological processes.",17057867,11955061,17209566,,,,"1) Xiao Z, Zhang N, Lin Y, Jones GB, Goldberg IH. Spirocyclic helical compounds as binding agents for bulged RNA, including HIV-2 TAR. Chem Commun (Camb). 2006 Nov 13;(42):4431-3. doi: 10.1039/b610007d. Epub 2006 Sep 14. PMID: 17057867.","2) Gao X, Stassinopoulos A, Ji J, Kwon Y, Bare S, Goldberg IH. Induced formation of a DNA bulge structure by a molecular wedge ligand-postactivated neocarzinostatin chromophore. Biochemistry. 2002 Apr 23;41(16):5131-43. doi: 10.1021/bi012112o. PMID: 11955061.","3) Xi, Z.et.al., Chem. Biol.2002, 9, 925; Lin, Y.et.al., Org. Lett. 2005, 7, 71 4) Kappen LS, Lin Y, Jones GB, Goldberg IH. Probing DNA bulges with designed helical spirocyclic molecules. Biochemistry. 2007 Jan 16;46(2):561-7. doi: 10.1021/bi061744d. PMID: 17209566; PMCID: PMC2569198.  ",,,,https://pubmed.ncbi.nlm.nih.gov/17057867/,https://pubmed.ncbi.nlm.nih.gov/11955061/,https://pubmed.ncbi.nlm.nih.gov/17209566/,,,,Not Found,No,No,,,,
DBoRL1938,Gentamicin B,"2-(aminomethyl)-6-[(4,6-diamino-3-{[3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,4,5-triol",CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3O)C2O)OCC1(C)O,"InChI=1/C19H38N4O10/c1-19(29)5-30-17(13(28)16(19)23-2)32-14-6(21)3-7(22)15(12(14)27)33-18-11(26)10(25)9(24)8(4-20)31-18/h6-18,23-29H,3-5,20-22H2,1-2H3",RHRAMPXHWHSKQB-UHFFFAOYNA-N,C19H38N4O10,Not Found,482.531,-5.717421445,10,14,6,3,T4 phage derived td intron,Gentamicin B binds to T4 phage derived td intron & inhibit the splicing process in vitro.,1710351,9737922,,,,,"1) von Ahsen U, Schroeder R. Streptomycin inhibits splicing of group I introns by competition with the guanosine substrate. Nucleic Acids Res. 1991 May 11;19(9):2261-5. doi: 10.1093/nar/19.9.2261. PMID: 1710351; PMCID: PMC329428.","2) Hoch I, Berens C, Westhof E, Schroeder R. Antibiotic inhibition of RNA catalysis: neomycin B binds to the catalytic core of the td group I intron displacing essential metal ions. J Mol Biol. 1998 Sep 25;282(3):557-69. doi: 10.1006/jmbi.1998.2035. PMID: 9737922.",,,,,https://pubmed.ncbi.nlm.nih.gov/1710351/,https://pubmed.ncbi.nlm.nih.gov/9737922/,,,,,37569,No,No,,,,
DBoRL1939,Gentamicin C1,"2-{[4,6-diamino-3-({3-amino-6-[1-(methylamino)ethyl]oxan-2-yl}oxy)-2-hydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diol",CNC(C)C1CCC(N)C(OC2C(N)CC(N)C(OC3OCC(C)(O)C(NC)C3O)C2O)O1,"InChI=1/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3",CEAZRRDELHUEMR-UHFFFAOYNA-N,C21H43N5O7,Not Found,477.603,-3.137155529,8,12,7,3,T4 phage derived td intron,Gentamicin C1 binds to T4 phage derived td intron & inhibit the splicing process in vitro.,1710351,9737922,,,,,"1) von Ahsen U, Schroeder R. Streptomycin inhibits splicing of group I introns by competition with the guanosine substrate. Nucleic Acids Res. 1991 May 11;19(9):2261-5. doi: 10.1093/nar/19.9.2261. PMID: 1710351; PMCID: PMC329428.","2) Hoch I, Berens C, Westhof E, Schroeder R. Antibiotic inhibition of RNA catalysis: neomycin B binds to the catalytic core of the td group I intron displacing essential metal ions. J Mol Biol. 1998 Sep 25;282(3):557-69. doi: 10.1006/jmbi.1998.2035. PMID: 9737922.",,,,,https://pubmed.ncbi.nlm.nih.gov/1710351/,https://pubmed.ncbi.nlm.nih.gov/9737922/,,,,,3467,Yes,Yes,Vet_approved,DB00798,https://go.drugbank.com/drugs/DB00798,
DBoRL1940,Gentamicin C2,"2-[(4,6-diamino-3-{[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diol",CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(C(C)N)CCC3N)C2O)OCC1(C)O,"InChI=1/C20H41N5O7/c1-8(21)12-5-4-9(22)18(30-12)31-15-10(23)6-11(24)16(13(15)26)32-19-14(27)17(25-3)20(2,28)7-29-19/h8-19,25-28H,4-7,21-24H2,1-3H3",XUFIWSHGXVLULG-UHFFFAOYNA-N,C20H41N5O7,Not Found,463.576,-3.569735923,8,12,6,3,T4 phage derived td intron,Gentamicin C2 binds to T4 phage derived td intron & inhibit the splicing process in vitro.,1710351,9737922,,,,,"1) von Ahsen U, Schroeder R. Streptomycin inhibits splicing of group I introns by competition with the guanosine substrate. Nucleic Acids Res. 1991 May 11;19(9):2261-5. doi: 10.1093/nar/19.9.2261. PMID: 1710351; PMCID: PMC329428.","2) Hoch I, Berens C, Westhof E, Schroeder R. Antibiotic inhibition of RNA catalysis: neomycin B binds to the catalytic core of the td group I intron displacing essential metal ions. J Mol Biol. 1998 Sep 25;282(3):557-69. doi: 10.1006/jmbi.1998.2035. PMID: 9737922.",,,,,https://pubmed.ncbi.nlm.nih.gov/1710351/,https://pubmed.ncbi.nlm.nih.gov/9737922/,,,,,588785,Yes,Yes,Vet_approved,DB00798,https://go.drugbank.com/drugs/DB00798,
DBoRL1941,Kanamycin C,"4-amino-2-[(4,6-diamino-3-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol",NC1CC(N)C(OC2OC(CO)C(O)C(N)C2O)C(O)C1OC1OC(CO)C(O)C(O)C1N,"InChI=1/C18H36N4O11/c19-4-1-5(20)16(33-18-13(28)8(21)10(25)6(2-23)31-18)14(29)15(4)32-17-9(22)12(27)11(26)7(3-24)30-17/h4-18,23-29H,1-3,19-22H2",WZDRWYJKESFZMB-UHFFFAOYNA-N,C18H36N4O11,Not Found,484.503,-7.060913449,11,15,6,3,T4 phage derived td intron,Kanamycin C binds to T4 phage derived td intron & inhibit the splicing process in vitro.,1710351,9737922,,,,,"1) von Ahsen U, Schroeder R. Streptomycin inhibits splicing of group I introns by competition with the guanosine substrate. Nucleic Acids Res. 1991 May 11;19(9):2261-5. doi: 10.1093/nar/19.9.2261. PMID: 1710351; PMCID: PMC329428.","2) Hoch I, Berens C, Westhof E, Schroeder R. Antibiotic inhibition of RNA catalysis: neomycin B binds to the catalytic core of the td group I intron displacing essential metal ions. J Mol Biol. 1998 Sep 25;282(3):557-69. doi: 10.1006/jmbi.1998.2035. PMID: 9737922.",,,,,https://pubmed.ncbi.nlm.nih.gov/1710351/,https://pubmed.ncbi.nlm.nih.gov/9737922/,,,,,16785,Yes,No,Experimental,DB13673,https://go.drugbank.com/drugs/DB13673,This is the isomeric form of the drug approved by USFDA.
DBoRL1942,Hexanamide derivative 1,"6-amino-2-(3-{[2-({5-amino-1-[(3-aminopropyl)carbamoyl]pentyl}carbamoyl)-2-{[1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]formamido}ethyl]disulfanyl}-2-{[1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]formamido}propanamido)-N-(3-aminopropyl)hexanamide",NCCCCC(NC(=O)C(CSSCC(NC(=O)C1CCCN1C(=O)c1ccc2c(c1)OCO2)C(=O)NC(CCCCN)C(=O)NCCCN)NC(=O)C1CCCN1C(=O)c1ccc2c(c1)OCO2)C(=O)NCCCN,"InChI=1/C50H74N12O12S2/c51-17-3-1-9-33(43(63)55-21-7-19-53)57-45(65)35(59-47(67)37-11-5-23-61(37)49(69)31-13-15-39-41(25-31)73-29-71-39)27-75-76-28-36(46(66)58-34(10-2-4-18-52)44(64)56-22-8-20-54)60-48(68)38-12-6-24-62(38)50(70)32-14-16-40-42(26-32)74-30-72-40/h13-16,25-26,33-38H,1-12,17-24,27-30,51-54H2,(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,67)(H,60,68)",JFJDLGPVBGMMHL-UHFFFAOYNA-N,C50H74N12O12S2,Not Found,1099.33,-3.615239034,10,16,31,6,r(CUG),"Myotonic dystrophy type 1 (DM1), the most common form of muscular dystrophy in adults, is an RNA-mediated disease. In this kind of disease, CUG repeats get dramatically expanded, accumulate in nuclei, and sequester RNA-binding proteins such as the splicing regulator MBNL1. Hexanamide derivative 1 selectively binds with CUG trinucleotide repeats of RNA and inhibits Muscleblind-like 1 (MBNL) protein binding.",18998634,19805260,19822739,19904940,19348464,19552411,"1) Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.","2) Arambula JF, Ramisetty SR, Baranger AM, Zimmerman SC. A simple ligand that selectively targets CUG trinucleotide repeats and inhibits MBNL protein binding. Proc Natl Acad Sci U S A. 2009 Sep 22;106(38):16068-73. doi: 10.1073/pnas.0901824106. Epub 2009 Sep 8. PMID: 19805260; PMCID: PMC2752522.","3) Warf MB, Nakamori M, Matthys CM, Thornton CA, Berglund JA. Pentamidine reverses the splicing defects associated with myotonic dystrophy. Proc Natl Acad Sci U S A. 2009 Nov 3;106(44):18551-6. doi: 10.1073/pnas.0903234106. Epub 2009 Oct 12. PMID: 19822739; PMCID: PMC2774031.","4) Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.","5) Lee MM, Pushechnikov A, Disney MD. Rational and modular design of potent ligands targeting the RNA that causes myotonic dystrophy 2. ACS Chem Biol. 2009 May 15;4(5):345-55. doi: 10.1021/cb900025w. PMID: 19348464; PMCID: PMC2748256.","6) Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",https://pubmed.ncbi.nlm.nih.gov/18998634/,https://pubmed.ncbi.nlm.nih.gov/19805260/,https://pubmed.ncbi.nlm.nih.gov/19822739/,https://pubmed.ncbi.nlm.nih.gov/19904940/,https://pubmed.ncbi.nlm.nih.gov/19348464/,https://pubmed.ncbi.nlm.nih.gov/19552411/,Not Found,No,No,,,,
DBoRL1943,Hexanamide derivative 3,6-amino-2-(3-{[2-({5-amino-1-[(3-aminopropyl)carbamoyl]pentyl}carbamoyl)-2-{[1-(2-ethylquinoline-3-carbonyl)pyrrolidin-2-yl]formamido}ethyl]disulfanyl}-2-{[1-(2-ethylquinoline-3-carbonyl)pyrrolidin-2-yl]formamido}propanamido)-N-(3-aminopropyl)hexanamide,CCc1nc2ccccc2cc1C(=O)N1CCCC1C(=O)NC(CSSCC(NC(=O)C1CCCN1C(=O)c1cc2ccccc2nc1CC)C(=O)NC(CCCCN)C(=O)NCCCN)C(=O)NC(CCCCN)C(=O)NCCCN,"InChI=1/C58H84N14O8S2/c1-3-41-39(33-37-17-5-7-19-43(37)65-41)57(79)71-31-13-23-49(71)55(77)69-47(53(75)67-45(21-9-11-25-59)51(73)63-29-15-27-61)35-81-82-36-48(54(76)68-46(22-10-12-26-60)52(74)64-30-16-28-62)70-56(78)50-24-14-32-72(50)58(80)40-34-38-18-6-8-20-44(38)66-42(40)4-2/h5-8,17-20,33-34,45-50H,3-4,9-16,21-32,35-36,59-62H2,1-2H3,(H,63,73)(H,64,74)(H,67,75)(H,68,76)(H,69,77)(H,70,78)",QNBIPVRCBPCZHB-UHFFFAOYNA-N,C58H84N14O8S2,Not Found,1169.52,-0.788313131,10,14,33,6,r(CUG),"Myotonic dystrophy type 1 (DM1), the most common form of muscular dystrophy in adults, is an RNA-mediated disease. In this kind of disease, CUG repeats get dramatically expanded, accumulate in nuclei, and sequester RNA-binding proteins such as the splicing regulator MBNL1. Hexanamide derivative 3 selectively binds with CUG trinucleotide repeats of RNA and inhibits Muscleblind-like 1 (MBNL) protein binding.",18998634,19805260,19822739,19904940,19348464,19552411,"1) Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.","2) Arambula JF, Ramisetty SR, Baranger AM, Zimmerman SC. A simple ligand that selectively targets CUG trinucleotide repeats and inhibits MBNL protein binding. Proc Natl Acad Sci U S A. 2009 Sep 22;106(38):16068-73. doi: 10.1073/pnas.0901824106. Epub 2009 Sep 8. PMID: 19805260; PMCID: PMC2752522.","3) Warf MB, Nakamori M, Matthys CM, Thornton CA, Berglund JA. Pentamidine reverses the splicing defects associated with myotonic dystrophy. Proc Natl Acad Sci U S A. 2009 Nov 3;106(44):18551-6. doi: 10.1073/pnas.0903234106. Epub 2009 Oct 12. PMID: 19822739; PMCID: PMC2774031.","4) Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.","5) Lee MM, Pushechnikov A, Disney MD. Rational and modular design of potent ligands targeting the RNA that causes myotonic dystrophy 2. ACS Chem Biol. 2009 May 15;4(5):345-55. doi: 10.1021/cb900025w. PMID: 19348464; PMCID: PMC2748256.","6) Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",https://pubmed.ncbi.nlm.nih.gov/18998634/,https://pubmed.ncbi.nlm.nih.gov/19805260/,https://pubmed.ncbi.nlm.nih.gov/19822739/,https://pubmed.ncbi.nlm.nih.gov/19904940/,https://pubmed.ncbi.nlm.nih.gov/19348464/,https://pubmed.ncbi.nlm.nih.gov/19552411/,Not Found,No,No,,,,
DBoRL1944,Butanediamide derivative 1,N-[1-({5-amino-1-[(3-aminopropyl)carbamoyl]pentyl}carbamoyl)-2-{[2-({5-amino-1-[(3-aminopropyl)carbamoyl]pentyl}carbamoyl)-2-{[1-(2-ethylquinoline-3-carbonyl)pyrrolidin-2-yl]formamido}ethyl]disulfanyl}ethyl]-2-[(2-ethylquinolin-3-yl)formamido]butanediamide,CCc1nc2ccccc2cc1C(=O)NC(CC(N)=O)C(=O)NC(CSSCC(NC(=O)C1CCCN1C(=O)c1cc2ccccc2nc1CC)C(=O)NC(CCCCN)C(=O)NCCCN)C(=O)NC(CCCCN)C(=O)NCCCN,"InChI=1/C57H83N15O9S2/c1-3-39-37(30-35-16-5-7-18-41(35)65-39)50(74)69-45(32-49(62)73)53(77)70-46(54(78)67-43(20-9-11-23-58)51(75)63-27-14-25-60)33-82-83-34-47(55(79)68-44(21-10-12-24-59)52(76)64-28-15-26-61)71-56(80)48-22-13-29-72(48)57(81)38-31-36-17-6-8-19-42(36)66-40(38)4-2/h5-8,16-19,30-31,43-48H,3-4,9-15,20-29,32-34,58-61H2,1-2H3,(H2,62,73)(H,63,75)(H,64,76)(H,67,78)(H,68,79)(H,69,74)(H,70,77)(H,71,80)",QNDLACCYPDRYFK-UHFFFAOYNA-N,C57H83N15O9S2,Not Found,1186.51,-2.51339037,12,15,36,5,r(CUG),"Myotonic dystrophy type 1 (DM1), the most common form of muscular dystrophy in adults, is an RNA-mediated disease. In this kind of disease, CUG repeats get dramatically expanded, accumulate in nuclei, and sequester RNA-binding proteins such as the splicing regulator MBNL1. Butanediamide derivative 1 selectively binds with CUG trinucleotide repeats of RNA and inhibits Muscleblind-like 1 (MBNL) protein binding.",18998634,19805260,19822739,19904940,19348464,19552411,"1) Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.","2) Arambula JF, Ramisetty SR, Baranger AM, Zimmerman SC. A simple ligand that selectively targets CUG trinucleotide repeats and inhibits MBNL protein binding. Proc Natl Acad Sci U S A. 2009 Sep 22;106(38):16068-73. doi: 10.1073/pnas.0901824106. Epub 2009 Sep 8. PMID: 19805260; PMCID: PMC2752522.","3) Warf MB, Nakamori M, Matthys CM, Thornton CA, Berglund JA. Pentamidine reverses the splicing defects associated with myotonic dystrophy. Proc Natl Acad Sci U S A. 2009 Nov 3;106(44):18551-6. doi: 10.1073/pnas.0903234106. Epub 2009 Oct 12. PMID: 19822739; PMCID: PMC2774031.","4) Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.","5) Lee MM, Pushechnikov A, Disney MD. Rational and modular design of potent ligands targeting the RNA that causes myotonic dystrophy 2. ACS Chem Biol. 2009 May 15;4(5):345-55. doi: 10.1021/cb900025w. PMID: 19348464; PMCID: PMC2748256.","6) Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",https://pubmed.ncbi.nlm.nih.gov/18998634/,https://pubmed.ncbi.nlm.nih.gov/19805260/,https://pubmed.ncbi.nlm.nih.gov/19822739/,https://pubmed.ncbi.nlm.nih.gov/19904940/,https://pubmed.ncbi.nlm.nih.gov/19348464/,https://pubmed.ncbi.nlm.nih.gov/19552411/,Not Found,No,No,,,,
DBoRL1945,Hexanamide derivative 2,"6-amino-2-(3-{[2-({5-amino-1-[(3-aminopropyl)carbamoyl]pentyl}carbamoyl)-2-{[1-(2H-1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]formamido}ethyl]disulfanyl}-2-{[1-(2-ethylquinoline-3-carbonyl)pyrrolidin-2-yl]formamido}propanamido)-N-(3-aminopropyl)hexanamide",CCc1nc2ccccc2cc1C(=O)N1CCCC1C(=O)NC(CSSCC(NC(=O)C1CCCN1C(=O)c1ccc2c(c1)OCO2)C(=O)NC(CCCCN)C(=O)NCCCN)C(=O)NC(CCCCN)C(=O)NCCCN,"InChI=1/C54H79N13O10S2/c1-2-37-36(29-34-13-3-4-14-38(34)61-37)54(75)67-28-10-18-44(67)52(73)65-42(50(71)63-40(16-6-8-22-56)48(69)60-26-12-24-58)32-79-78-31-41(49(70)62-39(15-5-7-21-55)47(68)59-25-11-23-57)64-51(72)43-17-9-27-66(43)53(74)35-19-20-45-46(30-35)77-33-76-45/h3-4,13-14,19-20,29-30,39-44H,2,5-12,15-18,21-28,31-33,55-58H2,1H3,(H,59,68)(H,60,69)(H,62,70)(H,63,71)(H,64,72)(H,65,73)",KXYZLDKDRCDEEC-UHFFFAOYNA-N,C54H79N13O10S2,Not Found,1134.43,-2.201404333,10,15,32,6,r(CUG),"Myotonic dystrophy type 1 (DM1), the most common form of muscular dystrophy in adults, is an RNA-mediated disease. In this kind of disease, CUG repeats get dramatically expanded, accumulate in nuclei, and sequester RNA-binding proteins such as the splicing regulator MBNL1. Hexanamide derivative 2 selectively binds with CUG trinucleotide repeats of RNA and inhibits Muscleblind-like 1 (MBNL) protein binding.",18998634,19805260,19822739,19904940,19348464,19552411,"1) Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.","2) Arambula JF, Ramisetty SR, Baranger AM, Zimmerman SC. A simple ligand that selectively targets CUG trinucleotide repeats and inhibits MBNL protein binding. Proc Natl Acad Sci U S A. 2009 Sep 22;106(38):16068-73. doi: 10.1073/pnas.0901824106. Epub 2009 Sep 8. PMID: 19805260; PMCID: PMC2752522.","3) Warf MB, Nakamori M, Matthys CM, Thornton CA, Berglund JA. Pentamidine reverses the splicing defects associated with myotonic dystrophy. Proc Natl Acad Sci U S A. 2009 Nov 3;106(44):18551-6. doi: 10.1073/pnas.0903234106. Epub 2009 Oct 12. PMID: 19822739; PMCID: PMC2774031.","4) Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.","5) Lee MM, Pushechnikov A, Disney MD. Rational and modular design of potent ligands targeting the RNA that causes myotonic dystrophy 2. ACS Chem Biol. 2009 May 15;4(5):345-55. doi: 10.1021/cb900025w. PMID: 19348464; PMCID: PMC2748256.","6) Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",https://pubmed.ncbi.nlm.nih.gov/18998634/,https://pubmed.ncbi.nlm.nih.gov/19805260/,https://pubmed.ncbi.nlm.nih.gov/19822739/,https://pubmed.ncbi.nlm.nih.gov/19904940/,https://pubmed.ncbi.nlm.nih.gov/19348464/,https://pubmed.ncbi.nlm.nih.gov/19552411/,Not Found,No,No,,,,
DBoRL1946,Carboximidamide derivative,4-{[5-(4-ethanimidoylphenoxy)pentyl]oxy}benzene-1-carboximidamide,CC(=N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1,"InChI=1S/C20H25N3O2/c1-15(21)16-5-9-18(10-6-16)24-13-3-2-4-14-25-19-11-7-17(8-12-19)20(22)23/h5-12,21H,2-4,13-14H2,1H3,(H3,22,23)",TUSYEIJMZUEDAR-UHFFFAOYSA-N,C20H25N3O2,Not Found,339.439,2.972292739,3,5,10,2,r(CUG),"Myotonic dystrophy type 1 (DM1), the most common form of muscular dystrophy in adults, is an RNA-mediated disease. In this kind of disease, CUG repeats get dramatically expanded, accumulate in nuclei, and sequester RNA-binding proteins such as the splicing regulator MBNL1. Carboximidamide derivative selectively binds with CUG trinucleotide repeats of RNA and inhibits Muscleblind-like 1 (MBNL) protein binding.",18998634,19805260,19822739,19904940,19348464,19552411,"1) Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.","2) Arambula JF, Ramisetty SR, Baranger AM, Zimmerman SC. A simple ligand that selectively targets CUG trinucleotide repeats and inhibits MBNL protein binding. Proc Natl Acad Sci U S A. 2009 Sep 22;106(38):16068-73. doi: 10.1073/pnas.0901824106. Epub 2009 Sep 8. PMID: 19805260; PMCID: PMC2752522.","3) Warf MB, Nakamori M, Matthys CM, Thornton CA, Berglund JA. Pentamidine reverses the splicing defects associated with myotonic dystrophy. Proc Natl Acad Sci U S A. 2009 Nov 3;106(44):18551-6. doi: 10.1073/pnas.0903234106. Epub 2009 Oct 12. PMID: 19822739; PMCID: PMC2774031.","4) Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.","5) Lee MM, Pushechnikov A, Disney MD. Rational and modular design of potent ligands targeting the RNA that causes myotonic dystrophy 2. ACS Chem Biol. 2009 May 15;4(5):345-55. doi: 10.1021/cb900025w. PMID: 19348464; PMCID: PMC2748256.","6) Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",https://pubmed.ncbi.nlm.nih.gov/18998634/,https://pubmed.ncbi.nlm.nih.gov/19805260/,https://pubmed.ncbi.nlm.nih.gov/19822739/,https://pubmed.ncbi.nlm.nih.gov/19904940/,https://pubmed.ncbi.nlm.nih.gov/19348464/,https://pubmed.ncbi.nlm.nih.gov/19552411/,58586324,No,No,,,,
DBoRL1947,Pent-4-ynamide derivative,"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)pent-4-ynamide",C#CCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C23H40N4O12/c1-2-3-4-12(29)27-6-10-15(31)17(33)18(34)23(36-10)39-21-9(25)5-8(24)20(19(21)35)38-22-16(32)13(26)14(30)11(7-28)37-22/h1,8-11,13-23,28,30-35H,3-7,24-26H2,(H,27,29)",NSNROIYZVCKQJB-UHFFFAOYNA-N,C23H40N4O12,Not Found,564.589,-6.459548433,11,15,9,3,r(CUG),"Myotonic dystrophy type 1 (DM1), the most common form of muscular dystrophy in adults, is an RNA-mediated disease. In this kind of disease, CUG repeats get dramatically expanded, accumulate in nuclei, and sequester RNA-binding proteins such as the splicing regulator MBNL1. Pent-4-ynamide derivative selectively binds with CUG trinucleotide repeats of RNA and inhibits Muscleblind-like 1 (MBNL) protein binding.",18998634,19805260,19822739,19904940,19348464,19552411,"1) Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.","2) Arambula JF, Ramisetty SR, Baranger AM, Zimmerman SC. A simple ligand that selectively targets CUG trinucleotide repeats and inhibits MBNL protein binding. Proc Natl Acad Sci U S A. 2009 Sep 22;106(38):16068-73. doi: 10.1073/pnas.0901824106. Epub 2009 Sep 8. PMID: 19805260; PMCID: PMC2752522.","3) Warf MB, Nakamori M, Matthys CM, Thornton CA, Berglund JA. Pentamidine reverses the splicing defects associated with myotonic dystrophy. Proc Natl Acad Sci U S A. 2009 Nov 3;106(44):18551-6. doi: 10.1073/pnas.0903234106. Epub 2009 Oct 12. PMID: 19822739; PMCID: PMC2774031.","4) Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.","5) Lee MM, Pushechnikov A, Disney MD. Rational and modular design of potent ligands targeting the RNA that causes myotonic dystrophy 2. ACS Chem Biol. 2009 May 15;4(5):345-55. doi: 10.1021/cb900025w. PMID: 19348464; PMCID: PMC2748256.","6) Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",https://pubmed.ncbi.nlm.nih.gov/18998634/,https://pubmed.ncbi.nlm.nih.gov/19805260/,https://pubmed.ncbi.nlm.nih.gov/19822739/,https://pubmed.ncbi.nlm.nih.gov/19904940/,https://pubmed.ncbi.nlm.nih.gov/19348464/,https://pubmed.ncbi.nlm.nih.gov/19552411/,Not Found,No,No,,,,
DBoRL1948,Phenoxy butanamide ,"N-(3-azidopropyl)-4-(3-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamide",CN1CCN(c2ccc3nc(-c4ccc5nc(-c6cccc(OCCCC(=O)NCCCN=[N+]=[N-])c6)[nH]c5c4)[nH]c3c2)CC1,"InChI=1S/C32H36N10O2/c1-41-14-16-42(17-15-41)24-9-11-27-29(21-24)39-32(37-27)23-8-10-26-28(20-23)38-31(36-26)22-5-2-6-25(19-22)44-18-3-7-30(43)34-12-4-13-35-40-33/h2,5-6,8-11,19-21H,3-4,7,12-18H2,1H3,(H,34,43)(H,36,38)(H,37,39)",PAYVJEWMAWLKAP-UHFFFAOYSA-N,C32H36N10O2,1049722-30-6,592.708,4.003387712,3,8,12,6,r(CUG),"Myotonic dystrophy type 1 (DM1), the most common form of muscular dystrophy in adults, is an RNA-mediated disease. In this kind of disease, CUG repeats get dramatically expanded, accumulate in nuclei, and sequester RNA-binding proteins such as the splicing regulator MBNL1. Phenoxy butanamide selectively binds with CUG trinucleotide repeats of RNA and inhibits Muscleblind-like 1 (MBNL) protein binding.",18998634,19805260,19822739,19904940,19348464,19552411,"1) Gareiss PC, Sobczak K, McNaughton BR, Palde PB, Thornton CA, Miller BL. Dynamic combinatorial selection of molecules capable of inhibiting the (CUG) repeat RNA-MBNL1 interaction in vitro: discovery of lead compounds targeting myotonic dystrophy (DM1). J Am Chem Soc. 2008 Dec 3;130(48):16254-61. doi: 10.1021/ja804398y. PMID: 18998634; PMCID: PMC2645920.","2) Arambula JF, Ramisetty SR, Baranger AM, Zimmerman SC. A simple ligand that selectively targets CUG trinucleotide repeats and inhibits MBNL protein binding. Proc Natl Acad Sci U S A. 2009 Sep 22;106(38):16068-73. doi: 10.1073/pnas.0901824106. Epub 2009 Sep 8. PMID: 19805260; PMCID: PMC2752522.","3) Warf MB, Nakamori M, Matthys CM, Thornton CA, Berglund JA. Pentamidine reverses the splicing defects associated with myotonic dystrophy. Proc Natl Acad Sci U S A. 2009 Nov 3;106(44):18551-6. doi: 10.1073/pnas.0903234106. Epub 2009 Oct 12. PMID: 19822739; PMCID: PMC2774031.","4) Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.","5) Lee MM, Pushechnikov A, Disney MD. Rational and modular design of potent ligands targeting the RNA that causes myotonic dystrophy 2. ACS Chem Biol. 2009 May 15;4(5):345-55. doi: 10.1021/cb900025w. PMID: 19348464; PMCID: PMC2748256.","6) Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",https://pubmed.ncbi.nlm.nih.gov/18998634/,https://pubmed.ncbi.nlm.nih.gov/19805260/,https://pubmed.ncbi.nlm.nih.gov/19822739/,https://pubmed.ncbi.nlm.nih.gov/19904940/,https://pubmed.ncbi.nlm.nih.gov/19348464/,https://pubmed.ncbi.nlm.nih.gov/19552411/,44221088,No,No,,,,
DBoRL1949,Coralyne,"2,3,10,11-tetramethoxy-5-methyl-6??-azatetraphen-6-ylium",COC1=CC2=C(C=C1OC)C1=CC3=CC(OC)=C(OC)C=C3C(C)=[N+]1C=C2,"InChI=1S/C22H22NO4/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18/h6-12H,1-5H3/q+1",GOEJQGGEIVSVOK-UHFFFAOYSA-N,C22H22NO4,"38989-38-7,1031265-39-0,38989-37-6",364.42,0.209811641,0,4,4,4,poly (A),"The compound binds to poly(dA) with unexpectedly high affinity (Ka >107 M1), and that the crescent shape of coralyne appears necessary for poly(A) binding. Coralyne strongly binds poly(A) with an association constant. For one particular ligand, at least six ligand molecules are required to stabilize the poly(A) self-structure at room temperature. This highly cooperative binding produces very sharp transitions between unstructured and structured poly(A) as a function of ligand concentration. Coralyne also binds poly(A) with an association constant. Binding of coralyne to poly(A) is predominantly enthalpically driven with a stoichiometry of one coralyne per four adenine bases. Poly(A) forms a coralyne dependent secondary structure with a melting temperature of 60? C.",19073699,16125177,,,,,"1) Cetinkol OP, Hud NV. Molecular recognition of poly(A) by small ligands: an alternative method of analysis reveals nanomolar, cooperative and shape-selective binding. Nucleic Acids Res. 2009 Feb;37(2):611-21. doi: 10.1093/nar/gkn977. Epub 2008 Dec 10. PMID: 19073699; PMCID: PMC2632892.","2) Xing F, Song G, Ren J, Chaires JB, Qu X. Molecular recognition of nucleic acids: coralyne binds strongly to poly(A). FEBS Lett. 2005 Sep 12;579(22):5035-9. doi: 10.1016/j.febslet.2005.07.091. PMID: 16125177.",,,,,https://pubmed.ncbi.nlm.nih.gov/19073699/,https://pubmed.ncbi.nlm.nih.gov/16125177/,,,,,23307,No,No,,,,
DBoRL1950,Methyl carbamate derivative,"{11-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.0?,?.0?,?]trideca-1(9),7,11-trien-8-yl}methyl carbamate",COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2CC2C3N2C)C1=O,"InChI=1/C16H17N3O5/c1-6-13(20)12-9(14(21)15(6)23-3)7(5-24-16(17)22)10-11-8(18(11)2)4-19(10)12/h8,11H,4-5H2,1-3H3,(H2,17,22)",FSJQMPDKDHPEJH-UHFFFAOYNA-N,C16H17N3O5,Not Found,331.328,-0.314288297,1,5,4,4,SL-3 of HIV-1_SITE,"Stem loop 3 (SL3) RNA essential for genome packaging of HIV-1. Methyl carbamate derivative specifically binds to stem loop 3 (SL3) RNA of the packaging element ? of HIV-1. As a result, the HIV-1 genome packaging inhibited.  ",19691339,21762803,,,,,"1) Warui DM, Baranger AM. Identification of specific small molecule ligands for stem loop 3 ribonucleic acid of the packaging signal Psi of human immunodeficiency virus-1. J Med Chem. 2009 Sep 10;52(17):5462-73. doi: 10.1021/jm900599v. PMID: 19691339.","2) Lu K, Heng X, Summers MF. Structural determinants and mechanism of HIV-1 genome packaging. J Mol Biol. 2011 Jul 22;410(4):609-33. doi: 10.1016/j.jmb.2011.04.029. PMID: 21762803; PMCID: PMC3139105.",,,,,https://pubmed.ncbi.nlm.nih.gov/19691339/,https://pubmed.ncbi.nlm.nih.gov/21762803/,,,,,27590,No,No,,,,
DBoRL1951,Methylpiperazine derivative ,"1-[2-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methylpiperazine",Cc1cc(N2CCN(C)CC2)n2nc(-c3ccc(Cl)cc3)nc2n1,"InChI=1S/C17H19ClN6/c1-12-11-15(23-9-7-22(2)8-10-23)24-17(19-12)20-16(21-24)13-3-5-14(18)6-4-13/h3-6,11H,7-10H2,1-2H3",NBVBJTYUHRBBTF-UHFFFAOYSA-N,C17H19ClN6,Not Found,342.83,3.515011556,0,5,2,4,SL-3 of HIV-1_SITE,"Stem loop 3 (SL3) RNA essential for genome packaging of HIV-1. Methylpiperazine derivative specifically binds to stem loop 3 (SL3) RNA of the packaging element ? of HIV-1. As a result, the HIV-1 genome packaging inhibited.  ",19691339,21762803,,,,,"1) Warui DM, Baranger AM. Identification of specific small molecule ligands for stem loop 3 ribonucleic acid of the packaging signal Psi of human immunodeficiency virus-1. J Med Chem. 2009 Sep 10;52(17):5462-73. doi: 10.1021/jm900599v. PMID: 19691339.","2) Lu K, Heng X, Summers MF. Structural determinants and mechanism of HIV-1 genome packaging. J Mol Biol. 2011 Jul 22;410(4):609-33. doi: 10.1016/j.jmb.2011.04.029. PMID: 21762803; PMCID: PMC3139105.",,,,,https://pubmed.ncbi.nlm.nih.gov/19691339/,https://pubmed.ncbi.nlm.nih.gov/21762803/,,,,,318119,No,No,,,,
DBoRL1952,Pyrithiamine Pyrophosphate Derivative,1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-{[hydrogen phosphonato(oxido)phosphoryl]oxy}ethyl)pyridin-1-ium,Cc1ncc(C[n+]2cccc(CCOP(=O)([O-])P(=O)([O-])O)c2)c(N)n1,"InChI=1S/C13H18N4O6P2/c1-10-15-7-12(13(14)16-10)9-17-5-2-3-11(8-17)4-6-23-25(21,22)24(18,19)20/h2-3,5,7-8H,4,6,9H2,1H3,(H4-,14,15,16,18,19,20,21,22)/p-1",HJQGKWVTNGRDNB-UHFFFAOYSA-M,C13H17N4O6P2,Not Found,387.249,-7.157105369,2,8,7,2,B.subtilis tenA FMN riboswitch,Pyrithiamine pyrophosphate (PTPP) binds the TPP riboswitch controlling the tenA operon.,19871344,16578020,,,,,"1) Woolley DW, White AG. SELECTIVE REVERSIBLE INHIBITION OF MICROBIAL GROWTH WITH PYRITHIAMINE. J Exp Med. 1943 Dec 1;78(6):489-97. doi: 10.1084/jem.78.6.489. PMID: 19871344; PMCID: PMC2135420.1","2) Robbins WJ. The Pyridine Analog of Thiamin and the Growth of Fungi. Proc Natl Acad Sci U S A. 1941 Sep 15;27(9):419-22. doi: 10.1073/pnas.27.9.419. PMID: 16578020; PMCID: PMC1078353. 3) Sudarsan, N. et al. Chem. Biol.,2005,12, 1325?1335| Kluger, R. et al. Chem. Rev. ,2008,108, 1797?1834",,,,,https://pubmed.ncbi.nlm.nih.gov/19871344/,https://pubmed.ncbi.nlm.nih.gov/16578020/,,,,,Not Found,No,No,,,,
DBoRL1953,Pyrithiamine,1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)pyridin-1-ium,Cc1ncc(C[n+]2cccc(CCO)c2)c(N)n1,"InChI=1S/C13H17N4O/c1-10-15-7-12(13(14)16-10)9-17-5-2-3-11(8-17)4-6-18/h2-3,5,7-8,18H,4,6,9H2,1H3,(H2,14,15,16)/q+1",VZFRPLUMLWKPKZ-UHFFFAOYSA-N,C13H17N4O,Not Found,245.305,-3.553388501,2,4,4,2,B.subtilis tenA TPP riboswitch,"Pyrithiamine (PT), a thiamine analogue, interact with TPP riboswitches in bacteria and fungi. The compound binds the TPP riboswitch and controlling the tenA operon.",19871344,16578020,16356850,,,,"1) Woolley DW, White AG. SELECTIVE REVERSIBLE INHIBITION OF MICROBIAL GROWTH WITH PYRITHIAMINE. J Exp Med. 1943 Dec 1;78(6):489-97. doi: 10.1084/jem.78.6.489. PMID: 19871344; PMCID: PMC2135420.1","2) Robbins WJ. The Pyridine Analog of Thiamin and the Growth of Fungi. Proc Natl Acad Sci U S A. 1941 Sep 15;27(9):419-22. doi: 10.1073/pnas.27.9.419. PMID: 16578020; PMCID: PMC1078353. 3) Sudarsan, N. et al. Chem. Biol.,2005,12, 1325?1335| Kluger, R. et al. Chem. Rev. ,2008,108, 1797?1834","3) Sudarsan N, Cohen-Chalamish S, Nakamura S, Emilsson GM, Breaker RR. Thiamine pyrophosphate riboswitches are targets for the antimicrobial compound pyrithiamine. Chem Biol. 2005 Dec;12(12):1325-35. doi: 10.1016/j.chembiol.2005.10.007. PMID: 16356850.",,,,https://pubmed.ncbi.nlm.nih.gov/19871344/,https://pubmed.ncbi.nlm.nih.gov/16356850/,,,,,Not Found,No,No,,,,
DBoRL1954,Butanamide derivative 1,"N-[2-(4-{[N-(carbamoylmethyl)-2-(2-{2-[2-(2-{methyl[(1-{2-[4-(3-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]ethyl}-1H-1,2,3-triazol-4-yl)methyl]amino}-N-propylacetamido)-N-propylacetamido]-N-propylacetamido}-N-propylacetamido)acetamido]methyl}-1H-1,2,3-triazol-1-yl)ethyl]-4-(3-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamide",CCCN(CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CC(N)=O)Cc1cn(CCNC(=O)CCCOc2cccc(-c3nc4ccc(-c5nc6ccc(N7CCN(C)CC7)cc6[nH]5)cc4[nH]3)c2)nn1)C(=O)CN(C)Cc1cn(CCNC(=O)CCCOc2cccc(-c3nc4ccc(-c5nc6ccc(N7CCN(C)CC7)cc6[nH]5)cc4[nH]3)c2)nn1,"InChI=1S/C93H119N27O10/c1-8-32-114(85(124)59-111(7)54-68-56-119(107-105-68)36-30-95-83(122)20-14-46-129-72-18-12-16-64(48-72)90-97-74-26-22-66(50-78(74)101-90)92-99-76-28-24-70(52-80(76)103-92)112-42-38-109(5)39-43-112)60-86(125)115(33-9-2)61-87(126)116(34-10-3)62-88(127)117(35-11-4)63-89(128)118(58-82(94)121)55-69-57-120(108-106-69)37-31-96-84(123)21-15-47-130-73-19-13-17-65(49-73)91-98-75-27-23-67(51-79(75)102-91)93-100-77-29-25-71(53-81(77)104-93)113-44-40-110(6)41-45-113/h12-13,16-19,22-29,48-53,56-57H,8-11,14-15,20-21,30-47,54-55,58-63H2,1-7H3,(H2,94,121)(H,95,122)(H,96,123)(H,97,101)(H,98,102)(H,99,103)(H,100,104)",TZQLRKYPFJMPFM-UHFFFAOYSA-N,C93H119N27O10,Not Found,1775.15,4.959675359,7,23,46,14,DM1-RNA-MBNL1,Butanamide derivative 1 targets RNA that cause myotonic muscular dystrophy. The compound binds to a series of RNAs and for inhibiting the formation of the toxic DM2 RNA-muscleblind protein (MBNL-1) interaction that cause myotonic muscular dystrophy.,19904940,19348464,19552411,,,,"1) Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.","2) Lee MM, Pushechnikov A, Disney MD. Rational and modular design of potent ligands targeting the RNA that causes myotonic dystrophy 2. ACS Chem Biol. 2009 May 15;4(5):345-55. doi: 10.1021/cb900025w. PMID: 19348464; PMCID: PMC2748256.","3) Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,Not Found,No,No,,,,
DBoRL1955,Butanamide derivative 2,"N-[2-(4-{[N-(carbamoylmethyl)-2-{2-[2-(2-{2-[({[({[2-(2-{methyl[(1-{2-[4-(3-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]ethyl}-1H-1,2,3-triazol-4-yl)methyl]amino}-N-propylacetamido)-2-oxoethyl](propyl)carbamoyl}methyl)(propyl)carbamoyl]methyl}(propyl)carbamoyl)[(1-{2-[4-(3-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]ethyl}-1H-1,2,3-triazol-4-yl)methyl]amino]-N-propylacetamido}-N-propylacetamido)-N-propylacetamido]-N-propylacetamido}acetamido]methyl}-1H-1,2,3-triazol-1-yl)ethyl]-4-(3-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamide",CCCN(CC(=O)N(CCC)CC(=O)N(CC(N)=O)Cc1cn(CCNC(=O)CCCOc2cccc(-c3nc4ccc(-c5nc6ccc(N7CCN(C)CC7)cc6[nH]5)cc4[nH]3)c2)nn1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(Cc1cn(CCNC(=O)CCCOc2cccc(-c3nc4ccc(-c5nc6ccc(N7CCN(C)CC7)cc6[nH]5)cc4[nH]3)c2)nn1)C(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)C(=O)CN(C)Cc1cn(CCNC(=O)CCCOc2cccc(-c3nc4ccc(-c5nc6ccc(N7CCN(C)CC7)cc6[nH]5)cc4[nH]3)c2)nn1,"InChI=1S/C148H192N42O17/c1-13-51-178(94-133(195)179(52-14-2)95-135(197)182(55-17-5)98-139(201)185(92-129(149)191)87-109-90-188(169-166-109)60-49-151-131(193)34-25-75-206-115-31-22-28-103(78-115)143-154-118-43-37-106(81-124(118)160-143)146-157-121-46-40-112(84-127(121)163-146)176-70-64-172(10)65-71-176)134(196)96-181(54-16-4)138(200)100-186(88-110-91-189(170-167-110)61-50-152-132(194)35-26-76-207-116-32-23-29-104(79-116)144-155-119-44-38-107(82-125(119)161-144)147-158-122-47-41-113(85-128(122)164-147)177-72-66-173(11)67-73-177)148(204)184(57-19-7)99-137(199)180(53-15-3)97-136(198)183(56-18-6)101-141(203)190(58-20-8)140(202)93-174(12)86-108-89-187(168-165-108)59-48-150-130(192)33-24-74-205-114-30-21-27-102(77-114)142-153-117-42-36-105(80-123(117)159-142)145-156-120-45-39-111(83-126(120)162-145)175-68-62-171(9)63-69-175/h21-23,27-32,36-47,77-85,89-91H,13-20,24-26,33-35,48-76,86-88,92-101H2,1-12H3,(H2,149,191)(H,150,192)(H,151,193)(H,152,194)(H,153,159)(H,154,160)(H,155,161)(H,156,162)(H,157,163)(H,158,164)",RMNWAKWKCNSLPI-UHFFFAOYSA-N,C148H192N42O17,Not Found,2831.44,8.323896734,10,36,75,21,DM1-RNA-MBNL1,Butanamide derivative 2 targets RNA that cause myotonic muscular dystrophy. The compound binds to a series of RNAs and for inhibiting the formation of the toxic DM2 RNA-muscleblind protein (MBNL-1) interaction that cause myotonic muscular dystrophy.,19904940,19348464,19552411,,,,"1) Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.","2) Lee MM, Pushechnikov A, Disney MD. Rational and modular design of potent ligands targeting the RNA that causes myotonic dystrophy 2. ACS Chem Biol. 2009 May 15;4(5):345-55. doi: 10.1021/cb900025w. PMID: 19348464; PMCID: PMC2748256.","3) Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,Not Found,No,No,,,,
DBoRL1956,Butanamide derivative 3,"N-[2-(4-{[N-(carbamoylmethyl)-2-[2-(2-{2-[2-({[({[(2-{2-[({[({[2-(2-{methyl[(1-{2-[4-(3-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]ethyl}-1H-1,2,3-triazol-4-yl)methyl]amino}-N-propylacetamido)-2-oxoethyl](propyl)carbamoyl}methyl)(propyl)carbamoyl]methyl}(propyl)carbamoyl)[(1-{2-[4-(3-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]ethyl}-1H-1,2,3-triazol-4-yl)methyl]amino]-N-propylacetamido}-2-oxoethyl)(propyl)carbamoyl]methyl}(propyl)carbamoyl)methyl](propyl)carbamoyl}[(1-{2-[4-(3-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]ethyl}-1H-1,2,3-triazol-4-yl)methyl]amino)-N-propylacetamido]-N-propylacetamido}-N-propylacetamido)-N-propylacetamido]acetamido]methyl}-1H-1,2,3-triazol-1-yl)ethyl]-4-(3-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamide",CCCN(CC(=O)N(CCC)CC(=O)N(CC(N)=O)Cc1cn(CCNC(=O)CCCOc2cccc(-c3nc4ccc(-c5nc6ccc(N7CCN(C)CC7)cc6[nH]5)cc4[nH]3)c2)nn1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(Cc1cn(CCNC(=O)CCCOc2cccc(-c3nc4ccc(-c5nc6ccc(N7CCN(C)CC7)cc6[nH]5)cc4[nH]3)c2)nn1)C(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)C(=O)CN(Cc1cn(CCNC(=O)CCCOc2cccc(-c3nc4ccc(-c5nc6ccc(N7CCN(C)CC7)cc6[nH]5)cc4[nH]3)c2)nn1)C(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)C(=O)CN(C)Cc1cn(CCNC(=O)CCCOc2cccc(-c3nc4ccc(-c5nc6ccc(N7CCN(C)CC7)cc6[nH]5)cc4[nH]3)c2)nn1,"InChI=1S/C203H265N57O24/c1-18-70-242(128-181(266)243(71-19-2)129-183(268)247(75-23-6)133-189(274)252(126-176(204)261)119-149-123-256(230-226-149)83-67-206-178(263)47-35-103-282-157-43-31-39-141(107-157)195-210-161-59-51-145(111-169(161)218-195)199-214-165-63-55-153(115-173(165)222-199)239-96-88-234(14)89-97-239)182(267)130-246(74-22-5)188(273)136-253(120-150-124-257(231-227-150)84-68-207-179(264)48-36-104-283-158-44-32-40-142(108-158)196-211-162-60-52-146(112-170(162)219-196)200-215-166-64-56-154(116-174(166)223-200)240-98-90-235(15)91-99-240)202(279)250(78-26-9)134-186(271)244(72-20-3)132-185(270)249(77-25-8)138-192(277)260(81-29-12)193(278)139-254(121-151-125-258(232-228-151)85-69-208-180(265)49-37-105-284-159-45-33-41-143(109-159)197-212-163-61-53-147(113-171(163)220-197)201-216-167-65-57-155(117-175(167)224-201)241-100-92-236(16)93-101-241)203(280)251(79-27-10)135-187(272)245(73-21-4)131-184(269)248(76-24-7)137-191(276)259(80-28-11)190(275)127-237(17)118-148-122-255(229-225-148)82-66-205-177(262)46-34-102-281-156-42-30-38-140(106-156)194-209-160-58-50-144(110-168(160)217-194)198-213-164-62-54-152(114-172(164)221-198)238-94-86-233(13)87-95-238/h30-33,38-45,50-65,106-117,122-125H,18-29,34-37,46-49,66-105,118-121,126-139H2,1-17H3,(H2,204,261)(H,205,262)(H,206,263)(H,207,264)(H,208,265)(H,209,217)(H,210,218)(H,211,219)(H,212,220)(H,213,221)(H,214,222)(H,215,223)(H,216,224)",RFTUFUHLVQMZSR-UHFFFAOYSA-N,C203H265N57O24,Not Found,3887.73,11.68811811,13,49,104,28,DM1-RNA-MBNL1,Butanamide derivative 3 targets RNA that cause myotonic muscular dystrophy. The compound binds to a series of RNAs and for inhibiting the formation of the toxic DM2 RNA-muscleblind protein (MBNL-1) interaction that cause myotonic muscular dystrophy.,19904940,19348464,19552411,,,,"1) Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.","2) Lee MM, Pushechnikov A, Disney MD. Rational and modular design of potent ligands targeting the RNA that causes myotonic dystrophy 2. ACS Chem Biol. 2009 May 15;4(5):345-55. doi: 10.1021/cb900025w. PMID: 19348464; PMCID: PMC2748256.","3) Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,Not Found,No,No,,,,
DBoRL1957,Butanamide derivative 4,,CCCN(CC(=O)N(CCC)CC(=O)N(CC(N)=O)Cc1cn(CCNC(=O)CCCOc2cccc(-c3nc4ccc(-c5nc6ccc(N7CCN(C)CC7)cc6[nH]5)cc4[nH]3)c2)nn1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(Cc1cn(CCNC(=O)CCCOc2cccc(-c3nc4ccc(-c5nc6ccc(N7CCN(C)CC7)cc6[nH]5)cc4[nH]3)c2)nn1)C(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)C(=O)CN(Cc1cn(CCNC(=O)CCCOc2cccc(-c3nc4ccc(-c5nc6ccc(N7CCN(C)CC7)cc6[nH]5)cc4[nH]3)c2)nn1)C(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)C(=O)CN(Cc1cn(CNC(=O)CCCOc2cccc(-c3nc4ccc(-c5nc6ccc(N7CCN(C)CC7)cc6[nH]5)cc4[nH]3)c2)nn1)C(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)C(=O)CN(C)Cc1cn(CCNC(=O)CCCOc2cccc(-c3nc4ccc(-c5nc6ccc(N7CCN(C)CC7)cc6[nH]5)cc4[nH]3)c2)nn1,"InChI=1S/C257H336N72O31/c1-23-88-305(160-228(336)306(89-24-2)161-230(338)311(94-29-7)166-238(346)318(158-222(258)330)149-188-154-323(290-285-188)105-85-260-224(332)60-45-129-357-198-55-40-50-178(134-198)246-265-203-75-65-183(139-213(203)275-246)251-270-208-80-70-193(144-218(208)280-251)301-120-110-295(18)111-121-301)229(337)162-310(93-28-6)237(345)170-319(150-189-155-324(291-286-189)106-86-261-225(333)61-46-130-358-199-56-41-51-179(135-199)247-266-204-76-66-184(140-214(204)276-247)252-271-209-81-71-194(145-219(209)281-252)302-122-112-296(19)113-123-302)255(353)315(98-33-11)167-234(342)307(90-25-3)164-232(340)313(96-31-9)172-241(349)328(102-37-15)243(351)174-320(151-190-156-325(292-287-190)107-87-262-226(334)62-47-131-359-200-57-42-52-180(136-200)248-267-205-77-67-185(141-215(205)277-248)253-272-210-82-72-195(146-220(210)282-253)303-124-114-297(20)115-125-303)256(354)316(99-34-12)168-235(343)309(92-27-5)165-233(341)314(97-32-10)173-242(350)329(103-38-16)244(352)175-321(152-191-157-326(293-288-191)176-263-227(335)63-48-132-360-201-58-43-53-181(137-201)249-268-206-78-68-186(142-216(206)278-249)254-273-211-83-73-196(147-221(211)283-254)304-126-116-298(21)117-127-304)257(355)317(100-35-13)169-236(344)308(91-26-4)163-231(339)312(95-30-8)171-240(348)327(101-36-14)239(347)159-299(22)148-187-153-322(289-284-187)104-84-259-223(331)59-44-128-356-197-54-39-49-177(133-197)245-264-202-74-64-182(138-212(202)274-245)250-269-207-79-69-192(143-217(207)279-250)300-118-108-294(17)109-119-300/h39-43,49-58,64-83,133-147,153-157H,23-38,44-48,59-63,84-132,148-152,158-176H2,1-22H3,(H2,258,330)(H,259,331)(H,260,332)(H,261,333)(H,262,334)(H,263,335)(H,264,274)(H,265,275)(H,266,276)(H,267,277)(H,268,278)(H,269,279)(H,270,280)(H,271,281)(H,272,282)(H,273,283)",AYGVVOZEVIVIDB-UHFFFAOYSA-N,C257H336N72O31,Not Found,4929.99,15.16244043,16,62,132,35,DM1-RNA-MBNL1,Butanamide derivative 4 targets RNA that cause myotonic muscular dystrophy. The compound binds to a series of RNAs and for inhibiting the formation of the toxic DM2 RNA-muscleblind protein (MBNL-1) interaction that cause myotonic muscular dystrophy.,19904940,19348464,19552411,,,,"1) Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.","2) Lee MM, Pushechnikov A, Disney MD. Rational and modular design of potent ligands targeting the RNA that causes myotonic dystrophy 2. ACS Chem Biol. 2009 May 15;4(5):345-55. doi: 10.1021/cb900025w. PMID: 19348464; PMCID: PMC2748256.","3) Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,Not Found,No,No,,,,
DBoRL1958,N-propylbutanamide derivative,"4-(3-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)-N-propylbutanamide",CCCNC(=O)CCCOc1cccc(-c2nc3ccc(-c4nc5ccc(N6CCN(C)CC6)cc5[nH]4)cc3[nH]2)c1,"InChI=1S/C32H37N7O2/c1-3-13-33-30(40)8-5-18-41-25-7-4-6-22(19-25)31-34-26-11-9-23(20-28(26)36-31)32-35-27-12-10-24(21-29(27)37-32)39-16-14-38(2)15-17-39/h4,6-7,9-12,19-21H,3,5,8,13-18H2,1-2H3,(H,33,40)(H,34,36)(H,35,37)",TVSPINNJZPMQJG-UHFFFAOYSA-N,C32H37N7O2,Not Found,551.695,4.692515904,3,6,10,6,DM1-RNA-MBNL1,N-propylbutanamide derivative targets RNA that cause myotonic muscular dystrophy. The compound binds to a series of RNAs and for inhibiting the formation of the toxic DM2 RNA-muscleblind protein (MBNL-1) interaction that cause myotonic muscular dystrophy.,19904940,19348464,19552411,,,,"1) Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.","2) Lee MM, Pushechnikov A, Disney MD. Rational and modular design of potent ligands targeting the RNA that causes myotonic dystrophy 2. ACS Chem Biol. 2009 May 15;4(5):345-55. doi: 10.1021/cb900025w. PMID: 19348464; PMCID: PMC2748256.","3) Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,134332907,No,No,,,,
DBoRL1959,Pentanamide derivative 1,"N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)pentanamide",CCCCC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C23H44N4O12/c1-2-3-4-12(29)27-6-10-15(31)17(33)18(34)23(36-10)39-21-9(25)5-8(24)20(19(21)35)38-22-16(32)13(26)14(30)11(7-28)37-22/h8-11,13-23,28,30-35H,2-7,24-26H2,1H3,(H,27,29)",MVIGEMIZSQRHLI-UHFFFAOYNA-N,C23H44N4O12,Not Found,568.621,-5.652393669,11,15,10,3,DM1-RNA-MBNL1,Pentanamide derivative 1 targets RNA that cause myotonic muscular dystrophy. The compound binds to a series of RNAs and for inhibiting the formation of the toxic DM2 RNA-muscleblind protein (MBNL-1) interaction that cause myotonic muscular dystrophy.,19904940,19348464,19552411,,,,"1) Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.","2) Lee MM, Pushechnikov A, Disney MD. Rational and modular design of potent ligands targeting the RNA that causes myotonic dystrophy 2. ACS Chem Biol. 2009 May 15;4(5):345-55. doi: 10.1021/cb900025w. PMID: 19348464; PMCID: PMC2748256.","3) Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,Not Found,No,No,,,,
DBoRL1960,Pentanamide derivative 2,"5-(1-{3-[N-(carbamoylmethyl)-2-[2-(2-{[3-(4-{4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]butyl}-1H-1,2,3-triazol-1-yl)propyl](methyl)amino}-N-propylacetamido)-N-propylacetamido]acetamido]propyl}-1H-1,2,3-triazol-4-yl)-N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)pentanamide",CCCN(CC(=O)N(CCC)CC(=O)N(CCCn1cc(CCCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)CC(N)=O)C(=O)CN(C)CCCn1cc(CCCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1,"InChI=1/C71H127N19O28/c1-4-16-86(47(96)29-85(3)18-10-20-89-26-34(81-83-89)12-6-8-14-45(94)79-24-40-54(101)58(105)60(107)70(111-40)117-66-38(74)22-36(72)64(62(66)109)115-68-56(103)50(77)52(99)42(32-91)113-68)30-48(97)87(17-5-2)31-49(98)88(28-44(76)93)19-11-21-90-27-35(82-84-90)13-7-9-15-46(95)80-25-41-55(102)59(106)61(108)71(112-41)118-67-39(75)23-37(73)65(63(67)110)116-69-57(104)51(78)53(100)43(33-92)114-69/h26-27,36-43,50-71,91-92,99-110H,4-25,28-33,72-75,77-78H2,1-3H3,(H2,76,93)(H,79,94)(H,80,95)",QXYLPMXSXXSOEN-UHFFFAOYNA-N,C71H127N19O28,Not Found,1694.9,-14.55432278,23,39,44,8,DM1-RNA-MBNL1,Pentanamide derivative 2 targets RNA that cause myotonic muscular dystrophy. The compound binds to a series of RNAs and for inhibiting the formation of the toxic DM2 RNA-muscleblind protein (MBNL-1) interaction that cause myotonic muscular dystrophy.,19904940,19348464,19552411,,,,"1) Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.","2) Lee MM, Pushechnikov A, Disney MD. Rational and modular design of potent ligands targeting the RNA that causes myotonic dystrophy 2. ACS Chem Biol. 2009 May 15;4(5):345-55. doi: 10.1021/cb900025w. PMID: 19348464; PMCID: PMC2748256.","3) Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,Not Found,No,No,,,,
DBoRL1961,Pentanamide derivative 3,"5-(1-{3-[2-(2-{[({[({[(carbamoylmethyl)[3-(4-{4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]butyl}-1H-1,2,3-triazol-1-yl)propyl]carbamoyl]methyl}(propyl)carbamoyl)methyl](propyl)carbamoyl}methyl)[3-(4-{4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]butyl}-1H-1,2,3-triazol-1-yl)propyl]carbamoyl](propyl)amino}-N-propylacetamido)-N-methylacetamido]propyl}-1H-1,2,3-triazol-4-yl)-N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)pentanamide",CCCN(CC(=O)N(C)CCCn1cc(CCCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)CN(CCC)C(=O)N(CCCn1cc(CCCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCCn1cc(CCCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)CC(N)=O,"InChI=1/C110H195N29O43/c1-6-25-131(45-72(147)130(5)29-16-32-137-41-53(124-127-137)19-10-13-22-69(144)121-38-62-83(155)89(161)92(164)107(171-62)180-101-59(114)35-56(111)98(95(101)167)177-104-86(158)77(118)80(152)65(50-140)174-104)75(150)48-135(28-9-4)110(170)136(31-18-34-139-43-55(126-129-139)21-12-15-24-71(146)123-40-64-85(157)91(163)94(166)109(173-64)182-103-61(116)37-58(113)100(97(103)169)179-106-88(160)79(120)82(154)67(52-142)176-106)49-76(151)133(27-8-3)46-73(148)132(26-7-2)47-74(149)134(44-68(117)143)30-17-33-138-42-54(125-128-138)20-11-14-23-70(145)122-39-63-84(156)90(162)93(165)108(172-63)181-102-60(115)36-57(112)99(96(102)168)178-105-87(159)78(119)81(153)66(51-141)175-105/h41-43,56-67,77-109,140-142,152-169H,6-40,44-52,111-116,118-120H2,1-5H3,(H2,117,143)(H,121,144)(H,122,145)(H,123,146)",CNDWGQAZAZKXDN-UHFFFAOYNA-N,C110H195N29O43,Not Found,2611.93,-21.48286155,34,58,68,12,DM1-RNA-MBNL1,Pentanamide derivative 3 targets RNA that cause myotonic muscular dystrophy. The compound binds to a series of RNAs and for inhibiting the formation of the toxic DM2 RNA-muscleblind protein (MBNL-1) interaction that cause myotonic muscular dystrophy.,19904940,19348464,19552411,,,,"1) Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.","2) Lee MM, Pushechnikov A, Disney MD. Rational and modular design of potent ligands targeting the RNA that causes myotonic dystrophy 2. ACS Chem Biol. 2009 May 15;4(5):345-55. doi: 10.1021/cb900025w. PMID: 19348464; PMCID: PMC2748256.","3) Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,Not Found,No,No,,,,
DBoRL1962,Pentanamide derivative 4,"5-[1-(3-{2-[2-({[2-(2-{[({[({[(carbamoylmethyl)[3-(4-{4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]butyl}-1H-1,2,3-triazol-1-yl)propyl]carbamoyl]methyl}(propyl)carbamoyl)methyl](propyl)carbamoyl}methyl)[3-(4-{4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]butyl}-1H-1,2,3-triazol-1-yl)propyl]carbamoyl](propyl)amino}-N-propylacetamido)-N-[3-(4-{4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]butyl}-1H-1,2,3-triazol-1-yl)propyl]acetamido]carbonyl}(propyl)amino)-N-propylacetamido]-N-methylacetamido}propyl)-1H-1,2,3-triazol-4-yl]-N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)pentanamide",CCCN(CC(=O)N(C)CCCn1cc(CCCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)CN(CCC)C(=O)N(CCCn1cc(CCCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)N(CCCn1cc(CCCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)CC(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCCn1cc(CCCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)CC(N)=O,"InChI=1/C149H263N39O58/c1-8-34-176(61-97(198)175(7)40-22-43-184-56-72(167-171-184)26-14-18-30-93(194)163-52-84-112(209)120(217)124(221)144(231-84)243-136-80(154)48-76(150)132(128(136)225)239-140-116(213)104(159)108(205)88(68-189)235-140)101(202)65-182(39-13-6)149(230)188(47-25-46-187-59-75(170-174-187)29-17-21-33-96(197)166-55-87-115(212)123(220)127(224)147(234-87)246-139-83(157)51-79(153)135(131(139)228)242-143-119(216)107(162)111(208)91(71-192)238-143)103(204)67-179(37-11-4)100(201)64-181(38-12-5)148(229)183(42-24-45-186-58-74(169-173-186)28-16-20-32-95(196)165-54-86-114(211)122(219)126(223)146(233-86)245-138-82(156)50-78(152)134(130(138)227)241-142-118(215)106(161)110(207)90(70-191)237-142)66-102(203)178(36-10-3)62-98(199)177(35-9-2)63-99(200)180(60-92(158)193)41-23-44-185-57-73(168-172-185)27-15-19-31-94(195)164-53-85-113(210)121(218)125(222)145(232-85)244-137-81(155)49-77(151)133(129(137)226)240-141-117(214)105(160)109(206)89(69-190)236-141/h56-59,76-91,104-147,189-192,205-228H,8-55,60-71,150-157,159-162H2,1-7H3,(H2,158,193)(H,163,194)(H,164,195)(H,165,196)(H,166,197)",JWDZQBVUAJBLKW-UHFFFAOYNA-N,C149H263N39O58,Not Found,3528.96,-27.87336242,45,78,92,16,DM1-RNA-MBNL1,Pentanamide derivative 4 targets RNA that cause myotonic muscular dystrophy. The compound binds to a series of RNAs and for inhibiting the formation of the toxic DM2 RNA-muscleblind protein (MBNL-1) interaction that cause myotonic muscular dystrophy.,19904940,19348464,19552411,,,,"1) Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.","2) Lee MM, Pushechnikov A, Disney MD. Rational and modular design of potent ligands targeting the RNA that causes myotonic dystrophy 2. ACS Chem Biol. 2009 May 15;4(5):345-55. doi: 10.1021/cb900025w. PMID: 19348464; PMCID: PMC2748256.","3) Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,Not Found,No,No,,,,
DBoRL1963,Pentanamide derivative 5,"5-(1-{3-[(carbamoylmethyl)({[({2-[2-(2-{[3-(4-{4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]butyl}-1H-1,2,3-triazol-1-yl)propyl](methyl)amino}-N-propylacetamido)-N-propylacetamido]-N-propylacetamido}carbonyl)(propyl)amino]carbonyl})amino]propyl}-1H-1,2,3-triazol-4-yl)-N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)pentanamide",CCCN(CC(=O)N(CCC)CC(=O)N(CCC)C(=O)N(CCC)C(=O)N(CCCn1cc(CCCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)CC(N)=O)C(=O)CN(C)CCCn1cc(CCCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1,"InChI=1/C79H141N21O30/c1-6-20-94(53(106)35-93(5)24-14-26-97-32-40(89-91-97)16-10-12-18-51(104)87-30-46-60(111)64(115)66(117)76(123-46)129-72-44(82)28-42(80)70(68(72)119)127-74-62(113)56(85)58(109)48(38-101)125-74)36-54(107)95(21-7-2)37-55(108)99(22-8-3)79(122)100(23-9-4)78(121)96(34-50(84)103)25-15-27-98-33-41(90-92-98)17-11-13-19-52(105)88-31-47-61(112)65(116)67(118)77(124-47)130-73-45(83)29-43(81)71(69(73)120)128-75-63(114)57(86)59(110)49(39-102)126-75/h32-33,42-49,56-77,101-102,109-120H,6-31,34-39,80-83,85-86H2,1-5H3,(H2,84,103)(H,87,104)(H,88,105)",OIBOIWQHMUQPIY-UHFFFAOYNA-N,C79H141N21O30,Not Found,1865.11,-13.0381844,23,41,48,8,DM1-RNA-MBNL1,Pentanamide derivative 5 derivative targets RNA that cause myotonic muscular dystrophy. The compound binds to a series of RNAs and for inhibiting the formation of the toxic DM2 RNA-muscleblind protein (MBNL-1) interaction that cause myotonic muscular dystrophy.,19904940,19348464,19552411,,,,"1) Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.","2) Lee MM, Pushechnikov A, Disney MD. Rational and modular design of potent ligands targeting the RNA that causes myotonic dystrophy 2. ACS Chem Biol. 2009 May 15;4(5):345-55. doi: 10.1021/cb900025w. PMID: 19348464; PMCID: PMC2748256.","3) Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,Not Found,No,No,,,,
DBoRL1964,Pentanamide derivative 6,"5-(1-{3-[(carbamoylmethyl)({[({2-[2-(2-{[3-(4-{4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]butyl}-1H-1,2,3-triazol-1-yl)propyl]({[(2-{[({[3-(4-{4-[({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)carbamoyl]butyl}-1H-1,2,3-triazol-1-yl)propyl](methyl)carbamoyl}(propyl)amino)carbonyl](propyl)amino}-2-oxoethyl)(propyl)carbamoyl]methyl}(propyl)carbamoyl)amino}-N-propylacetamido)-N-propylacetamido]-N-propylacetamido}carbonyl)(propyl)amino]carbonyl})amino]propyl}-1H-1,2,3-triazol-4-yl)-N-({6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)pentanamide",CCCN(CC(=O)N(CCC)CC(=O)N(CCC)C(=O)N(CCC)C(=O)N(CCCn1cc(CCCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)CC(N)=O)C(=O)CN(CCCn1cc(CCCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1)C(=O)N(CCC)CC(=O)N(CCC)CC(=O)N(CCC)C(=O)N(CCC)C(=O)N(C)CCCn1cc(CCCCC(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(O)C(O)C2O)nn1,"InChI=1/C126H223N33O47/c1-10-33-147(57-84(167)148(34-11-2)60-88(171)157(38-15-6)126(194)159(40-17-8)124(192)151(56-80(133)163)42-25-45-154-54-66(141-144-154)28-19-22-31-82(165)138-51-75-96(176)102(182)105(185)120(196-75)205-114-72(131)48-69(128)111(108(114)188)202-117-99(179)90(135)93(173)78(63-161)199-117)86(169)59-152(43-26-46-155-55-67(142-145-155)29-20-23-32-83(166)139-52-76-97(177)103(183)106(186)121(197-76)206-115-73(132)49-70(129)112(109(115)189)203-118-100(180)91(136)94(174)79(64-162)200-118)123(191)150(36-13-4)58-85(168)149(35-12-3)61-87(170)156(37-14-5)125(193)158(39-16-7)122(190)146(9)41-24-44-153-53-65(140-143-153)27-18-21-30-81(164)137-50-74-95(175)101(181)104(184)119(195-74)204-113-71(130)47-68(127)110(107(113)187)201-116-98(178)89(134)92(172)77(62-160)198-116/h53-55,68-79,89-121,160-162,172-189H,10-52,56-64,127-132,134-136H2,1-9H3,(H2,133,163)(H,137,164)(H,138,165)(H,139,166)",FOLJDFAUJBTXPI-UHFFFAOYNA-N,C126H223N33O47,Not Found,2952.35,-18.4505848,34,62,76,12,DM1-RNA-MBNL1,Pentanamide derivative 6 derivative targets RNA that cause myotonic muscular dystrophy. The compound binds to a series of RNAs and for inhibiting the formation of the toxic DM2 RNA-muscleblind protein (MBNL-1) interaction that cause myotonic muscular dystrophy.,19904940,19348464,19552411,,,,"1) Lee MM, Childs-Disney JL, Pushechnikov A, French JM, Sobczak K, Thornton CA, Disney MD. Controlling the specificity of modularly assembled small molecules for RNA via ligand module spacing: targeting the RNAs that cause myotonic muscular dystrophy. J Am Chem Soc. 2009 Dec 2;131(47):17464-72. doi: 10.1021/ja906877y. PMID: 19904940; PMCID: PMC2801143.","2) Lee MM, Pushechnikov A, Disney MD. Rational and modular design of potent ligands targeting the RNA that causes myotonic dystrophy 2. ACS Chem Biol. 2009 May 15;4(5):345-55. doi: 10.1021/cb900025w. PMID: 19348464; PMCID: PMC2748256.","3) Pushechnikov A, Lee MM, Childs-Disney JL, Sobczak K, French JM, Thornton CA, Disney MD. Rational design of ligands targeting triplet repeating transcripts that cause RNA dominant disease: application to myotonic muscular dystrophy type 1 and spinocerebellar ataxia type 3. J Am Chem Soc. 2009 Jul 22;131(28):9767-79. doi: 10.1021/ja9020149. PMID: 19552411; PMCID: PMC2731475.",,,,https://pubmed.ncbi.nlm.nih.gov/19904940/,https://pubmed.ncbi.nlm.nih.gov/19552411/,,,,,Not Found,No,No,,,,
DBoRL1965,RADEZOLID DERIVATIVE,"N-({4'-[4-(acetamidomethyl)-2-oxoimidazolidin-1-yl]-2'-fluoro-[1,1'-biphenyl]-4-yl}methyl)-3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)prop-2-enamide",CC(=O)NCC1CN(c2ccc(-c3ccc(CNC(=O)C=Cc4c(C)[nH]c(=O)[nH]c4=O)cc3)c(F)c2)C(=O)N1,"InChI=1/C27H27FN6O5/c1-15-21(25(37)33-26(38)31-15)9-10-24(36)30-12-17-3-5-18(6-4-17)22-8-7-20(11-23(22)28)34-14-19(32-27(34)39)13-29-16(2)35/h3-11,19H,12-14H2,1-2H3,(H,29,35)(H,30,36)(H,32,39)(H2,31,33,37,38)",DDNGTGFFGBAXNT-UHFFFAOYNA-N,C27H27FN6O5,Not Found,534.548,0.142197011,5,5,8,4,16S rRNA A SITE,"Radezolid derivative 1 binds on specific RNA subunits (i.e., 16S rRNA A site), results inhibition of protein synthesis in bacterial and eukaryotic system.",21041083,21557427,18663023,,,,"1) Stathakis CI, Mavridis I, Kythreoti G, Papakyriakou A, Katsoulis IA, Cottin T, Anastasopoulou P, Vourloumis D. Second generation analogs of rigid 6,7-spiro scaffolds targeting the bacterial ribosome. Bioorg Med Chem Lett. 2010 Dec 15;20(24):7488-92. doi: 10.1016/j.bmcl.2010.10.001. Epub 2010 Oct 8. PMID: 21041083.","2) Katsoulis IA, Kythreoti G, Papakyriakou A, Koltsida K, Anastasopoulou P, Stathakis CI, Mavridis I, Cottin T, Saridakis E, Vourloumis D. Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site. Chembiochem. 2011 May 16;12(8):1188-92. doi: 10.1002/cbic.201100076. Epub 2011 May 6. PMID: 21557427.","3) Skripkin E, McConnell TS, DeVito J, Lawrence L, Ippolito JA, Duffy EM, Sutcliffe J, Franceschi F. R chi-01, a new family of oxazolidinones that overcome ribosome-based linezolid resistance. Antimicrob Agents Chemother. 2008 Oct;52(10):3550-7. doi: 10.1128/AAC.01193-07. Epub 2008 Jul 28. PMID: 18663023; PMCID: PMC2565890.",,,,https://pubmed.ncbi.nlm.nih.gov/21041083/,https://pubmed.ncbi.nlm.nih.gov/18663023/,,,,,Not Found,No,No,,,,
DBoRL1966,Spiro Compound 1,"9,11-diamino-1-oxaspiro[5.5]undecane-3,4,7,8-tetrol",NC1CC(N)C2(CC(O)C(O)CO2)C(O)C1O,"InChI=1/C10H20N2O5/c11-4-1-7(12)10(9(16)8(4)15)2-5(13)6(14)3-17-10/h4-9,13-16H,1-3,11-12H2",WKLYSPFGRRAVMM-UHFFFAOYNA-N,C10H20N2O5,Not Found,248.279,-4.110818435,6,7,0,2,16S rRNA A SITE,"Spiro compound 1 binds on specific RNA subunits (i.e., 16S rRNA A site), results inhibition of protein synthesis in bacterial and eukaryotic system.",21041083,21557427,18663023,,,,"1) Stathakis CI, Mavridis I, Kythreoti G, Papakyriakou A, Katsoulis IA, Cottin T, Anastasopoulou P, Vourloumis D. Second generation analogs of rigid 6,7-spiro scaffolds targeting the bacterial ribosome. Bioorg Med Chem Lett. 2010 Dec 15;20(24):7488-92. doi: 10.1016/j.bmcl.2010.10.001. Epub 2010 Oct 8. PMID: 21041083.","2) Katsoulis IA, Kythreoti G, Papakyriakou A, Koltsida K, Anastasopoulou P, Stathakis CI, Mavridis I, Cottin T, Saridakis E, Vourloumis D. Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site. Chembiochem. 2011 May 16;12(8):1188-92. doi: 10.1002/cbic.201100076. Epub 2011 May 6. PMID: 21557427.","3) Skripkin E, McConnell TS, DeVito J, Lawrence L, Ippolito JA, Duffy EM, Sutcliffe J, Franceschi F. R chi-01, a new family of oxazolidinones that overcome ribosome-based linezolid resistance. Antimicrob Agents Chemother. 2008 Oct;52(10):3550-7. doi: 10.1128/AAC.01193-07. Epub 2008 Jul 28. PMID: 18663023; PMCID: PMC2565890.",,,,https://pubmed.ncbi.nlm.nih.gov/21041083/,https://pubmed.ncbi.nlm.nih.gov/18663023/,,,,,Not Found,No,No,,,,
DBoRL1967,Spiro Compound 2,"4-amino-N-{11-amino-3,4,7,8-tetrahydroxy-1-oxaspiro[5.5]undecan-9-yl}-2-hydroxybutanamide",NCCC(O)C(=O)NC1CC(N)C2(CC(O)C(O)CO2)C(O)C1O,"InChI=1/C14H27N3O7/c15-2-1-7(18)13(23)17-6-3-10(16)14(12(22)11(6)21)4-8(19)9(20)5-24-14/h6-12,18-22H,1-5,15-16H2,(H,17,23)",MVKCJSRMTUCSOF-UHFFFAOYNA-N,C14H27N3O7,Not Found,349.384,-5.63428766,8,9,4,2,16S rRNA A SITE,"Spiro compound 2 binds on specific RNA subunits (i.e., 16S rRNA A site), results inhibition of protein synthesis in bacterial and eukaryotic system.",21041083,21557427,18663023,,,,"1) Stathakis CI, Mavridis I, Kythreoti G, Papakyriakou A, Katsoulis IA, Cottin T, Anastasopoulou P, Vourloumis D. Second generation analogs of rigid 6,7-spiro scaffolds targeting the bacterial ribosome. Bioorg Med Chem Lett. 2010 Dec 15;20(24):7488-92. doi: 10.1016/j.bmcl.2010.10.001. Epub 2010 Oct 8. PMID: 21041083.","2) Katsoulis IA, Kythreoti G, Papakyriakou A, Koltsida K, Anastasopoulou P, Stathakis CI, Mavridis I, Cottin T, Saridakis E, Vourloumis D. Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site. Chembiochem. 2011 May 16;12(8):1188-92. doi: 10.1002/cbic.201100076. Epub 2011 May 6. PMID: 21557427.","3) Skripkin E, McConnell TS, DeVito J, Lawrence L, Ippolito JA, Duffy EM, Sutcliffe J, Franceschi F. R chi-01, a new family of oxazolidinones that overcome ribosome-based linezolid resistance. Antimicrob Agents Chemother. 2008 Oct;52(10):3550-7. doi: 10.1128/AAC.01193-07. Epub 2008 Jul 28. PMID: 18663023; PMCID: PMC2565890.",,,,https://pubmed.ncbi.nlm.nih.gov/21041083/,https://pubmed.ncbi.nlm.nih.gov/18663023/,,,,,Not Found,No,No,,,,
DBoRL1968,Spiro Compound 3,"2,6-diamino-N-{11-amino-3,4,7,8-tetrahydroxy-1-oxaspiro[5.5]undecan-9-yl}hexanamide",NCCCCC(N)C(=O)NC1CC(N)C2(CC(O)C(O)CO2)C(O)C1O,"InChI=1/C16H32N4O6/c17-4-2-1-3-8(18)15(25)20-9-5-12(19)16(14(24)13(9)23)6-10(21)11(22)7-26-16/h8-14,21-24H,1-7,17-19H2,(H,20,25)",QNIAMYKFCBYJEL-UHFFFAOYNA-N,C16H32N4O6,Not Found,376.454,-4.779238121,8,9,6,2,16S rRNA A SITE,"Spiro compound 3 binds on specific RNA subunits (i.e., 16S rRNA A site), results inhibition of protein synthesis in bacterial and eukaryotic system.",21041083,21557427,18663023,,,,"1) Stathakis CI, Mavridis I, Kythreoti G, Papakyriakou A, Katsoulis IA, Cottin T, Anastasopoulou P, Vourloumis D. Second generation analogs of rigid 6,7-spiro scaffolds targeting the bacterial ribosome. Bioorg Med Chem Lett. 2010 Dec 15;20(24):7488-92. doi: 10.1016/j.bmcl.2010.10.001. Epub 2010 Oct 8. PMID: 21041083.","2) Katsoulis IA, Kythreoti G, Papakyriakou A, Koltsida K, Anastasopoulou P, Stathakis CI, Mavridis I, Cottin T, Saridakis E, Vourloumis D. Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site. Chembiochem. 2011 May 16;12(8):1188-92. doi: 10.1002/cbic.201100076. Epub 2011 May 6. PMID: 21557427.","3) Skripkin E, McConnell TS, DeVito J, Lawrence L, Ippolito JA, Duffy EM, Sutcliffe J, Franceschi F. R chi-01, a new family of oxazolidinones that overcome ribosome-based linezolid resistance. Antimicrob Agents Chemother. 2008 Oct;52(10):3550-7. doi: 10.1128/AAC.01193-07. Epub 2008 Jul 28. PMID: 18663023; PMCID: PMC2565890.",,,,https://pubmed.ncbi.nlm.nih.gov/21041083/,https://pubmed.ncbi.nlm.nih.gov/18663023/,,,,,Not Found,No,No,,,,
DBoRL1969,Spiro ether Compound 1,"8,10-diamino-2-{[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]methyl}-1-oxaspiro[4.5]decane-6,7-diol",NC1CC(N)C2(CCC(Cn3cc(CO)nn3)O2)C(O)C1O,"InChI=1/C13H23N5O4/c14-9-3-10(15)13(12(21)11(9)20)2-1-8(22-13)5-18-4-7(6-19)16-17-18/h4,8-12,19-21H,1-3,5-6,14-15H2",HQAKQEZWUDJLAB-UHFFFAOYNA-N,C13H23N5O4,Not Found,313.358,-3.110191598,5,8,3,3,16S rRNA A SITE,"Spiro ether compound 1 binds on specific RNA subunits (i.e., 16S rRNA A site), results inhibition of protein synthesis in bacterial and eukaryotic system.",21041083,21557427,18663023,,,,"1) Stathakis CI, Mavridis I, Kythreoti G, Papakyriakou A, Katsoulis IA, Cottin T, Anastasopoulou P, Vourloumis D. Second generation analogs of rigid 6,7-spiro scaffolds targeting the bacterial ribosome. Bioorg Med Chem Lett. 2010 Dec 15;20(24):7488-92. doi: 10.1016/j.bmcl.2010.10.001. Epub 2010 Oct 8. PMID: 21041083.","2) Katsoulis IA, Kythreoti G, Papakyriakou A, Koltsida K, Anastasopoulou P, Stathakis CI, Mavridis I, Cottin T, Saridakis E, Vourloumis D. Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site. Chembiochem. 2011 May 16;12(8):1188-92. doi: 10.1002/cbic.201100076. Epub 2011 May 6. PMID: 21557427.","3) Skripkin E, McConnell TS, DeVito J, Lawrence L, Ippolito JA, Duffy EM, Sutcliffe J, Franceschi F. R chi-01, a new family of oxazolidinones that overcome ribosome-based linezolid resistance. Antimicrob Agents Chemother. 2008 Oct;52(10):3550-7. doi: 10.1128/AAC.01193-07. Epub 2008 Jul 28. PMID: 18663023; PMCID: PMC2565890.",,,,https://pubmed.ncbi.nlm.nih.gov/21041083/,https://pubmed.ncbi.nlm.nih.gov/18663023/,,,,,Not Found,No,No,,,,
DBoRL1970,Spiro ether Compound 2,"8,10-diamino-2-({4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}methyl)-1-oxaspiro[4.5]decane-6,7-diol",NC1CC(N)C2(CCC(Cn3cc(COCc4ccccc4)nn3)O2)C(O)C1O,"InChI=1/C20H29N5O4/c21-16-8-17(22)20(19(27)18(16)26)7-6-15(29-20)10-25-9-14(23-24-25)12-28-11-13-4-2-1-3-5-13/h1-5,9,15-19,26-27H,6-8,10-12,21-22H2",CPFRWBQZTZYIEZ-UHFFFAOYNA-N,C20H29N5O4,Not Found,403.483,-0.742591977,4,8,6,4,16S rRNA A SITE,"Spiro ether compound 1 binds on specific RNA subunits (i.e., 16S rRNA A site), results inhibition of protein synthesis in bacterial and eukaryotic system.",21041083,21557427,18663023,,,,"1) Stathakis CI, Mavridis I, Kythreoti G, Papakyriakou A, Katsoulis IA, Cottin T, Anastasopoulou P, Vourloumis D. Second generation analogs of rigid 6,7-spiro scaffolds targeting the bacterial ribosome. Bioorg Med Chem Lett. 2010 Dec 15;20(24):7488-92. doi: 10.1016/j.bmcl.2010.10.001. Epub 2010 Oct 8. PMID: 21041083.","2) Katsoulis IA, Kythreoti G, Papakyriakou A, Koltsida K, Anastasopoulou P, Stathakis CI, Mavridis I, Cottin T, Saridakis E, Vourloumis D. Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site. Chembiochem. 2011 May 16;12(8):1188-92. doi: 10.1002/cbic.201100076. Epub 2011 May 6. PMID: 21557427.","3) Skripkin E, McConnell TS, DeVito J, Lawrence L, Ippolito JA, Duffy EM, Sutcliffe J, Franceschi F. R chi-01, a new family of oxazolidinones that overcome ribosome-based linezolid resistance. Antimicrob Agents Chemother. 2008 Oct;52(10):3550-7. doi: 10.1128/AAC.01193-07. Epub 2008 Jul 28. PMID: 18663023; PMCID: PMC2565890.",,,,https://pubmed.ncbi.nlm.nih.gov/21041083/,https://pubmed.ncbi.nlm.nih.gov/18663023/,,,,,Not Found,No,No,,,,
DBoRL1971,Triazole linked neomycin dimer 1 ,"5-amino-6-{[2-({4-[({1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]-1H-1,2,3-triazol-4-yl}methoxy)methyl]-1H-1,2,3-triazol-1-yl}methyl)-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl]oxy}-2-(aminomethyl)oxane-3,4-diol",NCC1OC(OC2C(Cn3cc(COCc4cn(CC5OC(OC6C(O)C(N)CC(N)C6OC6OC(CN)C(O)C(O)C6N)C(O)C5OC5OC(CN)C(O)C(O)C5N)nn4)nn3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C52H96N18O25/c53-3-19-31(73)35(77)25(61)47(84-19)90-41-17(59)1-15(57)29(71)45(41)94-51-39(81)43(92-49-27(63)37(79)33(75)21(5-55)86-49)23(88-51)9-69-7-13(65-67-69)11-83-12-14-8-70(68-66-14)10-24-44(93-50-28(64)38(80)34(76)22(6-56)87-50)40(82)52(89-24)95-46-30(72)16(58)2-18(60)42(46)91-48-26(62)36(78)32(74)20(4-54)85-48/h7-8,15-52,71-82H,1-6,9-12,53-64H2",UAHOAKKLZOECED-UHFFFAOYNA-N,C52H96N18O25,Not Found,1373.44,-15.96279347,24,41,24,10,HIV-1 TAR RNA,"Triazole linked neomycin dimer 1 targets trans-activation responsive (TAR) RNA region of HIV virus. TAR RNA region, a 59 base pair stem loop structure located at 5?-end of all nascent HIV-1 transcripts interacts with a key regulatory protein, Tat, and necessitates the replication of HIV-1 virus. UV thermal denaturation studies demonstrate that neomycin dimer binding increase the melting temperature (Tm) of the HIV TAR RNA up to 10 ?C. Due to binding of triazole linked neomycin dimer 1 with HIV-1 TAR RNA, Tat protein unable to interact with HIV-1 TAR RNA, results inhibition of replication and proliferation of HIV-1.",21757341,19584251,20724442,,,,"1) Kumar S, Arya DP. Recognition of HIV TAR RNA by triazole linked neomycin dimers. Bioorg Med Chem Lett. 2011 Aug 15;21(16):4788-92. doi: 10.1016/j.bmcl.2011.06.058. Epub 2011 Jun 21. Erratum in: Bioorg Med Chem Lett. 2012 Feb 15;22(4):1827-9. PMID: 21757341; PMCID: PMC3673547.","2) Davidson A, Leeper TC, Athanassiou Z, Patora-Komisarska K, Karn J, Robinson JA, Varani G. Simultaneous recognition of HIV-1 TAR RNA bulge and loop sequences by cyclic peptide mimics of Tat protein. Proc Natl Acad Sci U S A. 2009 Jul 21;106(29):11931-6. doi: 10.1073/pnas.0900629106. Epub 2009 Jul 7. PMID: 19584251; PMCID: PMC2715490.","3) Davidson A, Patora-Komisarska K, Robinson JA, Varani G. Essential structural requirements for specific recognition of HIV TAR RNA by peptide mimetics of Tat protein. Nucleic Acids Res. 2011 Jan;39(1):248-56. doi: 10.1093/nar/gkq713. Epub 2010 Aug 19. PMID: 20724442; PMCID: PMC3017588.",,,,https://pubmed.ncbi.nlm.nih.gov/21757341/,https://pubmed.ncbi.nlm.nih.gov/19584251/,,,,,Not Found,No,No,,,,
DBoRL1972,Triazole linked neomycin dimer 2,"5-amino-6-({2-[(4-{[3-({1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]-1H-1,2,3-triazol-4-yl}methyl)phenyl]methyl}-1H-1,2,3-triazol-1-yl)methyl]-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl}oxy)-2-(aminomethyl)oxane-3,4-diol",NCC1OC(OC2C(Cn3cc(Cc4cccc(Cc5cn(CC6OC(OC7C(O)C(N)CC(N)C7OC7OC(CN)C(O)C(O)C7N)C(O)C6OC6OC(CN)C(O)C(O)C6N)nn5)c4)nn3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C58H100N18O24/c59-9-25-37(79)41(83)31(67)53(89-25)95-47-23(65)7-21(63)35(77)51(47)99-57-45(87)49(97-55-33(69)43(85)39(81)27(11-61)91-55)29(93-57)15-75-13-19(71-73-75)5-17-2-1-3-18(4-17)6-20-14-76(74-72-20)16-30-50(98-56-34(70)44(86)40(82)28(12-62)92-56)46(88)58(94-30)100-52-36(78)22(64)8-24(66)48(52)96-54-32(68)42(84)38(80)26(10-60)90-54/h1-4,13-14,21-58,77-88H,5-12,15-16,59-70H2",XAGYHVHOJLJSQY-UHFFFAOYNA-N,C58H100N18O24,Not Found,1433.54,-13.79456713,24,40,24,11,HIV-1 TAR RNA,"Triazole linked neomycin dimer 2 targets trans-activation responsive (TAR) RNA region of HIV virus. TAR RNA region, a 59 base pair stem loop structure located at 5?-end of all nascent HIV-1 transcripts interacts with a key regulatory protein, Tat, and necessitates the replication of HIV-1 virus. UV thermal denaturation studies demonstrate that neomycin dimer binding increase the melting temperature (Tm) of the HIV TAR RNA up to 10 ?C. Due to binding of triazole linked neomycin dimer 2 with HIV-1 TAR RNA, Tat protein unable to interact with HIV-1 TAR RNA, results inhibition of replication and proliferation of HIV-1.",21757341,19584251,20724442,,,,"1) Kumar S, Arya DP. Recognition of HIV TAR RNA by triazole linked neomycin dimers. Bioorg Med Chem Lett. 2011 Aug 15;21(16):4788-92. doi: 10.1016/j.bmcl.2011.06.058. Epub 2011 Jun 21. Erratum in: Bioorg Med Chem Lett. 2012 Feb 15;22(4):1827-9. PMID: 21757341; PMCID: PMC3673547.","2) Davidson A, Leeper TC, Athanassiou Z, Patora-Komisarska K, Karn J, Robinson JA, Varani G. Simultaneous recognition of HIV-1 TAR RNA bulge and loop sequences by cyclic peptide mimics of Tat protein. Proc Natl Acad Sci U S A. 2009 Jul 21;106(29):11931-6. doi: 10.1073/pnas.0900629106. Epub 2009 Jul 7. PMID: 19584251; PMCID: PMC2715490.","3) Davidson A, Patora-Komisarska K, Robinson JA, Varani G. Essential structural requirements for specific recognition of HIV TAR RNA by peptide mimetics of Tat protein. Nucleic Acids Res. 2011 Jan;39(1):248-56. doi: 10.1093/nar/gkq713. Epub 2010 Aug 19. PMID: 20724442; PMCID: PMC3017588.",,,,https://pubmed.ncbi.nlm.nih.gov/21757341/,https://pubmed.ncbi.nlm.nih.gov/19584251/,,,,,Not Found,No,No,,,,
DBoRL1973,Triazole linked neomycin dimer 3,"5-amino-6-[(2-{[4-(4-{1-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl]-1H-1,2,3-triazol-4-yl}butyl)-1H-1,2,3-triazol-1-yl]methyl}-5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-3-yl)oxy]-2-(aminomethyl)oxane-3,4-diol",NCC1OC(OC2C(Cn3cc(CCCCc4cn(CC5OC(OC6C(O)C(N)CC(N)C6OC6OC(CN)C(O)C(O)C6N)C(O)C5OC5OC(CN)C(O)C(O)C5N)nn4)nn3)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C54H100N18O24/c55-7-21-33(75)37(79)27(63)49(85-21)91-43-19(61)5-17(59)31(73)47(43)95-53-41(83)45(93-51-29(65)39(81)35(77)23(9-57)87-51)25(89-53)13-71-11-15(67-69-71)3-1-2-4-16-12-72(70-68-16)14-26-46(94-52-30(66)40(82)36(78)24(10-58)88-52)42(84)54(90-26)96-48-32(74)18(60)6-20(62)44(48)92-50-28(64)38(80)34(76)22(8-56)86-50/h11-12,17-54,73-84H,1-10,13-14,55-66H2",YZBQWUOPIQJXIA-UHFFFAOYNA-N,C54H100N18O24,Not Found,1385.5,-14.55265516,24,40,25,10,HIV-1 TAR RNA,"Triazole linked neomycin dimer 3 targets trans-activation responsive (TAR) RNA region of HIV virus. TAR RNA region, a 59 base pair stem loop structure located at 5?-end of all nascent HIV-1 transcripts interacts with a key regulatory protein, Tat, and necessitates the replication of HIV-1 virus. UV thermal denaturation studies demonstrate that neomycin dimer binding increase the melting temperature (Tm) of the HIV TAR RNA up to 10 ?C. Due to binding of triazole linked neomycin dimer 3 with HIV-1 TAR RNA, Tat protein unable to interact with HIV-1 TAR RNA, results inhibition of replication and proliferation of HIV-1.",21757341,19584251,20724442,,,,"1) Kumar S, Arya DP. Recognition of HIV TAR RNA by triazole linked neomycin dimers. Bioorg Med Chem Lett. 2011 Aug 15;21(16):4788-92. doi: 10.1016/j.bmcl.2011.06.058. Epub 2011 Jun 21. Erratum in: Bioorg Med Chem Lett. 2012 Feb 15;22(4):1827-9. PMID: 21757341; PMCID: PMC3673547.","2) Davidson A, Leeper TC, Athanassiou Z, Patora-Komisarska K, Karn J, Robinson JA, Varani G. Simultaneous recognition of HIV-1 TAR RNA bulge and loop sequences by cyclic peptide mimics of Tat protein. Proc Natl Acad Sci U S A. 2009 Jul 21;106(29):11931-6. doi: 10.1073/pnas.0900629106. Epub 2009 Jul 7. PMID: 19584251; PMCID: PMC2715490.","3) Davidson A, Patora-Komisarska K, Robinson JA, Varani G. Essential structural requirements for specific recognition of HIV TAR RNA by peptide mimetics of Tat protein. Nucleic Acids Res. 2011 Jan;39(1):248-56. doi: 10.1093/nar/gkq713. Epub 2010 Aug 19. PMID: 20724442; PMCID: PMC3017588.",,,,https://pubmed.ncbi.nlm.nih.gov/21757341/,https://pubmed.ncbi.nlm.nih.gov/19584251/,,,,,Not Found,No,No,,,,
DBoRL1974,Berenil,4-[3-(4-carbamimidoylphenyl)triaz-1-en-1-yl]benzene-1-carboximidamide,N=C(N)c1ccc(N=NNc2ccc(C(=N)N)cc2)cc1,"InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)",XNYZHCFCZNMTFY-UHFFFAOYSA-N,C14H15N7,"536-71-0,1443105-71-2",281.323,1.762952097,5,7,5,2,Poly(rA).2poly(rU) RNA triplex/TAR,"Berenil bind to DNA as well as RNA triplexes. But here only the berenil interaction with RNA described. Berenil binds to the poly(rA).2poly(rU) RNA triplex without displacing the major groove-bound third strands. Both berenil bound triplexes melt via two distinct transitions: initial conversion of the triplex to the duplex state, with the berenil remaining bound, followed by denaturation of the duplex to its component single strands. The effect of berenil binding on the thermal stability of the RNA triplex to duplex equilibrium also depends on the [base triplet]/[total berenil] ratio, having a weakly destabilizing effect on this equilibrium at [base triplet]/[total berenil] ratios ?5, while thermally stabilizing this equilibrium at [base triplet]/[total berenil] ratios.",8519768,8628678,,,,,"1) Pilch DS, Kirolos MA, Breslauer KJ. Berenil binding to higher ordered nucleic acid structures: complexation with a DNA and RNA triple helix. Biochemistry 34(49), 16107?16124 (1995).","2) Bailly C, Colson P, Houssier C, Hamy F. The binding mode of drugs to the tar RNA of HIV-1 studied by electric linear dichroism. Nucleic Acids Res. 24(8), 1460?1464 (1996).",,,,,https://pubmed.ncbi.nlm.nih.gov/8519768/,https://pubmed.ncbi.nlm.nih.gov/8628678/,,,,,2354,Yes,No,Experimental,DB03608,https://go.drugbank.com/drugs/DB03608,
DBoRL1975,CMC4_Hoechst33258,"4-{6-[2-(4-hydroxyphenyl)-1H-1,3-benzodiazol-5-yl]-1H-1,3-benzodiazol-2-yl}phenol",OC1=CC=C(C=C1)C1=NC2=C(N1)C=C(C=C2)C1=CC2=C(NC(=N2)C2=CC=C(O)C=C2)C=C1,"InChI=1S/C26H18N4O2/c31-19-7-1-15(2-8-19)25-27-21-11-5-17(13-23(21)29-25)18-6-12-22-24(14-18)30-26(28-22)16-3-9-20(32)10-4-16/h1-14,31-32H,(H,27,29)(H,28,30)",LUIYJLIHLJLIPT-UHFFFAOYSA-N,C26H18N4O2,137961-52-5,418.456,5.635397399,4,4,3,6,Yeast tRNA,CMC3-1_Hoechst33258 binds with tRNA and interfere with decoding process of protein translation in yeast.,8628678,24163098,,,,,"1) Christian Bailly, Pierre Colson, Claude Houssier, Fran?ois Hamy, The Binding Mode of Drugs to the TAR RNA of HIV-1 Studied by Electric Linear Dichroism, Nucleic Acids Research, Volume 24, Issue 8, 1 April 1996, Pages 1460?1464","2) Mehta A, Sonam S, Gouri I, Loharch S, Sharma DK, Parkesh R. SMMRNA: a database of small molecule modulators of RNA. Nucleic Acids Res. 2014 Jan;42(Database issue):D132-41. doi: 10.1093/nar/gkt976. Epub 2013 Oct 24. PMID: 24163098; PMCID: PMC3965028.",,,,,https://pubmed.ncbi.nlm.nih.gov/8628678/,https://pubmed.ncbi.nlm.nih.gov/24163098/,,,,,449494,No,No,,,,
DBoRL1976,CMC3_Hoechst33258,"4-{5-[5-(4-methylpiperazin-1-yl)-1,3-benzodiazol-2-yl]-1,3-benzodiazol-2-yl}phenol",CN1CCN(CC1)c1ccc2nc(nc2c1)-c1ccc2nc(nc2c1)-c1ccc(O)cc1,Unable to Compute,Unable to Compute,C25H22N6O,Not Found,422.492,5.286301099,1,7,3,6,HIV-1 TAR,"The compound bind strongly to the minor groove of AT-rich sequences can also interact with GC-rich sequences in TAR RNA. Hence, HIV-1 TAR RNA become unable to bind with viral protein Tat.",8628678,24163098,,,,,"1) Christian Bailly, Pierre Colson, Claude Houssier, Fran?ois Hamy, The Binding Mode of Drugs to the TAR RNA of HIV-1 Studied by Electric Linear Dichroism, Nucleic Acids Research, Volume 24, Issue 8, 1 April 1996, Pages 1460?1464","2) Mehta A, Sonam S, Gouri I, Loharch S, Sharma DK, Parkesh R. SMMRNA: a database of small molecule modulators of RNA. Nucleic Acids Res. 2014 Jan;42(Database issue):D132-41. doi: 10.1093/nar/gkt976. Epub 2013 Oct 24. PMID: 24163098; PMCID: PMC3965028.",,,,,https://pubmed.ncbi.nlm.nih.gov/8628678/,https://pubmed.ncbi.nlm.nih.gov/24163098/,,,,,2392,No,No,,,,
DBoRL1977,CMC3-2_Hoechst33258,"5-{6-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}benzene-1,2,3-triol",CN1CCN(CC1)C1=CC2=C(C=C1)N=C(N2)C1=CC2=C(C=C1)N=C(N2)C1=CC(O)=C(O)C(O)=C1,"InChI=1S/C25H24N6O3/c1-30-6-8-31(9-7-30)16-3-5-18-20(13-16)29-24(26-18)14-2-4-17-19(10-14)28-25(27-17)15-11-21(32)23(34)22(33)12-15/h2-5,10-13,32-34H,6-9H2,1H3,(H,26,29)(H,27,28)",DDJRVJOBKAPVHX-UHFFFAOYSA-N,C25H24N6O3,Not Found,456.506,3.294976306,5,7,3,6,HIV-1 TAR,"The compound bind strongly to the minor groove of AT-rich sequences can also interact with GC-rich sequences in TAR RNA. Hence, HIV-1 TAR RNA become unable to bind with viral protein Tat.",8628678,24163098,,,,,"1) Christian Bailly, Pierre Colson, Claude Houssier, Fran?ois Hamy, The Binding Mode of Drugs to the TAR RNA of HIV-1 Studied by Electric Linear Dichroism, Nucleic Acids Research, Volume 24, Issue 8, 1 April 1996, Pages 1460?1464","2) Mehta A, Sonam S, Gouri I, Loharch S, Sharma DK, Parkesh R. SMMRNA: a database of small molecule modulators of RNA. Nucleic Acids Res. 2014 Jan;42(Database issue):D132-41. doi: 10.1093/nar/gkt976. Epub 2013 Oct 24. PMID: 24163098; PMCID: PMC3965028.",,,,,https://pubmed.ncbi.nlm.nih.gov/8628678/,https://pubmed.ncbi.nlm.nih.gov/24163098/,,,,,135507274,No,No,,,,
DBoRL1978,CMC3-1_Hoechst33258,"2-(3,4-dimethoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)-1,3-benzodiazol-2-yl]-1,3-benzodiazole",COc1ccc(cc1OC)-c1nc2ccc(cc2n1)-c1nc2ccc(cc2n1)N1CCN(C)CC1,Unable to Compute,Unable to Compute,C27H26N6O2,Not Found,466.545,5.359557033,0,8,5,6,tRNA,Transfer ribonucleic acid (tRNA) is a type of RNA molecule that helps decode a messenger RNA (mRNA) sequence into a protein. CMC3-1_Hoechst33258 binds with tRNA and interfere with decoding process of protein translation.,8628678,24163098,,,,,"1) Christian Bailly, Pierre Colson, Claude Houssier, Fran?ois Hamy, The Binding Mode of Drugs to the TAR RNA of HIV-1 Studied by Electric Linear Dichroism, Nucleic Acids Research, Volume 24, Issue 8, 1 April 1996, Pages 1460?1464","2) Mehta A, Sonam S, Gouri I, Loharch S, Sharma DK, Parkesh R. SMMRNA: a database of small molecule modulators of RNA. Nucleic Acids Res. 2014 Jan;42(Database issue):D132-41. doi: 10.1093/nar/gkt976. Epub 2013 Oct 24. PMID: 24163098; PMCID: PMC3965028.",,,,,https://pubmed.ncbi.nlm.nih.gov/8628678/,https://pubmed.ncbi.nlm.nih.gov/24163098/,,,,,10174012,No,No,,,,
DBoRL1979,Enacyloxin Iia,"3-{[19-(carbamoyloxy)-11,18-dichloro-13,14,17-trihydroxy-6,12-dimethyl-15-oxotricosa-2,4,6,8,10,20-hexaenoyl]oxy}-4-hydroxycyclohexane-1-carboxylic acid",CCC=CC(OC(N)=O)C(Cl)C(O)CC(=O)C(O)C(O)C(C)C(Cl)=CC=CC=C(C)C=CC=CC(=O)OC1CC(C(=O)O)CCC1O,"InChI=1/C33H45Cl2NO11/c1-4-5-13-26(47-33(36)45)29(35)24(38)18-25(39)31(42)30(41)20(3)22(34)12-8-6-10-19(2)11-7-9-14-28(40)46-27-17-21(32(43)44)15-16-23(27)37/h5-14,20-21,23-24,26-27,29-31,37-38,41-42H,4,15-18H2,1-3H3,(H2,36,45)(H,43,44)",IWBADCVFZDCUTN-UHFFFAOYNA-N,C33H45Cl2NO11,Not Found,702.62,3.726137589,6,9,20,1,EF-Tu tRNA-ENACYLOXIN,"Enacyloxin IIa, an inhibitor of protein biosynthesis that acts on elongation factor Tu and the ribosome. Enacyloxin IIa affects both EF-Tu and the ribosomal A-site directly, inducing an anomalous positioning of aa-tRNA, that inhibits the incorporation of the amino acid into the polypeptide chain.",8665868,16257965,,,,,"1) Cetin R, Krab IM, Anborgh PH, Cool RH, Watanabe T, Sugiyama T, Izaki K, Parmeggiani A. Enacyloxin IIa, an inhibitor of protein biosynthesis that acts on elongation factor Tu and the ribosome. EMBO J. 1996 May 15;15(10):2604-11. PMID: 8665868; PMCID: PMC450193.","2) Parmeggiani A, Krab IM, Watanabe T, Nielsen RC, Dahlberg C, Nyborg J, Nissen P. Enacyloxin IIa pinpoints a binding pocket of elongation factor Tu for development of novel antibiotics. J Biol Chem. 2006 Feb 3;281(5):2893-900. doi: 10.1074/jbc.M505951200. Epub 2005 Oct 28. PMID: 16257965.",,,,,https://pubmed.ncbi.nlm.nih.gov/8665868/,https://pubmed.ncbi.nlm.nih.gov/16257965/,,,,,73717684,No,No,,,,
DBoRL1980,Demeclocycline,"7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide",CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4C(O)C3CC12,"InChI=1/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-27,30,32H,5H2,1-2H3,(H2,23,31)",GUXHBMASAHGULD-UHFFFAOYNA-N,C21H21ClN2O8,Not Found,464.86,-3.518189481,6,9,2,4,30S ribosomal subunit,Protein biosynthesis on the ribosome requires accurate reading of the genetic code in mRNA. Demeclocycline inhibits aminoacyl tRNA synthetases activity. For this ribosome (30S) unable to get the accurate reading of the genetic code in mRNA. This event interfere/misleading the translation process. ,9837850,12853578,,,,,"1) Schimmel P, Tao J, Hill J. Aminoacyl tRNA synthetases as targets for new anti-infectives. FASEB J. 1998 Dec;12(15):1599-609. PMID: 9837850.","2) Vila-Sanjurjo A, Ridgeway WK, Seymaner V, Zhang W, Santoso S, Yu K, Cate JH. X-ray crystal structures of the WT and a hyper-accurate ribosome from Escherichia coli. Proc Natl Acad Sci U S A. 2003 Jul 22;100(15):8682-7. doi: 10.1073/pnas.1133380100. Epub 2003 Jul 9. PMID: 12853578; PMCID: PMC166372.",,,,,https://pubmed.ncbi.nlm.nih.gov/9837850/,https://pubmed.ncbi.nlm.nih.gov/12853578/,,,,,54680103,Yes,Yes,,DB00618,https://go.drugbank.com/drugs/DB00618,This is the isomeric form of the drug approved by USFDA.
DBoRL1981,Dmg-dmdot,"4-(dimethylamino)-9-[2-(dimethylamino)acetamido]-1,10,11,12a-tetrahydroxy-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide",CN(C)CC(=O)Nc1ccc2c(c1O)C(O)=C1C(=O)C3(O)C(O)=C(C(N)=O)C(=O)C(N(C)C)C3CC1C2,"InChI=1/C25H30N4O8/c1-28(2)9-14(30)27-13-6-5-10-7-11-8-12-18(29(3)4)21(33)17(24(26)36)23(35)25(12,37)22(34)16(11)20(32)15(10)19(13)31/h5-6,11-12,18,31-32,35,37H,7-9H2,1-4H3,(H2,26,36)(H,27,30)",BRQYIHCOFGHHNC-UHFFFAOYNA-N,C25H30N4O8,Not Found,514.535,-4.775283862,6,10,5,4,30S ribosomal subunit,Protein biosynthesis on the ribosome requires accurate reading of the genetic code in mRNA. Dmg-dmdot inhibits aminoacyl tRNA synthetases activity. For this ribosome (30S) unable to get the accurate reading of the genetic code in mRNA. This event interfere/misleading the translation process. ,9837850,12853578,,,,,"1) Schimmel P, Tao J, Hill J. Aminoacyl tRNA synthetases as targets for new anti-infectives. FASEB J. 1998 Dec;12(15):1599-609. PMID: 9837850.","2) Vila-Sanjurjo A, Ridgeway WK, Seymaner V, Zhang W, Santoso S, Yu K, Cate JH. X-ray crystal structures of the WT and a hyper-accurate ribosome from Escherichia coli. Proc Natl Acad Sci U S A. 2003 Jul 22;100(15):8682-7. doi: 10.1073/pnas.1133380100. Epub 2003 Jul 9. PMID: 12853578; PMCID: PMC166372.",,,,,https://pubmed.ncbi.nlm.nih.gov/9837850/,https://pubmed.ncbi.nlm.nih.gov/12853578/,,,,,54682182,No,No,,,,
DBoRL1982,Dmg-mino,"4,7-bis(dimethylamino)-9-[2-(dimethylamino)acetamido]-1,10,11,12a-tetrahydroxy-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide",CN(C)CC(=O)Nc1cc(N(C)C)c2c(c1O)C(O)=C1C(=O)C3(O)C(O)=C(C(N)=O)C(=O)C(N(C)C)C3CC1C2,"InChI=1/C27H35N5O8/c1-30(2)10-16(33)29-14-9-15(31(3)4)12-7-11-8-13-20(32(5)6)23(36)19(26(28)39)25(38)27(13,40)24(37)17(11)22(35)18(12)21(14)34/h9,11,13,20,34-35,38,40H,7-8,10H2,1-6H3,(H2,28,39)(H,29,33)",HZACOPMRVHUEFI-UHFFFAOYNA-N,C27H35N5O8,Not Found,557.604,-4.665110882,6,11,6,4,30S ribosomal subunit,Protein biosynthesis on the ribosome requires accurate reading of the genetic code in mRNA. Dmg-mino inhibits aminoacyl tRNA synthetases activity. For this ribosome (30S) unable to get the accurate reading of the genetic code in mRNA. This event interfere/misleading the translation process. ,9837850,12853578,,,,,"1) Schimmel P, Tao J, Hill J. Aminoacyl tRNA synthetases as targets for new anti-infectives. FASEB J. 1998 Dec;12(15):1599-609. PMID: 9837850.","2) Vila-Sanjurjo A, Ridgeway WK, Seymaner V, Zhang W, Santoso S, Yu K, Cate JH. X-ray crystal structures of the WT and a hyper-accurate ribosome from Escherichia coli. Proc Natl Acad Sci U S A. 2003 Jul 22;100(15):8682-7. doi: 10.1073/pnas.1133380100. Epub 2003 Jul 9. PMID: 12853578; PMCID: PMC166372.",,,,,https://pubmed.ncbi.nlm.nih.gov/9837850/,https://pubmed.ncbi.nlm.nih.gov/12853578/,,,,,54716692,No,No,,,,
DBoRL1983,Methacycline,"4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide",C=C1c2cccc(O)c2C(O)=C2C(=O)C3(O)C(O)=C(C(N)=O)C(=O)C(N(C)C)C3C(O)C12,"InChI=1/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-6,10,14-15,17,25-27,30,32H,1H2,2-3H3,(H2,23,31)",XIYOPDCBBDCGOE-UHFFFAOYNA-N,C22H22N2O8,Not Found,442.424,-3.876842605,6,9,2,4,30S ribosomal subunit,Protein biosynthesis on the ribosome requires accurate reading of the genetic code in mRNA. Methacycline inhibits aminoacyl tRNA synthetases activity. For this ribosome (30S) unable to get the accurate reading of the genetic code in mRNA. This event interfere/misleading the translation process. ,9837850,12853578,,,,,"1) Schimmel P, Tao J, Hill J. Aminoacyl tRNA synthetases as targets for new anti-infectives. FASEB J. 1998 Dec;12(15):1599-609. PMID: 9837850.","2) Vila-Sanjurjo A, Ridgeway WK, Seymaner V, Zhang W, Santoso S, Yu K, Cate JH. X-ray crystal structures of the WT and a hyper-accurate ribosome from Escherichia coli. Proc Natl Acad Sci U S A. 2003 Jul 22;100(15):8682-7. doi: 10.1073/pnas.1133380100. Epub 2003 Jul 9. PMID: 12853578; PMCID: PMC166372.",,,,,https://pubmed.ncbi.nlm.nih.gov/9837850/,https://pubmed.ncbi.nlm.nih.gov/12853578/,,,,,54676011,Yes,Yes,Investigational,DB00931,https://go.drugbank.com/drugs/DB00931,This is the isomeric form of the drug approved by USFDA.
DBoRL1984,Oxytetracycline,"4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide",CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)cccc4C(C)(O)C3C(O)C12,"InChI=1/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31)",OWFJMIVZYSDULZ-UHFFFAOYNA-N,C22H24N2O9,Not Found,460.439,-4.868872626,7,10,2,4,30S ribosomal subunit,Protein biosynthesis on the ribosome requires accurate reading of the genetic code in mRNA. Oxytetracycline inhibits aminoacyl tRNA synthetases activity. For this ribosome (30S) unable to get the accurate reading of the genetic code in mRNA. This event interfere/misleading the translation process. ,9837850,12853578,,,,,"1) Schimmel P, Tao J, Hill J. Aminoacyl tRNA synthetases as targets for new anti-infectives. FASEB J. 1998 Dec;12(15):1599-609. PMID: 9837850.","2) Vila-Sanjurjo A, Ridgeway WK, Seymaner V, Zhang W, Santoso S, Yu K, Cate JH. X-ray crystal structures of the WT and a hyper-accurate ribosome from Escherichia coli. Proc Natl Acad Sci U S A. 2003 Jul 22;100(15):8682-7. doi: 10.1073/pnas.1133380100. Epub 2003 Jul 9. PMID: 12853578; PMCID: PMC166372.",,,,,https://pubmed.ncbi.nlm.nih.gov/9837850/,https://pubmed.ncbi.nlm.nih.gov/12853578/,,,,,54686003,Yes,Yes,Investigational Vet_approved,DB00595,https://go.drugbank.com/drugs/DB00595,This is the isomeric form of the drug approved by USFDA.
DBoRL1985,(9S)-9-Amino-9-deoxoerythromycin,"10-amino-6-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one",CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(N)C(C)C(O)C1(C)O,"InChI=1/C37H70N2O12/c1-14-25-37(10,45)30(41)20(4)27(38)18(2)16-35(8,44)32(51-34-28(40)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-32,34,40-42,44-45H,14-17,38H2,1-13H3",XCLJRCAJSCMIND-UHFFFAOYNA-N,C37H70N2O12,Not Found,734.969,1.811628612,6,13,7,3,23S rRNA of the large ribosomal subunit from Deinococcus Radiodurans,"(9S)-9-Amino-9-deoxoerythromycin inhibits protein biosynthesis in bacteria by blocking the ribosomal tunnel at a specific site, composed of nucleotides of domain V of the 23S rRNA.",doi.org/10.1351/pac200779060955,,,,,,"Pyetan, Erez, et al. ""Chemical parameters influencing fine-tuning in the binding of macrolide antibiotics to the ribosomal tunnel."" Pure and applied chemistry 79.6 (2007): 955-968.",,,,,,https://doi.org/10.1351/pac200779060955,,,,,,12941612,No,No,,,,
DBoRL1986,"(R)-8-[(Dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-1,7,8,9-tetrahydrochromeno[5,6-d]imidazol-2-amine","12-[(dimethylamino)methyl]-3-[3-(dimethylamino)propyl]-10-oxa-3,5-diazatricyclo[7.4.0.0?,?]trideca-1,4,6,8-tetraen-4-amine",CN(C)CCCn1c(N)nc2ccc3c(c21)CC(CN(C)C)CO3,"InChI=1/C18H29N5O/c1-21(2)8-5-9-23-17-14-10-13(11-22(3)4)12-24-16(14)7-6-15(17)20-18(23)19/h6-7,13H,5,8-12H2,1-4H3,(H2,19,20)",HTUXJUVSTFSWOD-UHFFFAOYNA-N,C18H29N5O,Not Found,331.464,1.422491754,1,5,6,3,Hepatitis C Virus Internal Ribosome Entry Site,"(R)-8-[(Dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-1,7,8,9-tetrahydrochromeno[5,6-d]imidazol-2-amine binds with Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES). The compound acts on HCV replicon by conformational induction of a widened interhelical angle in the IRES subdomain IIA which facilitates the undocking of subdomain IIb from the ribosome and ultimately leads to inhibition of IRES-driven translation in HCV-infected cells.",Not Found,,,,,,"Structure of a Riboswitch in the Hepatitis C Virus Internal Ribosome Entry Site
Hermann, T., Dibrov, S., Ding, K., Brunn, N., Parker, M., Bergdahl, M., Wyles, D.

To be published.",,,,,,,,,,,,9996819,No,No,,,,
DBoRL1987,2 alkyl aryl ether paramomycin derivative 1,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-2-(hydroxymethyl)-4-(3-phenylpropoxy)oxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2OCCCc2ccccc2)C(N)C(O)C1O,"InChI=1/C32H55N5O14/c33-10-16-22(41)24(43)19(36)30(46-16)50-27-18(12-39)48-32(29(27)45-8-4-7-13-5-2-1-3-6-13)51-28-21(40)14(34)9-15(35)26(28)49-31-20(37)25(44)23(42)17(11-38)47-31/h1-3,5-6,14-32,38-44H,4,7-12,33-37H2",MLRHWXSFSMYDHU-UHFFFAOYNA-N,C32H55N5O14,Not Found,733.813,-5.207466458,12,19,14,5,Bacterial ribosomal A-site,"2 alkyl aryl ether paramomycin derivative 1 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL1988,Aminoglycoside derivative 1,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy}-3-{2-[(pyridin-3-yl)amino]ethoxy}oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",NCC1CC(O)C(N)C(OC2COC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2OCCNc2cccnc2)O1,"InChI=1/C29H51N7O12/c30-8-13-6-16(38)19(33)27(44-13)46-18-11-43-29(25(18)42-5-4-36-12-2-1-3-35-9-12)48-26-21(39)14(31)7-15(32)24(26)47-28-20(34)23(41)22(40)17(10-37)45-28/h1-3,9,13-29,36-41H,4-8,10-11,30-34H2",YYDNSGIHKPHXCF-UHFFFAOYNA-N,C29H51N7O12,Not Found,689.764,-6.28771325,11,19,13,5,Bacterial ribosomal A-site,"Aminoglycoside derivative 1 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL1989,Aminoglycoside derivative 10,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy}-3-(2-{[(piperidin-3-yl)methyl]amino}ethoxy)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",NCC1CC(O)C(N)C(OC2COC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2OCCNCC2CCCNC2)O1,"InChI=1/C30H59N7O12/c31-8-14-6-17(39)20(34)28(45-14)47-19-12-44-30(26(19)43-5-4-37-10-13-2-1-3-36-9-13)49-27-22(40)15(32)7-16(33)25(27)48-29-21(35)24(42)23(41)18(11-38)46-29/h13-30,36-42H,1-12,31-35H2",PNRAXFNTVAUQAN-UHFFFAOYNA-N,C30H59N7O12,Not Found,709.839,-6.563027572,12,19,14,5,Bacterial ribosomal A-site,"Aminoglycoside derivative 10 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,Yes,No,Experimental,DB04718,https://go.drugbank.com/drugs/DB04718,This is the isomeric form of the drug approved by USFDA.
DBoRL1990,Aminoglycoside derivative 11,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy}-3-[2-(phenylamino)ethoxy]oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",NCC1CC(O)C(N)C(OC2COC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2OCCNc2ccccc2)O1,"InChI=1/C30H52N6O12/c31-10-14-8-17(38)20(34)28(44-14)46-19-12-43-30(26(19)42-7-6-36-13-4-2-1-3-5-13)48-27-22(39)15(32)9-16(33)25(27)47-29-21(35)24(41)23(40)18(11-37)45-29/h1-5,14-30,36-41H,6-12,31-35H2",CXIHPKXTCUUSBD-UHFFFAOYNA-N,C30H52N6O12,Not Found,688.776,-5.070040823,11,18,13,5,Bacterial ribosomal A-site,"Aminoglycoside derivative 11 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL1991,Aminoglycoside derivative 12,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy}-3-{2-[(quinolin-4-yl)amino]ethoxy}oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",NCC1CC(O)C(N)C(OC2COC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2OCCNc2ccnc3ccccc23)O1,"InChI=1/C33H53N7O12/c34-11-14-9-20(42)23(37)31(48-14)50-22-13-47-33(29(22)46-8-7-40-19-5-6-39-18-4-2-1-3-15(18)19)52-30-25(43)16(35)10-17(36)28(30)51-32-24(38)27(45)26(44)21(12-41)49-32/h1-6,14,16-17,20-33,41-45H,7-13,34-38H2,(H,39,40)",CZGXCHXGSHBALW-UHFFFAOYNA-N,C33H53N7O12,Not Found,739.824,-4.912386167,11,19,13,6,Bacterial ribosomal A-site,"Aminoglycoside derivative 12 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL1992,Aminoglycoside derivative 14,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy}-3-(2-{[2-(pyridin-3-yl)ethyl]amino}ethoxy)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",NCC1CC(O)C(N)C(OC2COC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2OCCNCCc2cccnc2)O1,"InChI=1/C31H55N7O12/c32-10-15-8-18(40)21(35)29(46-15)48-20-13-45-31(27(20)44-7-6-37-5-3-14-2-1-4-38-11-14)50-28-23(41)16(33)9-17(34)26(28)49-30-22(36)25(43)24(42)19(12-39)47-30/h1-2,4,11,15-31,37,39-43H,3,5-10,12-13,32-36H2",UJEMNUKYPSZJDT-UHFFFAOYNA-N,C31H55N7O12,Not Found,717.818,-5.913481342,11,19,15,5,Bacterial ribosomal A-site,"Aminoglycoside derivative 14 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL1993,Aminoglycoside derivative 15,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy}-3-{2-[(2-phenylethyl)amino]ethoxy}oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",NCC1CC(O)C(N)C(OC2COC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2OCCNCCc2ccccc2)O1,"InChI=1/C32H56N6O12/c33-12-16-10-19(40)22(36)30(46-16)48-21-14-45-32(28(21)44-9-8-38-7-6-15-4-2-1-3-5-15)50-29-24(41)17(34)11-18(35)27(29)49-31-23(37)26(43)25(42)20(13-39)47-31/h1-5,16-32,38-43H,6-14,33-37H2",HUIYEDFPCFFRPH-UHFFFAOYNA-N,C32H56N6O12,Not Found,716.83,-4.695808915,11,18,15,5,Bacterial ribosomal A-site,"Aminoglycoside derivative 15 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL1994,Aminoglycoside derivative 16,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy}-3-[2-(benzylamino)ethoxy]oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",NCC1CC(O)C(N)C(OC2COC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2OCCNCc2ccccc2)O1,"InChI=1/C31H54N6O12/c32-10-15-8-18(39)21(35)29(45-15)47-20-13-44-31(27(20)43-7-6-37-11-14-4-2-1-3-5-14)49-28-23(40)16(33)9-17(34)26(28)48-30-22(36)25(42)24(41)19(12-38)46-30/h1-5,15-31,37-42H,6-13,32-36H2",SNRPQVVUZDEYEE-UHFFFAOYNA-N,C31H54N6O12,Not Found,702.803,-4.98447012,11,18,14,5,Bacterial ribosomal A-site,"Aminoglycoside derivative 16 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL1995,Aminoglycoside derivative 17,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy}-3-{2-[(3-hydroxyphenyl)amino]ethoxy}oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",NCC1CC(O)C(N)C(OC2COC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2OCCNc2cccc(O)c2)O1,"InChI=1/C30H52N6O13/c31-9-14-7-17(39)20(34)28(45-14)47-19-11-44-30(26(19)43-5-4-36-12-2-1-3-13(38)6-12)49-27-22(40)15(32)8-16(33)25(27)48-29-21(35)24(42)23(41)18(10-37)46-29/h1-3,6,14-30,36-42H,4-5,7-11,31-35H2",ZESNETNNLVUNCR-UHFFFAOYNA-N,C30H52N6O13,Not Found,704.775,-5.930322395,12,19,13,5,Bacterial ribosomal A-site,"Aminoglycoside derivative 17 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL1996,Aminoglycoside derivative 18,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy}-3-(2-{[(6-aminopyridin-3-yl)methyl]amino}ethoxy)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",NCC1CC(O)C(N)C(OC2COC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2OCCNCc2ccc(N)nc2)O1,"InChI=1/C30H54N8O12/c31-7-13-5-16(40)20(35)28(46-13)48-18-11-45-30(26(18)44-4-3-37-8-12-1-2-19(34)38-9-12)50-27-22(41)14(32)6-15(33)25(27)49-29-21(36)24(43)23(42)17(10-39)47-29/h1-2,9,13-18,20-30,37,39-43H,3-8,10-11,31-33,35-36H2,(H2,34,38)",WEUMOMDXMRQZNZ-UHFFFAOYNA-N,C30H54N8O12,Not Found,718.806,-6.436610971,12,20,14,5,Bacterial ribosomal A-site,"Aminoglycoside derivative 18 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL1997,Aminoglycoside derivative 19,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy}-3-(2-{[(2-aminopyridin-4-yl)methyl]amino}ethoxy)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",NCC1CC(O)C(N)C(OC2COC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2OCCNCc2ccnc(N)c2)O1,"InChI=1/C30H54N8O12/c31-8-13-6-16(40)20(35)28(46-13)48-18-11-45-30(26(18)44-4-3-37-9-12-1-2-38-19(34)5-12)50-27-22(41)14(32)7-15(33)25(27)49-29-21(36)24(43)23(42)17(10-39)47-29/h1-2,5,13-18,20-30,37,39-43H,3-4,6-11,31-33,35-36H2,(H2,34,38)",UBFWOBLNQMULQL-UHFFFAOYNA-N,C30H54N8O12,Not Found,718.806,-6.436610971,12,20,14,5,Bacterial ribosomal A-site,"Aminoglycoside derivative 19 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL1998,Aminoglycoside derivative 2,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy}-3-(2-{[(pyridin-2-yl)methyl]amino}ethoxy)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",NCC1CC(O)C(N)C(OC2COC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2OCCNCc2ccccn2)O1,"InChI=1/C30H53N7O12/c31-9-14-7-17(39)20(34)28(45-14)47-19-12-44-30(26(19)43-6-5-36-10-13-3-1-2-4-37-13)49-27-22(40)15(32)8-16(33)25(27)48-29-21(35)24(42)23(41)18(11-38)46-29/h1-4,14-30,36,38-42H,5-12,31-35H2",HUTCCCLIBDAVHC-UHFFFAOYNA-N,C30H53N7O12,Not Found,703.791,-6.120670657,11,19,14,5,Bacterial ribosomal A-site,"Aminoglycoside derivative 2 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL1999,Aminoglycoside derivative 20,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy}-3-{2-[(pyridin-2-yl)amino]ethoxy}oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",NCC1CC(O)C(N)C(OC2COC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2OCCNc2ccccn2)O1,"InChI=1/C29H51N7O12/c30-9-12-7-15(38)19(33)27(44-12)46-17-11-43-29(25(17)42-6-5-36-18-3-1-2-4-35-18)48-26-21(39)13(31)8-14(32)24(26)47-28-20(34)23(41)22(40)16(10-37)45-28/h1-4,12-17,19-29,37-41H,5-11,30-34H2,(H,35,36)",LDKXZZDHVZRNTE-UHFFFAOYNA-N,C29H51N7O12,Not Found,689.764,-5.69325572,11,19,13,5,Bacterial ribosomal A-site,"Aminoglycoside derivative 20 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2000,Aminoglycoside derivative 21,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy}-3-{2-[(3,3-dimethylbutyl)amino]ethoxy}oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",CC(C)(C)CCNCCOC1C(OC2OC(CN)CC(O)C2N)COC1OC1C(O)C(N)CC(N)C1OC1OC(CO)C(O)C(O)C1N,"InChI=1/C30H60N6O12/c1-30(2,3)4-5-36-6-7-42-25-18(46-27-19(34)16(38)8-13(10-31)44-27)12-43-29(25)48-26-21(39)14(32)9-15(33)24(26)47-28-20(35)23(41)22(40)17(11-37)45-28/h13-29,36-41H,4-12,31-35H2,1-3H3",VUQSACPWNASMJZ-UHFFFAOYNA-N,C30H60N6O12,Not Found,696.84,-4.797978007,11,18,15,4,Bacterial ribosomal A-site,"Aminoglycoside derivative 21 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2001,Aminoglycoside derivative 22,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy}-3-{2-[(3-phenylpropyl)amino]ethoxy}oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",NCC1CC(O)C(N)C(OC2COC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2OCCNCCCc2ccccc2)O1,"InChI=1/C33H58N6O12/c34-13-17-11-20(41)23(37)31(47-17)49-22-15-46-33(29(22)45-10-9-39-8-4-7-16-5-2-1-3-6-16)51-30-25(42)18(35)12-19(36)28(30)50-32-24(38)27(44)26(43)21(14-40)48-32/h1-3,5-6,17-33,39-44H,4,7-15,34-38H2",XOJALSBSLREABY-UHFFFAOYNA-N,C33H58N6O12,Not Found,730.857,-4.25124025,11,18,16,5,Bacterial ribosomal A-site,"Aminoglycoside derivative 22 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2002,Aminoglycoside derivative 23,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy}-3-(2-{[2-(3,5-dimethoxyphenyl)ethyl]amino}ethoxy)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",COc1cc(CCNCCOC2C(OC3OC(CN)CC(O)C3N)COC2OC2C(O)C(N)CC(N)C2OC2OC(CO)C(O)C(O)C2N)cc(OC)c1,"InChI=1/C34H60N6O14/c1-46-16-7-15(8-17(9-16)47-2)3-4-40-5-6-48-30-23(52-32-24(38)21(42)10-18(12-35)50-32)14-49-34(30)54-31-26(43)19(36)11-20(37)29(31)53-33-25(39)28(45)27(44)22(13-41)51-33/h7-9,18-34,40-45H,3-6,10-14,35-39H2,1-2H3",IRUCYLQOJSWDBJ-UHFFFAOYNA-N,C34H60N6O14,Not Found,776.882,-5.011151447,11,20,17,5,Bacterial ribosomal A-site,"Aminoglycoside derivative 23 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2003,Aminoglycoside derivative 24,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy}-3-{2-[(4-phenylbutyl)amino]ethoxy}oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",NCC1CC(O)C(N)C(OC2COC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2OCCNCCCCc2ccccc2)O1,"InChI=1/C34H60N6O12/c35-14-18-12-21(42)24(38)32(48-18)50-23-16-47-34(30(23)46-11-10-40-9-5-4-8-17-6-2-1-3-7-17)52-31-26(43)19(36)13-20(37)29(31)51-33-25(39)28(45)27(44)22(15-41)49-33/h1-3,6-7,18-34,40-45H,4-5,8-16,35-39H2",MATOCYIDDANJKM-UHFFFAOYNA-N,C34H60N6O12,Not Found,744.884,-3.806671585,11,18,17,5,Bacterial ribosomal A-site,"Aminoglycoside derivative 24 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2004,Aminoglycoside derivative 25,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy}-3-{2-[(2-{[1,1'-biphenyl]-4-yl}ethyl)amino]ethoxy}oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",NCC1CC(O)C(N)C(OC2COC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2OCCNCCc2ccc(-c3ccccc3)cc2)O1,"InChI=1/C38H60N6O12/c39-16-22-14-25(46)28(42)36(52-22)54-27-18-51-38(34(27)50-13-12-44-11-10-19-6-8-21(9-7-19)20-4-2-1-3-5-20)56-35-30(47)23(40)15-24(41)33(35)55-37-29(43)32(49)31(48)26(17-45)53-37/h1-9,22-38,44-49H,10-18,39-43H2",KSERPNKUWJQDJF-UHFFFAOYNA-N,C38H60N6O12,Not Found,792.928,-3.048583553,11,18,16,6,Bacterial ribosomal A-site,"Aminoglycoside derivative 25 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2005,Aminoglycoside derivative 26,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy}-3-{2-[(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethoxy}oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",NCC1CC(O)C(N)C(OC2COC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2OCCNC2CCCc3ccccc32)O1,"InChI=1/C34H58N6O12/c35-12-16-10-21(42)24(38)32(48-16)50-23-14-47-34(30(23)46-9-8-40-20-7-3-5-15-4-1-2-6-17(15)20)52-31-26(43)18(36)11-19(37)29(31)51-33-25(39)28(45)27(44)22(13-41)49-33/h1-2,4,6,16,18-34,40-45H,3,5,7-14,35-39H2",VSUBHGUEVUBPDC-UHFFFAOYNA-N,C34H58N6O12,Not Found,742.868,-3.995677214,11,18,13,6,Bacterial ribosomal A-site,"Aminoglycoside derivative 26 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2006,Aminoglycoside derivative 27,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy}-3-(2-{[7-(5-ethylheptyl)-6a-methyl-octadecahydrochrysen-2-yl]amino}ethoxy)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",CCC(CC)CCCCC1CCCC2C3CCC4CC(NCCOC5C(OC6OC(CN)CC(O)C6N)COC5OC5C(O)C(N)CC(N)C5OC5OC(CO)C(O)C(O)C5N)CCC4C3CCC12C,"InChI=1/C52H96N6O12/c1-4-27(5-2)9-6-7-10-29-11-8-12-35-34-15-13-28-21-30(14-16-32(28)33(34)17-18-52(29,35)3)58-19-20-64-47-40(68-49-41(56)38(60)22-31(24-53)66-49)26-65-51(47)70-48-43(61)36(54)23-37(55)46(48)69-50-42(57)45(63)44(62)39(25-59)67-50/h27-51,58-63H,4-26,53-57H2,1-3H3",MBPFNHRTGKTVNG-UHFFFAOYNA-N,C52H96N6O12,Not Found,997.37,2.074742122,11,18,20,8,Bacterial ribosomal A-site,"Aminoglycoside derivative 27 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2007,Aminoglycoside derivative 28,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy}-3-[2-({2-[3,5-bis(trifluoromethyl)phenyl]ethyl}amino)ethoxy]oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",NCC1CC(O)C(N)C(OC2COC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2OCCNCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)O1,"InChI=1/C34H54F6N6O12/c35-33(36,37)14-5-13(6-15(7-14)34(38,39)40)1-2-46-3-4-52-28-21(56-30-22(44)19(48)8-16(10-41)54-30)12-53-32(28)58-29-24(49)17(42)9-18(43)27(29)57-31-23(45)26(51)25(50)20(11-47)55-31/h5-7,16-32,46-51H,1-4,8-12,41-45H2",BHWDSJKSJBLRTG-UHFFFAOYNA-N,C34H54F6N6O12,Not Found,852.826,-2.940111952,11,18,17,5,Bacterial ribosomal A-site,"Aminoglycoside derivative 28 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2008,Aminoglycoside derivative 29,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy}-3-{2-[(2-phenylethyl)(3-phenylpropyl)amino]ethoxy}oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",NCC1CC(O)C(N)C(OC2COC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2OCCN(CCCc2ccccc2)CCc2ccccc2)O1,"InChI=1/C41H66N6O12/c42-20-25-18-28(49)31(45)39(55-25)57-30-22-54-41(59-38-33(50)26(43)19-27(44)36(38)58-40-32(46)35(52)34(51)29(21-48)56-40)37(30)53-17-16-47(15-13-24-10-5-2-6-11-24)14-7-12-23-8-3-1-4-9-23/h1-6,8-11,25-41,48-52H,7,12-22,42-46H2",GMVMRBIWWUHHIZ-UHFFFAOYNA-N,C41H66N6O12,Not Found,835.009,-1.855057991,10,18,19,6,Bacterial ribosomal A-site,"Aminoglycoside derivative 29 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2009,Aminoglycoside derivative 3,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy}-3-{2-[(3-aminopropyl)amino]ethoxy}oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",NCCCNCCOC1C(OC2OC(CN)CC(O)C2N)COC1OC1C(O)C(N)CC(N)C1OC1OC(CO)C(O)C(O)C1N,"InChI=1/C27H55N7O12/c28-2-1-3-34-4-5-40-23-16(44-25-17(32)14(36)6-11(8-29)42-25)10-41-27(23)46-24-19(37)12(30)7-13(31)22(24)45-26-18(33)21(39)20(38)15(9-35)43-26/h11-27,34-39H,1-10,28-33H2",LSUOMAGKVJNGFO-UHFFFAOYNA-N,C27H55N7O12,Not Found,669.774,-7.445967307,12,19,15,4,Bacterial ribosomal A-site,"Aminoglycoside derivative 3 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,Yes,No,Experimental,DB04717,https://go.drugbank.com/drugs/DB04717,This is the isomeric form of the drug approved by USFDA.
DBoRL2010,Aminoglycoside derivative 30,"5-amino-6-[(4,6-diamino-2-{[3-(2-aminoethoxy)-4-{[6-(aminomethyl)-4-hydroxy-3-({2-[4-(trifluoromethyl)phenyl]ethyl}amino)oxan-2-yl]oxy}oxolan-2-yl]oxy}-3-hydroxycyclohexyl)oxy]-2-(hydroxymethyl)oxane-3,4-diol",NCCOC1C(OC2OC(CN)CC(O)C2NCCc2ccc(C(F)(F)F)cc2)COC1OC1C(O)C(N)CC(N)C1OC1OC(CO)C(O)C(O)C1N,"InChI=1/C33H55F3N6O12/c34-33(35,36)15-3-1-14(2-4-15)5-7-42-23-19(44)9-16(11-38)50-31(23)52-21-13-49-32(28(21)48-8-6-37)54-29-24(45)17(39)10-18(40)27(29)53-30-22(41)26(47)25(46)20(12-43)51-30/h1-4,16-32,42-47H,5-13,37-41H2",NBQXBHIEASLXDK-UHFFFAOYNA-N,C33H55F3N6O12,Not Found,784.828,-3.817960434,11,18,16,5,Bacterial ribosomal A-site,"Aminoglycoside derivative 30 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2011,Aminoglycoside derivative 31,"5-amino-6-[(4,6-diamino-2-{[3-(2-aminoethoxy)-4-{[6-(aminomethyl)-3-(dinonylamino)-4-hydroxyoxan-2-yl]oxy}oxolan-2-yl]oxy}-3-hydroxycyclohexyl)oxy]-2-(hydroxymethyl)oxane-3,4-diol",CCCCCCCCCN(CCCCCCCCC)C1C(O)CC(CN)OC1OC1COC(OC2C(O)C(N)CC(N)C2OC2OC(CO)C(O)C(O)C2N)C1OCCN,"InChI=1/C42H84N6O12/c1-3-5-7-9-11-13-15-18-48(19-16-14-12-10-8-6-4-2)33-29(50)21-26(23-44)56-41(33)58-31-25-55-42(38(31)54-20-17-43)60-39-34(51)27(45)22-28(46)37(39)59-40-32(47)36(53)35(52)30(24-49)57-40/h26-42,49-53H,3-25,43-47H2,1-2H3",IFKMLSHDIGXYDJ-UHFFFAOYNA-N,C42H84N6O12,Not Found,865.164,0.767589379,10,18,28,4,Bacterial ribosomal A-site,"Aminoglycoside derivative 31 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2012,Aminoglycoside derivative 32,"5-amino-6-[(4,6-diamino-2-{[3-(2-aminoethoxy)-4-{[6-(aminomethyl)-4-hydroxy-3-{[2-(4-methoxyphenyl)ethyl]amino}oxan-2-yl]oxy}oxolan-2-yl]oxy}-3-hydroxycyclohexyl)oxy]-2-(hydroxymethyl)oxane-3,4-diol",COc1ccc(CCNC2C(O)CC(CN)OC2OC2COC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2OCCN)cc1,"InChI=1/C33H58N6O13/c1-45-16-4-2-15(3-5-16)6-8-39-24-20(41)10-17(12-35)48-32(24)50-22-14-47-33(29(22)46-9-7-34)52-30-25(42)18(36)11-19(37)28(30)51-31-23(38)27(44)26(43)21(13-40)49-31/h2-5,17-33,39-44H,6-14,34-38H2,1H3",DTXVHVBWAWFACT-UHFFFAOYNA-N,C33H58N6O13,Not Found,746.856,-4.853480181,11,19,16,5,Bacterial ribosomal A-site,"Aminoglycoside derivative 32 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2013,Aminoglycoside derivative 33,"5-amino-6-[(4,6-diamino-2-{[3-(2-aminoethoxy)-4-{[6-(aminomethyl)-4-hydroxy-3-{[2-(naphthalen-2-yl)ethyl]amino}oxan-2-yl]oxy}oxolan-2-yl]oxy}-3-hydroxycyclohexyl)oxy]-2-(hydroxymethyl)oxane-3,4-diol",NCCOC1C(OC2OC(CN)CC(O)C2NCCc2ccc3ccccc3c2)COC1OC1C(O)C(N)CC(N)C1OC1OC(CO)C(O)C(O)C1N,"InChI=1/C36H58N6O12/c37-8-10-48-32-25(52-35-27(23(44)12-20(14-38)50-35)42-9-7-17-5-6-18-3-1-2-4-19(18)11-17)16-49-36(32)54-33-28(45)21(39)13-22(40)31(33)53-34-26(41)30(47)29(46)24(15-43)51-34/h1-6,11,20-36,42-47H,7-10,12-16,37-41H2",CUKKAGGWRDOMJH-UHFFFAOYNA-N,C36H58N6O12,Not Found,766.89,-3.706332159,11,18,15,6,Bacterial ribosomal A-site,"Aminoglycoside derivative 33 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2014,Aminoglycoside derivative 4,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy}-3-{2-[(2-aminoethyl)amino]ethoxy}oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",NCCNCCOC1C(OC2OC(CN)CC(O)C2N)COC1OC1C(O)C(N)CC(N)C1OC1OC(CO)C(O)C(O)C1N,"InChI=1/C26H53N7O12/c27-1-2-33-3-4-39-22-15(43-24-16(31)13(35)5-10(7-28)41-24)9-40-26(22)45-23-18(36)11(29)6-12(30)21(23)44-25-17(32)20(38)19(37)14(8-34)42-25/h10-26,33-38H,1-9,27-32H2",PMOMDGDZQXREMK-UHFFFAOYNA-N,C26H53N7O12,Not Found,655.747,-7.505927046,12,19,14,4,Bacterial ribosomal A-site,"Aminoglycoside derivative 4 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2015,Aminoglycoside derivative 6,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy}-3-(2-aminoethoxy)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",NCCOC1C(OC2OC(CN)CC(O)C2N)COC1OC1C(O)C(N)CC(N)C1OC1OC(CO)C(O)C(O)C1N,"InChI=1/C24H48N6O12/c25-1-2-36-20-13(40-22-14(29)11(32)3-8(5-26)38-22)7-37-24(20)42-21-16(33)9(27)4-10(28)19(21)41-23-15(30)18(35)17(34)12(6-31)39-23/h8-24,31-35H,1-7,25-30H2",RSIWEMDIUBDOTJ-UHFFFAOYNA-N,C24H48N6O12,Not Found,612.678,-7.141523631,11,18,11,4,Bacterial ribosomal A-site,"Aminoglycoside derivative 6 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2016,Aminoglycoside derivative 7,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy}-3-[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethoxy]oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",NCCNCCNCCOC1C(OC2OC(CN)CC(O)C2N)COC1OC1C(O)C(N)CC(N)C1OC1OC(CO)C(O)C(O)C1N,"InChI=1/C28H58N8O12/c29-1-2-35-3-4-36-5-6-42-24-17(46-26-18(33)15(38)7-12(9-30)44-26)11-43-28(24)48-25-20(39)13(31)8-14(32)23(25)47-27-19(34)22(41)21(40)16(10-37)45-27/h12-28,35-41H,1-11,29-34H2",QTEWCVSHBTUZDV-UHFFFAOYNA-N,C28H58N8O12,Not Found,698.816,-7.870330461,13,20,17,4,Bacterial ribosomal A-site,"Aminoglycoside derivative 7 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2017,Aminoglycoside derivative 8,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy}-3-(2-{[2-(piperazin-1-yl)ethyl]amino}ethoxy)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",NCC1CC(O)C(N)C(OC2COC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2OCCNCCN2CCNCC2)O1,"InChI=1/C30H60N8O12/c31-11-14-9-17(40)20(34)28(46-14)48-19-13-45-30(26(19)44-8-4-37-3-7-38-5-1-36-2-6-38)50-27-22(41)15(32)10-16(33)25(27)49-29-21(35)24(43)23(42)18(12-39)47-29/h14-30,36-37,39-43H,1-13,31-35H2",YOVVFGJEGYQOAL-UHFFFAOYNA-N,C30H60N8O12,Not Found,724.854,-7.226227074,12,20,15,5,Bacterial ribosomal A-site,"Aminoglycoside derivative 8 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2018,Aminoglycoside derivative 9,"5-amino-6-({4,6-diamino-2-[(4-{[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy}-3-{2-[(piperidin-4-yl)amino]ethoxy}oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diol",NCC1CC(O)C(N)C(OC2COC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2OCCNC2CCNCC2)O1,"InChI=1/C29H57N7O12/c30-9-13-7-16(38)19(33)27(44-13)46-18-11-43-29(25(18)42-6-5-36-12-1-3-35-4-2-12)48-26-21(39)14(31)8-15(32)24(26)47-28-20(34)23(41)22(40)17(10-37)45-28/h12-29,35-41H,1-11,30-34H2",OMKYFKKOGWKBOP-UHFFFAOYNA-N,C29H57N7O12,Not Found,695.812,-7.065185048,12,19,13,5,Bacterial ribosomal A-site,"Aminoglycoside derivative 9 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2019,BB-K80,"benzyl N-({5-amino-6-[(5-{[3-amino-5-(3-amino-2-hydroxypropanamido)-2-{[3-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl]oxy}-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl)oxy]-3,4-dihydroxyoxan-2-yl}methyl)carbamate",NCC(O)C(=O)NC1CC(N)C(OC2OC(CO)C(O)CC2N)C(OC2OC(CO)C(OC3OC(CNC(=O)OCc4ccccc4)C(O)C(O)C3N)C2O)C1O,"InChI=1/C34H56N6O17/c35-8-18(44)30(49)40-16-6-14(36)27(55-31-15(37)7-17(43)20(10-41)53-31)29(23(16)45)57-33-26(48)28(21(11-42)54-33)56-32-22(38)25(47)24(46)19(52-32)9-39-34(50)51-12-13-4-2-1-3-5-13/h1-5,14-29,31-33,41-48H,6-12,35-38H2,(H,39,50)(H,40,49)",ZQAROUOGMYOTPI-UHFFFAOYNA-N,C34H56N6O17,Not Found,820.847,-7.038819376,14,20,16,5,Bacterial ribosomal A-site,"BB-K80 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2020,BB-K82,"3-amino-N-(5-amino-4-{[3-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-2-hydroxycyclohexyl)-2-hydroxypropanamide",NCC(O)C(=O)NC1CC(N)C(OC2OC(CO)C(O)CC2N)C(OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2O)C1O,"InChI=1/C26H50N6O15/c27-3-11(36)23(41)32-9-1-7(29)20(45-24-8(30)2-10(35)13(5-33)43-24)22(16(9)37)47-26-19(40)21(14(6-34)44-26)46-25-15(31)18(39)17(38)12(4-28)42-25/h7-22,24-26,33-40H,1-6,27-31H2,(H,32,41)",KBBFCBIYQXOUDQ-UHFFFAOYNA-N,C26H50N6O15,Not Found,686.713,-9.201430232,14,20,12,4,Bacterial ribosomal A-site,"BB-K82 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2021,Bifunctional aminoglycoside derivative 1,"2-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-N-(5-{2-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]acetamido}pentyl)acetamide",NCC1OC(OC2C(N)CC(N)C(O)C2OCC(=O)NCCCCCNC(=O)COC2C(O)C(N)CC(N)C2OC2OC(CN)C(O)C(O)C2N)C(N)C(O)C1O,"InChI=1/C33H66N10O14/c34-8-16-24(48)26(50)20(40)32(54-16)56-28-14(38)6-12(36)22(46)30(28)52-10-18(44)42-4-2-1-3-5-43-19(45)11-53-31-23(47)13(37)7-15(39)29(31)57-33-21(41)27(51)25(49)17(9-35)55-33/h12-17,20-33,46-51H,1-11,34-41H2,(H,42,44)(H,43,45)",QLSPSEVSUCPQCC-UHFFFAOYNA-N,C33H66N10O14,Not Found,826.947,-10.65410295,16,22,18,4,16s rRNA A SITE,"Bifunctional aminoglycoside derivative 1, an antibiotic, binds with bacterial 16s rRNA A site and interferes the translation process.",10.1021/ja000575w,,,,,,"Sucheck, Steven J., et al. ""Design of bifunctional antibiotics that target bacterial rRNA and inhibit resistance-causing enzymes."" Journal of the American Chemical Society 122.21 (2000): 5230-5231.",,,,,,https://doi.org/10.1021/ja000575w,,,,,,Not Found,No,No,,,,
DBoRL2022,Bifunctional aminoglycoside derivative 2,"5-amino-2-(aminomethyl)-6-{[4,6-diamino-2-(3-{[4-({3-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-2-hydroxypropyl}(methyl)amino)butyl](methyl)amino}-2-hydroxypropoxy)-3-hydroxycyclohexyl]oxy}oxane-3,4-diol",CN(CCCCN(C)CC(O)COC1C(O)C(N)CC(N)C1OC1OC(CN)C(O)C(O)C1N)CC(O)COC1C(O)C(N)CC(N)C1OC1OC(CN)C(O)C(O)C1N,"InChI=1/C36H76N10O14/c1-45(11-15(47)13-55-33-25(49)17(39)7-19(41)31(33)59-35-23(43)29(53)27(51)21(9-37)57-35)5-3-4-6-46(2)12-16(48)14-56-34-26(50)18(40)8-20(42)32(34)60-36-24(44)30(54)28(52)22(10-38)58-36/h15-36,47-54H,3-14,37-44H2,1-2H3",NVTAOQRIEMRLHK-UHFFFAOYNA-N,C36H76N10O14,Not Found,873.06,-10.11148597,16,24,21,4,16s rRNA A SITE,"Bifunctional aminoglycoside derivative 2, an antibiotic, binds with bacterial 16s rRNA A site and interferes the translation process.",10.1021/ja000575w,,,,,,"Sucheck, Steven J., et al. ""Design of bifunctional antibiotics that target bacterial rRNA and inhibit resistance-causing enzymes."" Journal of the American Chemical Society 122.21 (2000): 5230-5231.",,,,,,https://doi.org/10.1021/ja000575w,,,,,,20817711,No,No,,,,
DBoRL2023,Bifunctional aminoglycoside derivative 3,"5-amino-6-[3-({6-[(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxypropyl)(methyl)amino]hexyl}(methyl)amino)-2-hydroxypropoxy]-2-(aminomethyl)oxane-3,4-diol",CN(CCCCCCN(C)CC(O)COC1OC(CN)C(O)C(O)C1N)CC(O)COC1OC(CN)C(O)C(O)C1N,"InChI=1/C26H56N6O10/c1-31(11-15(33)13-39-25-19(29)23(37)21(35)17(9-27)41-25)7-5-3-4-6-8-32(2)12-16(34)14-40-26-20(30)24(38)22(36)18(10-28)42-26/h15-26,33-38H,3-14,27-30H2,1-2H3",KISJEAWKOPEDNK-UHFFFAOYNA-N,C26H56N6O10,Not Found,612.766,-4.934798658,10,16,19,2,16s rRNA A SITE,"Bifunctional aminoglycoside derivative 3, an antibiotic, binds with bacterial 16s rRNA A site and interferes the translation process.",10.1021/ja000575w,,,,,,"Sucheck, Steven J., et al. ""Design of bifunctional antibiotics that target bacterial rRNA and inhibit resistance-causing enzymes."" Journal of the American Chemical Society 122.21 (2000): 5230-5231.",,,,,,https://doi.org/10.1021/ja000575w,,,,,,Not Found,No,No,,,,
DBoRL2024,Bifunctional aminoglycoside derivative 4,"4,6-diamino-3-(3-{[6-({3-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-2-hydroxypropyl}(methyl)amino)hexyl](methyl)amino}-2-hydroxypropoxy)cyclohexane-1,2-diol",CN(CCCCCCN(C)CC(O)COC1C(N)CC(N)C(O)C1O)CC(O)COC1C(N)CC(N)C(O)C1O,"InChI=1/C26H56N6O8/c1-31(11-15(33)13-39-25-19(29)9-17(27)21(35)23(25)37)7-5-3-4-6-8-32(2)12-16(34)14-40-26-20(30)10-18(28)22(36)24(26)38/h15-26,33-38H,3-14,27-30H2,1-2H3",UPGTWNAVYZLHHL-UHFFFAOYNA-N,C26H56N6O8,Not Found,580.768,-5.253150164,10,14,17,2,16s rRNA A SITE,"Bifunctional aminoglycoside derivative 4, an antibiotic, binds with bacterial 16s rRNA A site and interferes the translation process.",10.1021/ja000575w,,,,,,"Sucheck, Steven J., et al. ""Design of bifunctional antibiotics that target bacterial rRNA and inhibit resistance-causing enzymes."" Journal of the American Chemical Society 122.21 (2000): 5230-5231.",,,,,,https://doi.org/10.1021/ja000575w,,,,,,Not Found,No,No,,,,
DBoRL2025,Bifunctional aminoglycoside derivative 5,"5-amino-6-[3-({6-[(3-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxypropyl)(methyl)amino]hexyl}(methyl)amino)-2-hydroxypropoxy]-2-(hydroxymethyl)oxane-3,4-diol",CN(CCCCCCN(C)CC(O)COC1OC(CO)C(O)C(O)C1N)CC(O)COC1OC(CO)C(O)C(O)C1N,"InChI=1/C26H54N4O12/c1-29(9-15(33)13-39-25-19(27)23(37)21(35)17(11-31)41-25)7-5-3-4-6-8-30(2)10-16(34)14-40-26-20(28)24(38)22(36)18(12-32)42-26/h15-26,31-38H,3-14,27-28H2,1-2H3",NBKOZQLIOOKWGP-UHFFFAOYNA-N,C26H54N4O12,Not Found,614.734,-4.721035065,10,16,19,2,16s rRNA A SITE,"Bifunctional aminoglycoside derivative 5, an antibiotic, binds with bacterial 16s rRNA A site and interferes the translation process.",10.1021/ja000575w,,,,,,"Sucheck, Steven J., et al. ""Design of bifunctional antibiotics that target bacterial rRNA and inhibit resistance-causing enzymes."" Journal of the American Chemical Society 122.21 (2000): 5230-5231.",,,,,,https://doi.org/10.1021/ja000575w,,,,,,Not Found,No,No,,,,
DBoRL2026,Bifunctional aminoglycoside derivative 6,"5-amino-6-(3-{[6-({3-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-2-hydroxypropyl}(methyl)amino)hexyl](methyl)amino}-2-hydroxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol",CN(CCCCCCN(C)CC(O)COC1C(N)CC(N)C(O)C1O)CC(O)COC1OC(CO)C(O)C(O)C1N,"InChI=1/C26H55N5O10/c1-30(10-15(33)13-39-25-18(28)9-17(27)21(35)24(25)38)7-5-3-4-6-8-31(2)11-16(34)14-40-26-20(29)23(37)22(36)19(12-32)41-26/h15-26,32-38H,3-14,27-29H2,1-2H3",HMDPBRMNFCBAFM-UHFFFAOYNA-N,C26H55N5O10,Not Found,597.751,-4.987092614,10,15,18,2,16s rRNA A SITE,"Bifunctional aminoglycoside derivative 6, an antibiotic, binds with bacterial 16s rRNA A site and interferes the translation process.",10.1021/ja000575w,,,,,,"Sucheck, Steven J., et al. ""Design of bifunctional antibiotics that target bacterial rRNA and inhibit resistance-causing enzymes."" Journal of the American Chemical Society 122.21 (2000): 5230-5231.",,,,,,https://doi.org/10.1021/ja000575w,,,,,,Not Found,No,No,,,,
DBoRL2027,Bifunctional aminoglycoside derivative 7,"5-amino-2-(aminomethyl)-6-(3-{[6-({3-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-2-hydroxypropyl}(methyl)amino)hexyl](methyl)amino}-2-hydroxypropoxy)oxane-3,4-diol",CN(CCCCCCN(C)CC(O)COC1C(N)CC(N)C(O)C1O)CC(O)COC1OC(CN)C(O)C(O)C1N,"InChI=1/C26H56N6O9/c1-31(11-15(33)13-39-25-18(29)9-17(28)21(35)24(25)38)7-5-3-4-6-8-32(2)12-16(34)14-40-26-20(30)23(37)22(36)19(10-27)41-26/h15-26,33-38H,3-14,27-30H2,1-2H3",AMHPAUSWEUVWBM-UHFFFAOYNA-N,C26H56N6O9,Not Found,596.767,-5.093974411,10,15,18,2,16s rRNA A SITE,"Bifunctional aminoglycoside derivative 7, an antibiotic, binds with bacterial 16s rRNA A site and interferes the translation process.",10.1021/ja000575w,,,,,,"Sucheck, Steven J., et al. ""Design of bifunctional antibiotics that target bacterial rRNA and inhibit resistance-causing enzymes."" Journal of the American Chemical Society 122.21 (2000): 5230-5231.",,,,,,https://doi.org/10.1021/ja000575w,,,,,,Not Found,No,No,,,,
DBoRL2028,"Bis(phenanthroline)(9,10-phenanthrenequinone diimine)Rhodium(III)",,C1C=C=CC2=C1C1=C(C=CC=C1)C1=N[Rh]345(N=C21)[N]1=CC=CC2=CC=C6C=CC=[N]3C6=C12.C1=CC2=CC=C3C=CC=[N]4C3=C2[N]5=C1,"InChI=1/C14H8N2.2C12H8N2.Rh/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-3,5,7-8H,6H2;2*1-8H;/q-2;;;+2",NQVRWMXZKAGRCQ-UHFFFAOYNA-N,C38H24N6Rh,Not Found,667.557,,0,0,0,12,Yeast t-RNA (Phe),"Bis(phenanthroline)(9,10-phenanthrenequinone diimine)Rhodium(III), an oxidizing metal complex, cleaves functionally relevant sites in ferritin mRNA. ",10.1021/ic951094u,,,,,,"Cleavage of Functionally Relevant Sites in Ferritin mRNA by Oxidizing Metal Complexes
H. Holden Thorp, R. Ann McKenzie, Peng-Nian Lin, William E. Walden, and Elizabeth C. Theil
Inorganic Chemistry 1996 35 (10), 2773-2779
DOI: 10.1021/ic951094u ",,,,,,https://doi.org/10.1021/ic951094u,,,,,,Not Found,No,No,,,,
DBoRL2029,josamycin,"6-[(6-{[4-(acetyloxy)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-12,14-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl)oxy]-4-hydroxy-2,4-dimethyloxan-3-yl 3-methylbutanoate",COC1C(OC(C)=O)CC(=O)OC(C)C=CC=CCC(O)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(OC(=O)CC(C)C)C(C)O2)C(N(C)C)C1O,"InChI=1/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-15,18,23-27,29-31,34-41,46,49-50H,16-17,19-22H2,1-11H3",PDCICSSHRGGICK-UHFFFAOYNA-N,C42H69NO15,Not Found,828.006,3.216376125,3,13,14,3,23S rRNA of the large ribosomal subunit from Deinococcus Radiodurans,"josamycin inhibits protein biosynthesis in bacteria by blocking the ribosomal tunnel at a specific site, composed of nucleotides of domain V of the 23S rRNA.",10.1351/pac200779060955,,,,,,"Pyetan, Erez, et al. ""Chemical parameters influencing fine-tuning in the binding of macrolide antibiotics to the ribosomal tunnel."" Pure and applied chemistry 79.6 (2007): 955-968.",,,,,,https://doi.org/10.1351/pac200779060955,,,,,,Not Found,No,No,,,,
DBoRL2030,Lividomycin B,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)CC3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N5O13/c24-3-10-15(33)16(34)13(28)22(36-10)40-19-12(5-30)38-23(17(19)35)41-20-14(32)6(25)1-7(26)18(20)39-21-8(27)2-9(31)11(4-29)37-21/h6-23,29-35H,1-5,24-28H2",BRSBFYLXCMGALM-UHFFFAOYNA-N,C23H45N5O13,Not Found,599.635,-7.618001268,12,18,9,4,Bacterial ribosomal A-site,"Lividomycin B (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,216713,Yes,No,Experimental,DB04728,https://go.drugbank.com/drugs/DB04728,This is the isomeric form of the drug approved by USFDA.
DBoRL2031,Perazidoparomomycin derivative 1,"5-amino-6-({4,6-diamino-2-[(4-{[6-(aminomethyl)-4,5-dihydroxyoxan-3-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-[(dimethylamino)methyl]oxane-3,4-diol",CN(C)CC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3COC(CN)C(O)C3O)C2O)C(N)C(O)C1O,"InChI=1/C25H49N5O13/c1-30(2)5-11-17(34)19(36)14(29)24(40-11)42-21-9(28)3-8(27)15(32)23(21)43-25-20(37)22(12(6-31)41-25)39-13-7-38-10(4-26)16(33)18(13)35/h8-25,31-37H,3-7,26-29H2,1-2H3",AAFJAQYKJVXZTE-UHFFFAOYNA-N,C25H49N5O13,Not Found,627.689,-7.128443677,11,18,10,4,Bacterial ribosomal A-site,"Perazidoparomomycin derivative 1 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2032,Perazidoparomomycin derivative 10,"5-amino-6-({4,6-diamino-2-[(4-{[6-(aminomethyl)-4,5-dihydroxyoxan-3-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-{[(2-phenylethyl)amino]methyl}oxane-3,4-diol",NCC1OCC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CNCCc4ccccc4)C(O)C(O)C3N)C2O)C(O)C1O,"InChI=1/C31H53N5O13/c32-9-16-22(39)24(41)19(12-44-16)45-28-18(11-37)47-31(26(28)43)49-29-21(38)14(33)8-15(34)27(29)48-30-20(35)25(42)23(40)17(46-30)10-36-7-6-13-4-2-1-3-5-13/h1-5,14-31,36-43H,6-12,32-35H2",VKALSHRNBBHZMH-UHFFFAOYNA-N,C31H53N5O13,Not Found,703.787,-5.498357292,12,18,13,5,Bacterial ribosomal A-site,"Perazidoparomomycin derivative 10 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2033,Perazidoparomomycin derivative 11,"5-amino-6-({4,6-diamino-2-[(4-{[6-(aminomethyl)-4,5-dihydroxyoxan-3-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-{[methyl(2-phenylethyl)amino]methyl}oxane-3,4-diol",CN(CCc1ccccc1)CC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3COC(CN)C(O)C3O)C2O)C(N)C(O)C1O,"InChI=1/C32H55N5O13/c1-37(8-7-14-5-3-2-4-6-14)11-18-24(41)26(43)21(36)31(47-18)49-28-16(35)9-15(34)22(39)30(28)50-32-27(44)29(19(12-38)48-32)46-20-13-45-17(10-33)23(40)25(20)42/h2-6,15-32,38-44H,7-13,33-36H2,1H3",KODFKPQIZHVGAW-UHFFFAOYNA-N,C32H55N5O13,Not Found,717.814,-5.115309354,11,18,13,5,Bacterial ribosomal A-site,"Perazidoparomomycin derivative 11 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2034,Perazidoparomomycin derivative 12,"5-amino-6-({4,6-diamino-2-[(4-{[6-(aminomethyl)-4,5-dihydroxyoxan-3-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-{[(3-phenylpropyl)amino]methyl}oxane-3,4-diol",NCC1OCC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CNCCCc4ccccc4)C(O)C(O)C3N)C2O)C(O)C1O,"InChI=1/C32H55N5O13/c33-10-17-23(40)25(42)20(13-45-17)46-29-19(12-38)48-32(27(29)44)50-30-22(39)15(34)9-16(35)28(30)49-31-21(36)26(43)24(41)18(47-31)11-37-8-4-7-14-5-2-1-3-6-14/h1-3,5-6,15-32,37-44H,4,7-13,33-36H2",JHAMTLPTUMYPDA-UHFFFAOYNA-N,C32H55N5O13,Not Found,717.814,-5.053788627,12,18,14,5,Bacterial ribosomal A-site,"Perazidoparomomycin derivative 12 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2035,Perazidoparomomycin derivative 13,"5-amino-2-({[2-(4-cyclohexylphenyl)ethyl]amino}methyl)-6-({4,6-diamino-2-[(4-{[6-(aminomethyl)-4,5-dihydroxyoxan-3-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)oxane-3,4-diol",NCC1OCC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CNCCc4ccc(C5CCCCC5)cc4)C(O)C(O)C3N)C2O)C(O)C1O,"InChI=1/C37H63N5O13/c38-13-22-28(45)30(47)25(16-50-22)51-34-24(15-43)53-37(32(34)49)55-35-27(44)20(39)12-21(40)33(35)54-36-26(41)31(48)29(46)23(52-36)14-42-11-10-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h6-9,18,20-37,42-49H,1-5,10-16,38-41H2",AQRFWQJLAZWRJJ-UHFFFAOYNA-N,C37H63N5O13,Not Found,785.933,-3.383368049,12,18,14,6,Bacterial ribosomal A-site,"Perazidoparomomycin derivative 13 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2036,Perazidoparomomycin derivative 14,"5-amino-6-({4,6-diamino-2-[(4-{[6-(aminomethyl)-4,5-dihydroxyoxan-3-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-({[2-(2-methoxyphenyl)ethyl]amino}methyl)oxane-3,4-diol",COc1ccccc1CCNCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3COC(CN)C(O)C3O)C2O)C(N)C(O)C1O,"InChI=1/C32H55N5O14/c1-45-16-5-3-2-4-13(16)6-7-37-10-18-24(41)26(43)21(36)31(48-18)50-28-15(35)8-14(34)22(39)30(28)51-32-27(44)29(19(11-38)49-32)47-20-12-46-17(9-33)23(40)25(20)42/h2-5,14-15,17-32,37-44H,6-12,33-36H2,1H3",HONXPQJQVRXWJF-UHFFFAOYNA-N,C32H55N5O14,Not Found,733.813,-5.656028557,12,19,14,5,Bacterial ribosomal A-site,"Perazidoparomomycin derivative 14 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2037,Perazidoparomomycin derivative 15,"5-amino-6-({4,6-diamino-2-[(4-{[6-(aminomethyl)-4,5-dihydroxyoxan-3-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-({[2-(4-fluorophenyl)ethyl]amino}methyl)oxane-3,4-diol",NCC1OCC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CNCCc4ccc(F)cc4)C(O)C(O)C3N)C2O)C(O)C1O,"InChI=1/C31H52FN5O13/c32-13-3-1-12(2-4-13)5-6-37-9-17-23(41)25(43)20(36)30(47-17)49-27-15(35)7-14(34)21(39)29(27)50-31-26(44)28(18(10-38)48-31)46-19-11-45-16(8-33)22(40)24(19)42/h1-4,14-31,37-44H,5-11,33-36H2",CFFFEHJSUJMOOT-UHFFFAOYNA-N,C31H52FN5O13,Not Found,721.777,-5.355655355,12,18,13,5,Bacterial ribosomal A-site,"Perazidoparomomycin derivative 15 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2038,Perazidoparomomycin derivative 16,"5-amino-6-({4,6-diamino-2-[(4-{[6-(aminomethyl)-4,5-dihydroxyoxan-3-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-{[(1-phenylpropan-2-yl)amino]methyl}oxane-3,4-diol",CC(Cc1ccccc1)NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3COC(CN)C(O)C3O)C2O)C(N)C(O)C1O,"InChI=1/C32H55N5O13/c1-13(7-14-5-3-2-4-6-14)37-10-18-24(41)26(43)21(36)31(47-18)49-28-16(35)8-15(34)22(39)30(28)50-32-27(44)29(19(11-38)48-32)46-20-12-45-17(9-33)23(40)25(20)42/h2-6,13,15-32,37-44H,7-12,33-36H2,1H3",AYNFFWUGWZMRQA-UHFFFAOYNA-N,C32H55N5O13,Not Found,717.814,-5.081782267,12,18,13,5,Bacterial ribosomal A-site,"Perazidoparomomycin derivative 16 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2039,Perazidoparomomycin derivative 17,"5-amino-6-({4,6-diamino-2-[(4-{[6-(aminomethyl)-4,5-dihydroxyoxan-3-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-[({2-[4-(trifluoromethyl)phenyl]ethyl}amino)methyl]oxane-3,4-diol",NCC1OCC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CNCCc4ccc(C(F)(F)F)cc4)C(O)C(O)C3N)C2O)C(O)C1O,"InChI=1/C32H52F3N5O13/c33-32(34,35)13-3-1-12(2-4-13)5-6-40-9-17-23(44)25(46)20(39)30(50-17)52-27-15(38)7-14(37)21(42)29(27)53-31-26(47)28(18(10-41)51-31)49-19-11-48-16(8-36)22(43)24(19)45/h1-4,14-31,40-47H,5-11,36-39H2",SLDSNXWXNXBCRE-UHFFFAOYNA-N,C32H52F3N5O13,Not Found,771.785,-4.62050881,12,18,14,5,Bacterial ribosomal A-site,"Perazidoparomomycin derivative 17 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2040,Perazidoparomomycin derivative 18,"5-amino-6-({4,6-diamino-2-[(4-{[6-(aminomethyl)-4,5-dihydroxyoxan-3-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-({[2-(4-methoxyphenyl)ethyl]amino}methyl)oxane-3,4-diol",COc1ccc(CCNCC2OC(OC3C(N)CC(N)C(O)C3OC3OC(CO)C(OC4COC(CN)C(O)C4O)C3O)C(N)C(O)C2O)cc1,"InChI=1/C32H55N5O14/c1-45-14-4-2-13(3-5-14)6-7-37-10-18-24(41)26(43)21(36)31(48-18)50-28-16(35)8-15(34)22(39)30(28)51-32-27(44)29(19(11-38)49-32)47-20-12-46-17(9-33)23(40)25(20)42/h2-5,15-32,37-44H,6-12,33-36H2,1H3",ZBPFXYJJFOFCDQ-UHFFFAOYNA-N,C32H55N5O14,Not Found,733.813,-5.656028557,12,19,14,5,Bacterial ribosomal A-site,"Perazidoparomomycin derivative 18 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2041,Perazidoparomomycin derivative 19,"5-amino-6-({4,6-diamino-2-[(4-{[6-(aminomethyl)-4,5-dihydroxyoxan-3-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-[(octahydro-1H-isoindol-2-yl)methyl]oxane-3,4-diol",NCC1OCC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN4CC5CCCCC5C4)C(O)C(O)C3N)C2O)C(O)C1O,"InChI=1/C31H57N5O13/c32-6-16-22(39)24(41)19(11-44-16)45-28-18(10-37)47-31(26(28)43)49-29-21(38)14(33)5-15(34)27(29)48-30-20(35)25(42)23(40)17(46-30)9-36-7-12-3-1-2-4-13(12)8-36/h12-31,37-43H,1-11,32-35H2",LAOFDMJAKNSMKS-UHFFFAOYNA-N,C31H57N5O13,Not Found,707.819,-5.56728913,11,18,10,6,Bacterial ribosomal A-site,"Perazidoparomomycin derivative 19 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2042,Perazidoparomomycin derivative 2,"5-amino-2-{[(3-aminopropyl)amino]methyl}-6-({4,6-diamino-2-[(4-{[6-(aminomethyl)-4,5-dihydroxyoxan-3-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)oxane-3,4-diol",NCCCNCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3COC(CN)C(O)C3O)C2O)C(N)C(O)C1O,"InChI=1/C26H52N6O13/c27-2-1-3-32-6-12-18(36)20(38)15(31)25(42-12)44-22-10(30)4-9(29)16(34)24(22)45-26-21(39)23(13(7-33)43-26)41-14-8-40-11(5-28)17(35)19(14)37/h9-26,32-39H,1-8,27-31H2",VEOAQNBMBWPZFI-UHFFFAOYNA-N,C26H52N6O13,Not Found,656.731,-8.248515684,13,19,13,4,Bacterial ribosomal A-site,"Perazidoparomomycin derivative 2 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2043,Perazidoparomomycin derivative 20,"5-amino-6-({4,6-diamino-2-[(4-{[6-(aminomethyl)-4,5-dihydroxyoxan-3-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-{[(1-hydroxy-1-phenylpropan-2-yl)amino]methyl}oxane-3,4-diol",CC(NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3COC(CN)C(O)C3O)C2O)C(N)C(O)C1O)C(O)c1ccccc1,"InChI=1/C32H55N5O14/c1-12(21(39)13-5-3-2-4-6-13)37-9-17-24(42)26(44)20(36)31(48-17)50-28-15(35)7-14(34)22(40)30(28)51-32-27(45)29(18(10-38)49-32)47-19-11-46-16(8-33)23(41)25(19)43/h2-6,12,14-32,37-45H,7-11,33-36H2,1H3",SCKKWLPZCXQVBS-UHFFFAOYNA-N,C32H55N5O14,Not Found,733.813,-6.000778414,13,19,13,5,Bacterial ribosomal A-site,"Perazidoparomomycin derivative 20 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2044,Perazidoparomomycin derivative 21,"5-amino-6-({4,6-diamino-2-[(4-{[6-(aminomethyl)-4,5-dihydroxyoxan-3-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-[({2-[3-(trifluoromethyl)phenyl]ethyl}amino)methyl]oxane-3,4-diol",NCC1OCC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CNCCc4cccc(C(F)(F)F)c4)C(O)C(O)C3N)C2O)C(O)C1O,"InChI=1/C32H52F3N5O13/c33-32(34,35)13-3-1-2-12(6-13)4-5-40-9-17-23(44)25(46)20(39)30(50-17)52-27-15(38)7-14(37)21(42)29(27)53-31-26(47)28(18(10-41)51-31)49-19-11-48-16(8-36)22(43)24(19)45/h1-3,6,14-31,40-47H,4-5,7-11,36-39H2",FQFCRUGFDILSBJ-UHFFFAOYNA-N,C32H52F3N5O13,Not Found,771.785,-4.62050881,12,18,14,5,Bacterial ribosomal A-site,"Perazidoparomomycin derivative 21 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2045,Perazidoparomomycin derivative 22,"5-amino-6-({4,6-diamino-2-[(4-{[6-(aminomethyl)-4,5-dihydroxyoxan-3-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-({[2-(3-methoxyphenyl)ethyl]amino}methyl)oxane-3,4-diol",COc1cccc(CCNCC2OC(OC3C(N)CC(N)C(O)C3OC3OC(CO)C(OC4COC(CN)C(O)C4O)C3O)C(N)C(O)C2O)c1,"InChI=1/C32H55N5O14/c1-45-14-4-2-3-13(7-14)5-6-37-10-18-24(41)26(43)21(36)31(48-18)50-28-16(35)8-15(34)22(39)30(28)51-32-27(44)29(19(11-38)49-32)47-20-12-46-17(9-33)23(40)25(20)42/h2-4,7,15-32,37-44H,5-6,8-12,33-36H2,1H3",JJNAVRVIXUGSPN-UHFFFAOYNA-N,C32H55N5O14,Not Found,733.813,-5.656028557,12,19,14,5,Bacterial ribosomal A-site,"Perazidoparomomycin derivative 22 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2046,Perazidoparomomycin derivative 23,"5-amino-6-({4,6-diamino-2-[(4-{[6-(aminomethyl)-4,5-dihydroxyoxan-3-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-[2-(octahydro-1H-isoindol-2-yl)ethyl]oxane-3,4-diol",NCC1OCC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CCN4CC5CCCCC5C4)C(O)C(O)C3N)C2O)C(O)C1O,"InChI=1/C32H59N5O13/c33-8-18-24(41)25(42)20(12-45-18)46-29-19(11-38)48-32(27(29)44)50-30-22(39)15(34)7-16(35)28(30)49-31-21(36)26(43)23(40)17(47-31)5-6-37-9-13-3-1-2-4-14(13)10-37/h13-32,38-44H,1-12,33-36H2",CNDXHVNJTPWYQD-UHFFFAOYNA-N,C32H59N5O13,Not Found,721.846,-5.507329391,11,18,11,6,Bacterial ribosomal A-site,"Perazidoparomomycin derivative 23 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2047,Perazidoparomomycin derivative 24,"5-amino-6-({4,6-diamino-2-[(4-{[6-(aminomethyl)-4,5-dihydroxyoxan-3-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-({[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino}methyl)oxane-3,4-diol",NCC1OCC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CNCCc4ccc5c(c4)CCCC5)C(O)C(O)C3N)C2O)C(O)C1O,"InChI=1/C35H59N5O13/c36-11-20-26(43)28(45)23(14-48-20)49-32-22(13-41)51-35(30(32)47)53-33-25(42)18(37)10-19(38)31(33)52-34-24(39)29(46)27(44)21(50-34)12-40-8-7-15-5-6-16-3-1-2-4-17(16)9-15/h5-6,9,18-35,40-47H,1-4,7-8,10-14,36-39H2",IZYGFOKCTNFJIM-UHFFFAOYNA-N,C35H59N5O13,Not Found,757.879,-4.046103086,12,18,13,6,Bacterial ribosomal A-site,"Perazidoparomomycin derivative 24 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2048,Perazidoparomomycin derivative 25,"5-amino-6-({4,6-diamino-2-[(4-{[6-(aminomethyl)-4,5-dihydroxyoxan-3-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-({[2-(piperidin-4-yl)ethyl]amino}methyl)oxane-3,4-diol",NCC1OCC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CNCCC4CCNCC4)C(O)C(O)C3N)C2O)C(O)C1O,"InChI=1/C30H58N6O13/c31-8-15-21(39)23(41)18(11-44-15)45-27-17(10-37)47-30(25(27)43)49-28-20(38)13(32)7-14(33)26(28)48-29-19(34)24(42)22(40)16(46-29)9-36-6-3-12-1-4-35-5-2-12/h12-30,35-43H,1-11,31-34H2",ANKCBQAADZQVAS-UHFFFAOYNA-N,C30H58N6O13,Not Found,710.823,-7.040517741,13,19,13,5,Bacterial ribosomal A-site,"Perazidoparomomycin derivative 25 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2049,Perazidoparomomycin derivative 26,"5-amino-6-({4,6-diamino-2-[(4-{[6-(aminomethyl)-4,5-dihydroxyoxan-3-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-({[2-(piperidin-3-yl)ethyl]amino}methyl)oxane-3,4-diol",NCC1OCC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CNCCC4CCCNC4)C(O)C(O)C3N)C2O)C(O)C1O,"InChI=1/C30H58N6O13/c31-7-15-21(39)23(41)18(11-44-15)45-27-17(10-37)47-30(25(27)43)49-28-20(38)13(32)6-14(33)26(28)48-29-19(34)24(42)22(40)16(46-29)9-36-5-3-12-2-1-4-35-8-12/h12-30,35-43H,1-11,31-34H2",JRYQPKRWVLGTNV-UHFFFAOYNA-N,C30H58N6O13,Not Found,710.823,-7.12723198,13,19,13,5,Bacterial ribosomal A-site,"Perazidoparomomycin derivative 26 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2050,Perazidoparomomycin derivative 27,"5-amino-6-({4,6-diamino-2-[(4-{[6-(aminomethyl)-4,5-dihydroxyoxan-3-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-({[2-(piperidin-2-yl)ethyl]amino}methyl)oxane-3,4-diol",NCC1OCC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CNCCC4CCCCN4)C(O)C(O)C3N)C2O)C(O)C1O,"InChI=1/C30H58N6O13/c31-8-15-21(39)23(41)18(11-44-15)45-27-17(10-37)47-30(25(27)43)49-28-20(38)13(32)7-14(33)26(28)48-29-19(34)24(42)22(40)16(46-29)9-35-6-4-12-3-1-2-5-36-12/h12-30,35-43H,1-11,31-34H2",JWQGRGJZTBMJOL-UHFFFAOYNA-N,C30H58N6O13,Not Found,710.823,-6.905802088,13,19,13,5,Bacterial ribosomal A-site,"Perazidoparomomycin derivative 27 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2051,Perazidoparomomycin derivative 3,"5-amino-6-({4,6-diamino-2-[(4-{[6-(aminomethyl)-4,5-dihydroxyoxan-3-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-[2-(morpholin-4-yl)ethyl]oxane-3,4-diol",NCC1OCC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CCN4CCOCC4)C(O)C(O)C3N)C2O)C(O)C1O,"InChI=1/C28H53N5O14/c29-8-14-20(37)21(38)16(10-42-14)43-25-15(9-34)45-28(23(25)40)47-26-18(35)11(30)7-12(31)24(26)46-27-17(32)22(39)19(36)13(44-27)1-2-33-3-5-41-6-4-33/h11-28,34-40H,1-10,29-32H2",QZLRMNWGPQOXCL-UHFFFAOYNA-N,C28H53N5O14,Not Found,683.753,-7.286984389,11,19,11,5,Bacterial ribosomal A-site,"Perazidoparomomycin derivative 3 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2052,Perazidoparomomycin derivative 4,"N'-{[5-amino-6-({4,6-diamino-2-[(4-{[6-(aminomethyl)-4,5-dihydroxyoxan-3-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-3,4-dihydroxyoxan-2-yl]methyl}(tert-butoxy)carbohydrazide",CC(C)(C)OC(=O)NNCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3COC(CN)C(O)C3O)C2O)C(N)C(O)C1O,"InChI=1/C28H54N6O15/c1-28(2,3)49-27(42)34-33-6-12-18(38)20(40)15(32)25(45-12)47-22-10(31)4-9(30)16(36)24(22)48-26-21(41)23(13(7-35)46-26)44-14-8-43-11(5-29)17(37)19(14)39/h9-26,33,35-41H,4-8,29-32H2,1-3H3,(H,34,42)",CGMRZQPOIHANPF-UHFFFAOYNA-N,C28H54N6O15,Not Found,714.767,-6.748450314,13,19,13,4,Bacterial ribosomal A-site,"Perazidoparomomycin derivative 4 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2053,Perazidoparomomycin derivative 5,"5-amino-6-({4,6-diamino-2-[(4-{[6-(aminomethyl)-4,5-dihydroxyoxan-3-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-[(methylamino)methyl]oxane-3,4-diol",CNCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3COC(CN)C(O)C3O)C2O)C(N)C(O)C1O,"InChI=1/C24H47N5O13/c1-29-4-10-16(33)18(35)13(28)23(39-10)41-20-8(27)2-7(26)14(31)22(20)42-24-19(36)21(11(5-30)40-24)38-12-6-37-9(3-25)15(32)17(12)34/h7-24,29-36H,2-6,25-28H2,1H3",DHIXFEHSVVTUFJ-UHFFFAOYNA-N,C24H47N5O13,Not Found,613.662,-7.511491614,12,18,10,4,Bacterial ribosomal A-site,"Perazidoparomomycin derivative 5 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2054,Perazidoparomomycin derivative 6,"5-amino-2-{[(4-aminobutyl)amino]methyl}-6-({4,6-diamino-2-[(4-{[6-(aminomethyl)-4,5-dihydroxyoxan-3-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)oxane-3,4-diol",NCCCCNCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3COC(CN)C(O)C3O)C2O)C(N)C(O)C1O,"InChI=1/C27H54N6O13/c28-3-1-2-4-33-7-13-19(37)21(39)16(32)26(43-13)45-23-11(31)5-10(30)17(35)25(23)46-27-22(40)24(14(8-34)44-27)42-15-9-41-12(6-29)18(36)20(15)38/h10-27,33-40H,1-9,28-32H2",ZYLJZQRWDAKOOF-UHFFFAOYNA-N,C27H54N6O13,Not Found,670.758,-7.731153013,13,19,14,4,Bacterial ribosomal A-site,"Perazidoparomomycin derivative 6 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2055,Perazidoparomomycin derivative 7,"5-amino-6-({4,6-diamino-2-[(4-{[6-(aminomethyl)-4,5-dihydroxyoxan-3-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-({[2-(4-methylphenyl)ethyl]amino}methyl)oxane-3,4-diol",Cc1ccc(CCNCC2OC(OC3C(N)CC(N)C(O)C3OC3OC(CO)C(OC4COC(CN)C(O)C4O)C3O)C(N)C(O)C2O)cc1,"InChI=1/C32H55N5O13/c1-13-2-4-14(5-3-13)6-7-37-10-18-24(41)26(43)21(36)31(47-18)49-28-16(35)8-15(34)22(39)30(28)50-32-27(44)29(19(11-38)48-32)46-20-12-45-17(9-33)23(40)25(20)42/h2-5,15-32,37-44H,6-12,33-36H2,1H3",DXPMSGZPISLAPV-UHFFFAOYNA-N,C32H55N5O13,Not Found,717.814,-4.984935902,12,18,13,5,Bacterial ribosomal A-site,"Perazidoparomomycin derivative 7 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2056,Perazidoparomomycin derivative 8,"5-amino-6-({4,6-diamino-2-[(4-{[6-(aminomethyl)-4,5-dihydroxyoxan-3-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-{[(2-methylpropyl)amino]methyl}oxane-3,4-diol",CC(C)CNCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3COC(CN)C(O)C3O)C2O)C(N)C(O)C1O,"InChI=1/C27H53N5O13/c1-9(2)5-32-6-13-19(36)21(38)16(31)26(42-13)44-23-11(30)3-10(29)17(34)25(23)45-27-22(39)24(14(7-33)43-27)41-15-8-40-12(4-28)18(35)20(15)37/h9-27,32-39H,3-8,28-31H2,1-2H3",OQJCHUZKDIUKON-UHFFFAOYNA-N,C27H53N5O13,Not Found,655.743,-6.267188438,12,18,12,4,Bacterial ribosomal A-site,"Perazidoparomomycin derivative 8 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2057,Perazidoparomomycin derivative 9,"5-amino-6-({4,6-diamino-2-[(4-{[6-(aminomethyl)-4,5-dihydroxyoxan-3-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-2-(hydrazinylmethyl)oxane-3,4-diol",NCC1OCC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CNN)C(O)C(O)C3N)C2O)C(O)C1O,"InChI=1/C23H46N6O13/c24-2-8-14(32)16(34)11(5-37-8)38-20-10(4-30)40-23(18(20)36)42-21-13(31)6(25)1-7(26)19(21)41-22-12(27)17(35)15(33)9(39-22)3-29-28/h6-23,29-36H,1-5,24-28H2",SUJPVWWWEOAWNP-UHFFFAOYNA-N,C23H46N6O13,Not Found,614.65,-8.128727422,13,19,10,4,Bacterial ribosomal A-site,"Perazidoparomomycin derivative 9 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2058,Phenyl ether paromomycin derivative 1,"5-amino-6-{[4,6-diamino-2-({4-[(3,6-diamino-4,5-dihydroxyoxan-2-yl)oxy]-5-(hydroxymethyl)-3-(2-phenylethoxy)oxolan-2-yl}oxy)-3-hydroxycyclohexyl]oxy}-2-(hydroxymethyl)oxane-3,4-diol",NC1CC(N)C(OC2OC(CO)C(O)C(O)C2N)C(OC2OC(CO)C(OC3OC(N)C(O)C(O)C3N)C2OCCc2ccccc2)C1O,"InChI=1/C30H51N5O14/c31-12-8-13(32)23(46-28-16(33)20(40)19(39)14(9-36)44-28)25(18(12)38)48-30-26(43-7-6-11-4-2-1-3-5-11)24(15(10-37)45-30)47-29-17(34)21(41)22(42)27(35)49-29/h1-5,12-30,36-42H,6-10,31-35H2",FFHHDRLZJZCOOC-UHFFFAOYNA-N,C30H51N5O14,Not Found,705.759,-5.385924123,12,19,12,5,Bacterial ribosomal A-site,"Phenyl ether paromomycin derivative 1 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,59664727,No,No,,,,
DBoRL2059,Phenyl ether paromomycin derivative 2,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-2-(hydroxymethyl)-4-[(5-phenylpentyl)oxy]oxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2OCCCCCc2ccccc2)C(N)C(O)C1O,"InChI=1/C34H59N5O14/c35-12-18-24(43)26(45)21(38)32(48-18)52-29-20(14-41)50-34(31(29)47-10-6-2-5-9-15-7-3-1-4-8-15)53-30-23(42)16(36)11-17(37)28(30)51-33-22(39)27(46)25(44)19(13-40)49-33/h1,3-4,7-8,16-34,40-46H,2,5-6,9-14,35-39H2",XJXOZRUDJHUFCJ-UHFFFAOYNA-N,C34H59N5O14,Not Found,761.867,-4.318329128,12,19,16,5,Bacterial ribosomal A-site,"Phenyl ether paromomycin derivative 2 (an aminoglycoside) binds to the A-site of the prokaryotic 16S ribosomal decoding region RNA. Binding of the compound to this RNA target interferes with the fidelity of mRNA translation and results in miscoding and truncation, leading ultimately to bacterial cell death.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2060,"Ru(2,2,2-terpyridine)(22 bipyridine) ",,O=[Ru]1234[N]5=CC=CCC5=C5CC=CC(C6=CC=CC=[N]16)=[N]25.C1=CC(C2=[N]3C=CC=C2)=[N]4C=C1,"InChI=1S/C15H13N3.C10H8N2.O.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h1-6,8,10-11H,7,9H2;1-8H;;",CLAMSBSCVXYAHN-UHFFFAOYSA-N,C25H21N5ORu,Not Found,508.55,,0,0,0,8,IRE coding ferritin,"Ru(2,2,2-terpyridine)(22 bipyridine), an oxidizing metal complex, cleaves functionally relevant sites in ferritin mRNA. ",10.1021/ic951094u,,,,,,"Cleavage of Functionally Relevant Sites in Ferritin mRNA by Oxidizing Metal Complexes
H. Holden Thorp, R. Ann McKenzie, Peng-Nian Lin, William E. Walden, and Elizabeth C. Theil
Inorganic Chemistry 1996 35 (10), 2773-2779
DOI: 10.1021/ic951094u ",,,,,,https://doi.org/10.1021/ic951094u,,,,,,Not Found,No,No,,,,
DBoRL2061,RU6,"10-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-8-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-11-methoxy-3a,7,9,11,13,15-hexamethyl-1-{4-[4-(pyridin-3-yl)-1H-imidazol-1-yl]butyl}-tetradecahydro-1H-oxacyclotetradeca[4,3-d][1,3]oxazole-2,6,14-trione",CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)OC12C,"InChI=1/C51H81N5O13/c1-15-38-51(10)43(56(48(61)69-51)22-17-16-21-55-27-36(53-28-55)35-19-18-20-52-26-35)31(4)40(57)29(2)24-50(9,63-14)45(68-47-41(58)37(54(11)12)23-30(3)64-47)32(5)42(33(6)46(60)66-38)67-39-25-49(8,62-13)44(59)34(7)65-39/h18-20,26-34,37-39,41-45,47,58-59H,15-17,21-25H2,1-14H3",LSUFMKOMGWIEMZ-UHFFFAOYNA-N,C51H81N5O13,Not Found,972.231,5.612677014,2,14,14,6,23S rRNA of the large ribosomal subunit from Deinococcus Radiodurans,"RU6 inhibits protein biosynthesis in bacteria by blocking the ribosomal tunnel at a specific site, composed of nucleotides of domain V of the 23S rRNA.",10.1351/pac200779060955,,,,,,"Pyetan, Erez, et al. ""Chemical parameters influencing fine-tuning in the binding of macrolide antibiotics to the ribosomal tunnel."" Pure and applied chemistry 79.6 (2007): 955-968.",,,,,,https://doi.org/10.1351/pac200779060955,,,,,,Not Found,No,No,,,,
DBoRL2062,Mesoporphyrin IX,"3-[20-(2-carboxyethyl)-10,15-diethyl-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1?,?.1?,??.1??,??]tetracosa-1(21),2,4,6(24),7,9,11,13,15,17,19-undecaen-4-yl]propanoic acid",CCc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3CC,"InChI=1S/C34H38N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h13-16,35-36H,7-12H2,1-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",NCAJWYASAWUEBY-UJJXFSCMSA-N,C34H38N4O4,Not Found,566.702,7.187871082,4,6,8,5,Aptamer,Small RNA molecule is responsible for catalysis of porphyrin metalation.,10.1021/ja961249c,,,,,,"Porphyrin Metalation Catalyzed by a Small RNA Molecule
M. Morgan Conn, James R. Prudent, and Peter G. Schultz
Journal of the American Chemical Society 1996 118 (29), 7012-7013
DOI: 10.1021/ja961249c ",,,,,,https://doi.org/10.1021/ja961249c,,,,,,72422,Yes,No,Investigational,DB04912,https://go.drugbank.com/drugs/DB04912,
DBoRL2063,Bis amidophenyl furans derivative 1,N-[3-(dimethylamino)propyl]-3-[5-(3-{N-[3-(dimethylamino)propyl]carbamimidoyl}phenyl)furan-2-yl]benzene-1-carboximidamide,CN(C)CCCNC(=N)c1cccc(-c2ccc(-c3cccc(C(=N)NCCCN(C)C)c3)o2)c1,"InChI=1S/C28H38N6O/c1-33(2)17-7-15-31-27(29)23-11-5-9-21(19-23)25-13-14-26(35-25)22-10-6-12-24(20-22)28(30)32-16-8-18-34(3)4/h5-6,9-14,19-20H,7-8,15-18H2,1-4H3,(H2,29,31)(H2,30,32)",NIOBXSSSVNOGBC-UHFFFAOYSA-N,C28H38N6O,Not Found,474.653,2.801308577,4,6,12,3,HIV RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Bis amidophenyl furans derivative 1 specifically binds with HIV RRE RNA & blocks Rev-RRE interaction, results the virus become unable to replicate.",Not Found,,,,,,"US005668165A, September 16,1997",,,,,,,,,,,,485809,No,No,,,,
DBoRL2064,Bis amidophenyl furans derivative 2,N-[3-(diethylamino)propyl]-3-[5-(3-{N-[3-(diethylamino)propyl]carbamimidoyl}phenyl)furan-2-yl]benzene-1-carboximidamide,CCN(CC)CCCNC(=N)c1cccc(-c2ccc(-c3cccc(C(=N)NCCCN(CC)CC)c3)o2)c1,"InChI=1S/C32H46N6O/c1-5-37(6-2)21-11-19-35-31(33)27-15-9-13-25(23-27)29-17-18-30(39-29)26-14-10-16-28(24-26)32(34)36-20-12-22-38(7-3)8-4/h9-10,13-18,23-24H,5-8,11-12,19-22H2,1-4H3,(H2,33,35)(H2,34,36)",SGSCUIRNTCMJIK-UHFFFAOYSA-N,C32H46N6O,Not Found,530.761,4.228540396,4,6,16,3,HIV RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Bis amidophenyl furans derivative 2 specifically binds with HIV RRE RNA & blocks Rev-RRE interaction, results the virus become unable to replicate.",Not Found,,,,,,"US005668165A, September 16,1997",,,,,,,,,,,,Not Found,No,No,,,,
DBoRL2065,Bis amidophenyl furans derivative 3,N-[4-(dimethylamino)butyl]-3-[5-(3-{N-[4-(dimethylamino)butyl]carbamimidoyl}phenyl)furan-2-yl]benzene-1-carboximidamide,CN(C)CCCCNC(=N)c1cccc(-c2ccc(-c3cccc(C(=N)NCCCCN(C)C)c3)o2)c1,"InChI=1S/C30H42N6O/c1-35(2)19-7-5-17-33-29(31)25-13-9-11-23(21-25)27-15-16-28(37-27)24-12-10-14-26(22-24)30(32)34-18-6-8-20-36(3)4/h9-16,21-22H,5-8,17-20H2,1-4H3,(H2,31,33)(H2,32,34)",HDYGRJDLOHNTKG-UHFFFAOYSA-N,C30H42N6O,Not Found,502.707,3.836033919,4,6,14,3,HIV RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Bis amidophenyl furans derivative 3 specifically binds with HIV RRE RNA & blocks Rev-RRE interaction, results the virus become unable to replicate.",Not Found,,,,,,"US005668165A, September 16,1997",,,,,,,,,,,,485987,No,No,,,,
DBoRL2066,Bis amidophenyl furans derivative 4,N-[6-(dimethylamino)hexyl]-3-[5-(3-{N-[6-(dimethylamino)hexyl]carbamimidoyl}phenyl)furan-2-yl]benzene-1-carboximidamide,CN(C)CCCCCCNC(=N)c1cccc(-c2ccc(-c3cccc(C(=N)NCCCCCCN(C)C)c3)o2)c1,"InChI=1S/C34H50N6O/c1-39(2)23-11-7-5-9-21-37-33(35)29-17-13-15-27(25-29)31-19-20-32(41-31)28-16-14-18-30(26-28)34(36)38-22-10-6-8-12-24-40(3)4/h13-20,25-26H,5-12,21-24H2,1-4H3,(H2,35,37)(H2,36,38)",QWFBRCZALJKRGT-UHFFFAOYSA-N,C34H50N6O,Not Found,558.815,5.614308579,4,6,18,3,HIV RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Bis amidophenyl furans derivative 4 specifically binds with HIV RRE RNA & blocks Rev-RRE interaction, results the virus become unable to replicate.",Not Found,,,,,,"US005668165A, September 16,1997",,,,,,,,,,,,54250194,No,No,,,,
DBoRL2067,Bis amidophenyl furans derivative 5,N-ethyl-3-{5-[3-(N-ethylcarbamimidoyl)phenyl]furan-2-yl}benzene-1-carboximidamide,CCNC(=N)c1cccc(-c2ccc(-c3cccc(C(=N)NCC)c3)o2)c1,"InChI=1S/C22H24N4O/c1-3-25-21(23)17-9-5-7-15(13-17)19-11-12-20(27-19)16-8-6-10-18(14-16)22(24)26-4-2/h5-14H,3-4H2,1-2H3,(H2,23,25)(H2,24,26)",KZUPEZIGEHUJJX-UHFFFAOYSA-N,C22H24N4O,Not Found,360.461,3.357715964,4,4,6,3,HIV RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Bis amidophenyl furans derivative 5 specifically binds with HIV RRE RNA & blocks Rev-RRE interaction, results the virus become unable to replicate.",Not Found,,,,,,"US005668165A, September 16,1997.",,,,,,,,,,,,Not Found,No,No,,,,
DBoRL2068,Bisamidophenyl thiophene derivative 1 ,N-[(pyridin-3-yl)methyl]-3-[5-(3-{N-[(pyridin-3-yl)methyl]carbamimidoyl}phenyl)thiophen-2-yl]benzene-1-carboximidamide,N=C(NCc1cccnc1)c1cccc(-c2ccc(-c3cccc(C(=N)NCc4cccnc4)c3)s2)c1,"InChI=1S/C30H26N6S/c31-29(35-19-21-5-3-13-33-17-21)25-9-1-7-23(15-25)27-11-12-28(37-27)24-8-2-10-26(16-24)30(32)36-20-22-6-4-14-34-18-22/h1-18H,19-20H2,(H2,31,35)(H2,32,36)",YNVHARBKSSAUOC-UHFFFAOYSA-N,C30H26N6S,Not Found,502.64,4.451307794,4,6,8,5,HIV RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Bisamidophenyl thiophene derivative 1  specifically binds with HIV RRE RNA & blocks Rev-RRE interaction, results the virus become unable to replicate.",Not Found,,,,,,"US005668165A, September 16,1997.",,,,,,,,,,,,Not Found,No,No,,,,
DBoRL2069,Bisamidophenyl thiophene derivative 10,3-(5-{3-[N-(morpholin-4-yl)carbamimidoyl]phenyl}thiophen-2-yl)-N-[2-(pyrrolidin-1-yl)ethyl]benzene-1-carboximidamide,N=C(NCCN1CCCC1)c1cccc(-c2ccc(-c3cccc(C(=N)NN4CCOCC4)c3)s2)c1,"InChI=1S/C28H34N6OS/c29-27(31-11-14-33-12-1-2-13-33)23-7-3-5-21(19-23)25-9-10-26(36-25)22-6-4-8-24(20-22)28(30)32-34-15-17-35-18-16-34/h3-10,19-20H,1-2,11-18H2,(H2,29,31)(H2,30,32)",JCWOVFPWHXIZTO-UHFFFAOYSA-N,C28H34N6OS,Not Found,502.68,3.300166342,4,7,8,5,HIV RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Bisamidophenyl thiophene derivative 10 specifically binds with HIV RRE RNA & blocks Rev-RRE interaction, results the virus become unable to replicate.",Not Found,,,,,,"US005668165A, September 16,1997.",,,,,,,,,,,,Not Found,No,No,,,,
DBoRL2070,Bisamidophenyl thiophene derivative 11,N-[3-(2-methylpiperidin-1-yl)propyl]-3-[5-(3-{N-[2-(pyrrolidin-1-yl)ethyl]carbamimidoyl}phenyl)thiophen-2-yl]benzene-1-carboximidamide,CC1CCCCN1CCCNC(=N)c1cccc(-c2ccc(-c3cccc(C(=N)NCCN4CCCC4)c3)s2)c1,"InChI=1/C33H44N6S/c1-25-9-2-3-20-39(25)21-8-16-36-32(34)28-12-6-10-26(23-28)30-14-15-31(40-30)27-11-7-13-29(24-27)33(35)37-17-22-38-18-4-5-19-38/h6-7,10-15,23-25H,2-5,8-9,16-22H2,1H3,(H2,34,36)(H2,35,37)",WMZHDPHBHCIPTP-UHFFFAOYNA-N,C33H44N6S,Not Found,556.82,5.20769382,4,6,11,5,HIV RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Bisamidophenyl thiophene derivative 11 specifically binds with HIV RRE RNA & blocks Rev-RRE interaction, results the virus become unable to replicate.",Not Found,,,,,,"US005668165A, September 16,1997.",,,,,,,,,,,,Not Found,No,No,,,,
DBoRL2071,Bisamidophenyl thiophene derivative 12,N-[3-(2-methylpiperidin-1-yl)propyl]-3-(5-{3-[N-(morpholin-4-yl)carbamimidoyl]phenyl}thiophen-2-yl)benzene-1-carboximidamide,CC1CCCCN1CCCNC(=N)c1cccc(-c2ccc(-c3cccc(C(=N)NN4CCOCC4)c3)s2)c1,"InChI=1/C31H40N6OS/c1-23-7-2-3-15-36(23)16-6-14-34-30(32)26-10-4-8-24(21-26)28-12-13-29(39-28)25-9-5-11-27(22-25)31(33)35-37-17-19-38-20-18-37/h4-5,8-13,21-23H,2-3,6-7,14-20H2,1H3,(H2,32,34)(H2,33,35)",BKUKPBXVQQYUMU-UHFFFAOYNA-N,C31H40N6OS,Not Found,544.76,4.22126977,4,7,9,5,HIV RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Bisamidophenyl thiophene derivative 12 specifically binds with HIV RRE RNA & blocks Rev-RRE interaction, results the virus become unable to replicate.",Not Found,,,,,,"US005668165A, September 16,1997.",,,,,,,,,,,,Not Found,No,No,,,,
DBoRL2072,Bisamidophenyl thiophene derivative 2,N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-[5-(3-{N-[2-(1-methylpyrrolidin-2-yl)ethyl]carbamimidoyl}phenyl)thiophen-2-yl]benzene-1-carboximidamide,CN1CCCC1CCNC(=N)c1cccc(-c2ccc(-c3cccc(C(=N)NCCC4CCCN4C)c3)s2)c1,"InChI=1/C32H42N6S/c1-37-19-5-11-27(37)15-17-35-31(33)25-9-3-7-23(21-25)29-13-14-30(39-29)24-8-4-10-26(22-24)32(34)36-18-16-28-12-6-20-38(28)2/h3-4,7-10,13-14,21-22,27-28H,5-6,11-12,15-20H2,1-2H3,(H2,33,35)(H2,34,36)",ZJNZKUZKRDCRLF-UHFFFAOYNA-N,C32H42N6S,Not Found,542.79,4.526044009,4,6,10,5,HIV RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Bisamidophenyl thiophene derivative 2 specifically binds with HIV RRE RNA & blocks Rev-RRE interaction, results the virus become unable to replicate.",Not Found,,,,,,"US005668165A, September 16,1997.",,,,,,,,,,,,54550482,No,No,,,,
DBoRL2073,Bisamidophenyl thiophene derivative 3,N-[3-(diethylamino)propyl]-3-[5-(3-{N-[3-(diethylamino)propyl]carbamimidoyl}phenyl)thiophen-2-yl]benzene-1-carboximidamide,CCN(CC)CCCNC(=N)c1cccc(-c2ccc(-c3cccc(C(=N)NCCCN(CC)CC)c3)s2)c1,"InChI=1S/C32H46N6S/c1-5-37(6-2)21-11-19-35-31(33)27-15-9-13-25(23-27)29-17-18-30(39-29)26-14-10-16-28(24-26)32(34)36-20-12-22-38(7-3)8-4/h9-10,13-18,23-24H,5-8,11-12,19-22H2,1-4H3,(H2,33,35)(H2,34,36)",QBIFBXFJBCSJCU-UHFFFAOYSA-N,C32H46N6S,Not Found,546.82,5.022146754,4,6,16,3,HIV RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Bisamidophenyl thiophene derivative 3 specifically binds with HIV RRE RNA & blocks Rev-RRE interaction, results the virus become unable to replicate.",Not Found,,,,,,"US005668165A, September 16,1997.",,,,,,,,,,,,54219182,No,No,,,,
DBoRL2074,Bisamidophenyl thiophene derivative 4,N-[2-(pyrrolidin-1-yl)ethyl]-3-[5-(3-{N-[2-(pyrrolidin-1-yl)ethyl]carbamimidoyl}phenyl)thiophen-2-yl]benzene-1-carboximidamide,N=C(NCCN1CCCC1)c1cccc(-c2ccc(-c3cccc(C(=N)NCCN4CCCC4)c3)s2)c1,"InChI=1S/C30H38N6S/c31-29(33-13-19-35-15-1-2-16-35)25-9-5-7-23(21-25)27-11-12-28(37-27)24-8-6-10-26(22-24)30(32)34-14-20-36-17-3-4-18-36/h5-12,21-22H,1-4,13-20H2,(H2,31,33)(H2,32,34)",SWTPXERIFXWUKY-UHFFFAOYSA-N,C30H38N6S,Not Found,514.74,4.286590391,4,6,10,5,HIV RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Bisamidophenyl thiophene derivative 4 specifically binds with HIV RRE RNA & blocks Rev-RRE interaction, results the virus become unable to replicate.",Not Found,,,,,,"US005668165A, September 16,1997.",,,,,,,,,,,,19362133,No,No,,,,
DBoRL2075,Bisamidophenyl thiophene derivative 5,N-(morpholin-4-yl)-3-(5-{3-[N-(morpholin-4-yl)carbamimidoyl]phenyl}thiophen-2-yl)benzene-1-carboximidamide,N=C(NN1CCOCC1)c1cccc(-c2ccc(-c3cccc(C(=N)NN4CCOCC4)c3)s2)c1,"InChI=1S/C26H30N6O2S/c27-25(29-31-9-13-33-14-10-31)21-5-1-3-19(17-21)23-7-8-24(35-23)20-4-2-6-22(18-20)26(28)30-32-11-15-34-16-12-32/h1-8,17-18H,9-16H2,(H2,27,29)(H2,28,30)",CNDGSWQENATGMQ-UHFFFAOYSA-N,C26H30N6O2S,Not Found,490.63,2.313742292,4,8,6,5,HIV RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Bisamidophenyl thiophene derivative 5 specifically binds with HIV RRE RNA & blocks Rev-RRE interaction, results the virus become unable to replicate.",Not Found,,,,,,"US005668165A, September 16,1997.",,,,,,,,,,,,140383145,No,No,,,,
DBoRL2076,Bisamidophenyl thiophene derivative 6,N-[3-(2-methylpiperidin-1-yl)propyl]-3-[5-(3-{N-[3-(2-methylpiperidin-1-yl)propyl]carbamimidoyl}phenyl)thiophen-2-yl]benzene-1-carboximidamide,CC1CCCCN1CCCNC(=N)c1cccc(-c2ccc(-c3cccc(C(=N)NCCCN4CCCCC4C)c3)s2)c1,"InChI=1/C36H50N6S/c1-27-11-3-5-21-41(27)23-9-19-39-35(37)31-15-7-13-29(25-31)33-17-18-34(43-33)30-14-8-16-32(26-30)36(38)40-20-10-24-42-22-6-4-12-28(42)2/h7-8,13-18,25-28H,3-6,9-12,19-24H2,1-2H3,(H2,37,39)(H2,38,40)",MHGLFXVVEWQIQO-UHFFFAOYNA-N,C36H50N6S,Not Found,598.9,6.128797248,4,6,12,5,HIV RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Bisamidophenyl thiophene derivative 6 specifically binds with HIV RRE RNA & blocks Rev-RRE interaction, results the virus become unable to replicate.",Not Found,,,,,,"US005668165A, September 16,1997.",,,,,,,,,,,,54072247,No,No,,,,
DBoRL2077,Bisamidophenyl thiophene derivative 7,N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-[5-(3-{N-[(pyridin-3-yl)methyl]carbamimidoyl}phenyl)thiophen-2-yl]benzene-1-carboximidamide,CN1CCCC1CCNC(=N)c1cccc(-c2ccc(-c3cccc(C(=N)NCc4cccnc4)c3)s2)c1,"InChI=1/C31H34N6S/c1-37-17-5-11-27(37)14-16-35-30(32)25-9-2-7-23(18-25)28-12-13-29(38-28)24-8-3-10-26(19-24)31(33)36-21-22-6-4-15-34-20-22/h2-4,6-10,12-13,15,18-20,27H,5,11,14,16-17,21H2,1H3,(H2,32,35)(H2,33,36)",AWTAYHXIENPXAP-UHFFFAOYNA-N,C31H34N6S,Not Found,522.72,4.488675901,4,6,9,5,HIV RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Bisamidophenyl thiophene derivative 7 specifically binds with HIV RRE RNA & blocks Rev-RRE interaction, results the virus become unable to replicate.",Not Found,,,,,,"US005668165A, September 16,1997.",,,,,,,,,,,,9849647,No,No,,,,
DBoRL2078,Bisamidophenyl thiophene derivative 8,N-[3-(diethylamino)propyl]-3-[5-(3-{N-[(pyridin-3-yl)methyl]carbamimidoyl}phenyl)thiophen-2-yl]benzene-1-carboximidamide,CCN(CC)CCCNC(=N)c1cccc(-c2ccc(-c3cccc(C(=N)NCc4cccnc4)c3)s2)c1,"InChI=1S/C31H36N6S/c1-3-37(4-2)18-8-17-35-30(32)26-12-5-10-24(19-26)28-14-15-29(38-28)25-11-6-13-27(20-25)31(33)36-22-23-9-7-16-34-21-23/h5-7,9-16,19-21H,3-4,8,17-18,22H2,1-2H3,(H2,32,35)(H2,33,36)",IIMDHPZBNJJYPC-UHFFFAOYSA-N,C31H36N6S,Not Found,524.73,4.736727274,4,6,12,4,HIV RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Bisamidophenyl thiophene derivative 8 specifically binds with HIV RRE RNA & blocks Rev-RRE interaction, results the virus become unable to replicate.",Not Found,,,,,,"US005668165A, September 16,1997.",,,,,,,,,,,,Not Found,No,No,,,,
DBoRL2079,Bisamidophenyl thiophene derivative 9,N-[3-(diethylamino)propyl]-3-[5-(3-{N-[2-(1-methylpyrrolidin-2-yl)ethyl]carbamimidoyl}phenyl)thiophen-2-yl]benzene-1-carboximidamide,CCN(CC)CCCNC(=N)c1cccc(-c2ccc(-c3cccc(C(=N)NCCC4CCCN4C)c3)s2)c1,"InChI=1/C32H44N6S/c1-4-38(5-2)21-9-18-35-31(33)26-12-6-10-24(22-26)29-15-16-30(39-29)25-11-7-13-27(23-25)32(34)36-19-17-28-14-8-20-37(28)3/h6-7,10-13,15-16,22-23,28H,4-5,8-9,14,17-21H2,1-3H3,(H2,33,35)(H2,34,36)",KCGCGJFSIIWNQK-UHFFFAOYNA-N,C32H44N6S,Not Found,544.81,4.774095382,4,6,13,4,HIV RRE RNA,"The Rev-RRE interaction is essential for HIV-1 replication. Bisamidophenyl thiophene derivative 9 specifically binds with HIV RRE RNA & blocks Rev-RRE interaction, results the virus become unable to replicate.",Not Found,,,,,,"US005668165A, September 16,1997.",,,,,,,,,,,,Not Found,No,No,,,,
DBoRL2080,Acetyl parmomycin derivative ,"N-[2-({2-[(3,5-diamino-2-{[2-amino-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-6-hydroxycyclohexyl)oxy]-4-[(3,6-diamino-4,5-dihydroxyoxan-2-yl)oxy]-5-(hydroxymethyl)oxolan-3-yl}oxy)ethyl]-N-(2-phenylethyl)acetamide",CC(=O)N(CCOC1C(OC2C(O)C(N)CC(N)C2OC2CC(CO)C(O)C(O)C2N)OC(CO)C1OC1OC(N)C(O)C(O)C1N)CCc1ccccc1,"InChI=1/C35H60N6O14/c1-15(44)41(8-7-16-5-3-2-4-6-16)9-10-50-32-30(53-34-23(39)27(48)28(49)33(40)55-34)21(14-43)52-35(32)54-31-25(46)18(36)12-19(37)29(31)51-20-11-17(13-42)24(45)26(47)22(20)38/h2-6,17-35,42-43,45-49H,7-14,36-40H2,1H3",JOMOSVPFWLGUKX-UHFFFAOYNA-N,C35H60N6O14,Not Found,788.893,-6.182012466,12,19,15,5,Bacterial ribosomal A-site,"The rRNA are responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). Acetyl parmomycin derivative binds to A-site (16S rRNA of bacteria), which interferes with aminoacyl tRNA binding with A site.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2081,Benzoyl paromomycin derivative,"N-[2-({2-[(3,5-diamino-2-{[2-amino-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-6-hydroxycyclohexyl)oxy]-4-[(3,6-diamino-4,5-dihydroxyoxan-2-yl)oxy]-5-(hydroxymethyl)oxolan-3-yl}oxy)ethyl]-N-(2-phenylethyl)benzamide",NC1CC(N)C(OC2CC(CO)C(O)C(O)C2N)C(OC2OC(CO)C(OC3OC(N)C(O)C(O)C3N)C2OCCN(CCc2ccccc2)C(=O)c2ccccc2)C1O,"InChI=1/C40H62N6O14/c41-22-16-23(42)33(56-24-15-21(17-47)28(49)30(51)26(24)43)35(29(22)50)59-40-36(34(25(18-48)57-40)58-39-27(44)31(52)32(53)37(45)60-39)55-14-13-46(12-11-19-7-3-1-4-8-19)38(54)20-9-5-2-6-10-20/h1-10,21-37,39-40,47-53H,11-18,41-45H2",ZNALCZKIHJKAMO-UHFFFAOYNA-N,C40H62N6O14,Not Found,850.964,-4.327838028,12,19,16,6,Bacterial ribosomal A-site,"The rRNA are responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). Benzoyl paromomycin derivative binds to A-site (16S rRNA of bacteria), which interferes with aminoacyl tRNA binding with A site.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2082,Deoxy fluoro paromomycin ,"(3-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-[(3,5-diamino-2-{[2-amino-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxyoxolan-2-yl)methyl hypofluorite",NCC1OC(OC2C(COF)OC(OC3C(O)C(N)CC(N)C3OC3CC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C24H46FN5O13/c25-38-5-11-21(42-23-13(30)18(36)16(34)10(3-26)40-23)19(37)24(41-11)43-22-15(33)7(27)2-8(28)20(22)39-9-1-6(4-31)14(32)17(35)12(9)29/h6-24,31-37H,1-5,26-30H2",IMXONQMXXVKJNW-UHFFFAOYNA-N,C24H46FN5O13,Not Found,631.652,-7.422780711,12,18,10,4,Bacterial ribosomal A-site,"The rRNA are responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). Deoxy fluoro paromomycin binds to A-site (16S rRNA of bacteria), which interferes with aminoacyl tRNA binding with A site.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2083,Ether paromomycin derivative 1,"2,5-diamino-6-({5-[(3,5-diamino-2-{[2-amino-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-6-hydroxycyclohexyl)oxy]-4-(2-hydroxyethoxy)-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",NC1CC(N)C(OC2CC(CO)C(O)C(O)C2N)C(OC2OC(CO)C(OC3OC(N)C(O)C(O)C3N)C2OCCO)C1O,"InChI=1/C25H49N5O14/c26-8-4-9(27)19(40-10-3-7(5-32)14(34)16(36)12(10)28)21(15(8)35)43-25-22(39-2-1-31)20(11(6-33)41-25)42-24-13(29)17(37)18(38)23(30)44-24/h7-25,31-38H,1-6,26-30H2",GJFJXRWLKNDLEY-UHFFFAOYNA-N,C25H49N5O14,Not Found,643.688,-8.130787661,13,19,11,4,Bacterial ribosomal A-site,"The rRNA are responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). Ether paromomycin derivative 1 binds to A-site (16S rRNA of bacteria), which interferes with aminoacyl tRNA binding with A site.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2084,Ether paromomycin derivative 2,"5-amino-2-(aminomethyl)-6-({4-[2-(3-cyclohexylpropoxy)ethoxy]-5-[(3,5-diamino-2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2OCCOCCCC2CCCCC2)C(N)C(O)C1O,"InChI=1/C34H65N5O15/c35-12-18-24(43)26(45)21(38)32(49-18)53-29-20(14-41)51-34(31(29)48-10-9-47-8-4-7-15-5-2-1-3-6-15)54-30-23(42)16(36)11-17(37)28(30)52-33-22(39)27(46)25(44)19(13-40)50-33/h15-34,40-46H,1-14,35-39H2",ZXYLJZBLVRUYPL-UHFFFAOYNA-N,C34H65N5O15,Not Found,783.914,-4.786678086,12,20,17,5,Bacterial ribosomal A-site,"The rRNA are responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). Ether paromomycin derivative 2 binds to A-site (16S rRNA of bacteria), which interferes with aminoacyl tRNA binding with A site.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2085,Ether paromomycin derivative 3,"2,5-diamino-6-({5-[(3,5-diamino-2-{[2-amino-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-6-hydroxycyclohexyl)oxy]-4-(2-hydroxy-2-phenylethoxy)-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",NC1CC(N)C(OC2CC(CO)C(O)C(O)C2N)C(OC2OC(CO)C(OC3OC(N)C(O)C(O)C3N)C2OCC(O)c2ccccc2)C1O,"InChI=1/C31H53N5O14/c32-13-7-14(33)25(46-16-6-12(8-37)20(40)22(42)18(16)34)27(21(13)41)49-31-28(45-10-15(39)11-4-2-1-3-5-11)26(17(9-38)47-31)48-30-19(35)23(43)24(44)29(36)50-30/h1-5,12-31,37-44H,6-10,32-36H2",FLMCAVOWTQSYPH-UHFFFAOYNA-N,C31H53N5O14,Not Found,719.786,-6.346547473,13,19,12,5,Bacterial ribosomal A-site,"The rRNA are responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). Ether paromomycin derivative 3 binds to A-site (16S rRNA of bacteria), which interferes with aminoacyl tRNA binding with A site.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2086,Ether paromomycin derivative 4,"3-amino-4-[(4,6-diamino-2-{[3-(2-aminoethoxy)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)cyclohexane-1,2-diol",NCCOC1C(OC2C(O)C(N)CC(N)C2OC2CC(CO)C(O)C(O)C2N)OC(CO)C1O,"InChI=1/C20H40N4O10/c21-1-2-31-19-15(29)11(6-26)33-20(19)34-18-14(28)8(22)4-9(23)17(18)32-10-3-7(5-25)13(27)16(30)12(10)24/h7-20,25-30H,1-6,21-24H2",AXPVIASCPVPHGS-UHFFFAOYNA-N,C20H40N4O10,Not Found,496.558,-6.519181219,10,14,9,3,Bacterial ribosomal A-site,"The rRNA are responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). Ether paromomycin derivative 4 binds to A-site (16S rRNA of bacteria), which interferes with aminoacyl tRNA binding with A site.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2087,Ether paromomycin derivative 5,"3-amino-4-({4,6-diamino-2-[(3-{2-[(aminomethyl)amino]ethoxy}-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3-hydroxycyclohexyl}oxy)-6-(hydroxymethyl)cyclohexane-1,2-diol",NCNCCOC1C(OC2C(O)C(N)CC(N)C2OC2CC(CO)C(O)C(O)C2N)OC(CO)C1O,"InChI=1/C21H43N5O10/c22-7-26-1-2-33-20-16(31)12(6-28)35-21(20)36-19-15(30)9(23)4-10(24)18(19)34-11-3-8(5-27)14(29)17(32)13(11)25/h8-21,26-32H,1-7,22-25H2",QRWRMTSPVWGEBB-UHFFFAOYNA-N,C21H43N5O10,Not Found,525.6,-6.773483691,11,15,11,3,Bacterial ribosomal A-site,"The rRNA are responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). Ether paromomycin derivative 5 binds to A-site (16S rRNA of bacteria), which interferes with aminoacyl tRNA binding with A site.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2088,Ethyl paromomycin derivative 1,"4-amino-N-(5-amino-4-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(4-{[2-amino-5-(aminomethyl)-3,4-dihydroxycyclohexyl]oxy}-3-{2-[(3-aminopropyl)amino]ethoxy}-5-(hydroxymethyl)oxolan-2-yl)oxy]-2-hydroxycyclohexyl)-2-hydroxybutanamide",NCCCNCCOC1C(OC2C(O)C(NC(=O)C(O)CCN)CC(N)C2OC2OC(CO)C(O)C(O)C2N)OC(CO)C1OC1CC(CN)C(O)C(O)C1N,"InChI=1/C33H66N8O15/c34-3-1-5-40-6-7-51-30-28(52-17-8-13(10-36)22(45)25(48)20(17)38)19(12-43)54-33(30)56-29-23(46)15(41-31(50)16(44)2-4-35)9-14(37)27(29)55-32-21(39)26(49)24(47)18(11-42)53-32/h13-30,32-33,40,42-49H,1-12,34-39H2,(H,41,50)",ZQUROORBHRKYSD-UHFFFAOYNA-N,C33H66N8O15,Not Found,814.932,-10.33169336,16,22,20,4,Bacterial ribosomal A-site,"The rRNA are responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). Ethyl paromomycin derivative 1 binds to A-site (16S rRNA of bacteria), which interferes with aminoacyl tRNA binding with A site.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2089,Ethyl paromomycin derivative 2,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[2-amino-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-6-hydroxycyclohexyl)oxy]-2-{[(dimethylamino)methoxy]methyl}-4-hydroxyoxolan-3-yl}oxy)oxane-3,4-diol",CN(C)COCC1OC(OC2C(O)C(N)CC(N)C2OC2CC(CO)C(O)C(O)C2N)C(O)C1OC1OC(CN)C(O)C(O)C1N,"InChI=1/C27H54N6O13/c1-33(2)8-41-7-14-24(45-26-16(32)21(39)19(37)13(5-28)43-26)22(40)27(44-14)46-25-18(36)10(29)4-11(30)23(25)42-12-3-9(6-34)17(35)20(38)15(12)31/h9-27,34-40H,3-8,28-32H2,1-2H3",WCFSROVHAYVBAG-UHFFFAOYNA-N,C27H54N6O13,Not Found,670.758,-7.578051184,12,19,12,4,Bacterial ribosomal A-site,"The rRNA are responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). Ethyl paromomycin derivative 2 binds to A-site (16S rRNA of bacteria), which interferes with aminoacyl tRNA binding with A site.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2090,N-1-haba dideoxy neomycin,"4-amino-N-{5-amino-3-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5-(hydroxymethyl)-3-{3-[(2-phenylethyl)amino]propyl}oxolan-2-yl)oxy]-4-{[3-amino-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl}-2-hydroxybutanamide",NCCC(O)C(=O)NC1CC(N)C(OC2OC(CO)CCC2N)C(OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2CCCNCCc2ccccc2)C1O,"InChI=1/C38H67N7O13/c39-12-10-25(48)35(52)45-24-15-23(42)33(57-37-22(41)9-8-20(17-46)53-37)34(29(24)49)58-36-21(7-4-13-44-14-11-19-5-2-1-3-6-19)32(27(18-47)55-36)56-38-28(43)31(51)30(50)26(16-40)54-38/h1-3,5-6,20-34,36-38,44,46-51H,4,7-18,39-43H2,(H,45,52)",LBGQAUGHIPFSBO-UHFFFAOYNA-N,C38H67N7O13,Not Found,829.99,-4.927691316,13,19,20,5,Bacterial ribosomal A-site,"The rRNA are responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). N-1-haba dideoxy neomycin binds to A-site (16S rRNA of bacteria), which interferes with aminoacyl tRNA binding with A site.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2091,N-1-haba paromomycin ,"4-amino-N-(5-amino-4-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-2-hydroxycyclohexyl)-2-hydroxybutanamide",NCCC(O)C(=O)NC1CC(N)C(OC2OC(CO)C(O)C(O)C2N)C(OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2O)C1O,"InChI=1/C27H52N6O16/c28-2-1-9(36)24(43)33-8-3-7(30)21(47-26-14(32)19(41)17(39)11(5-34)45-26)23(15(8)37)49-27-20(42)22(12(6-35)46-27)48-25-13(31)18(40)16(38)10(4-29)44-25/h7-23,25-27,34-42H,1-6,28-32H2,(H,33,43)",BJCCZCBAOAEUMY-UHFFFAOYNA-N,C27H52N6O16,Not Found,716.739,-9.831765174,15,21,13,4,Bacterial ribosomal A-site,"The rRNA are responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). N-1-haba paromomycin binds to A-site (16S rRNA of bacteria), which interferes with aminoacyl tRNA binding with A site.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,12799604,No,No,,,,
DBoRL2092,Phenyl paromomycin derivative 3,"3-amino-4-[(4,6-diamino-3-hydroxy-2-{[4-hydroxy-5-(hydroxymethyl)-3-{2-[(2-phenylethyl)amino]ethoxy}oxolan-2-yl]oxy}cyclohexyl)oxy]-6-(hydroxymethyl)cyclohexane-1,2-diol",NC1CC(N)C(OC2CC(CO)C(O)C(O)C2N)C(OC2OC(CO)C(O)C2OCCNCCc2ccccc2)C1O,"InChI=1/C28H48N4O10/c29-16-11-17(30)25(40-18-10-15(12-33)21(35)24(38)20(18)31)26(22(16)36)42-28-27(23(37)19(13-34)41-28)39-9-8-32-7-6-14-4-2-1-3-5-14/h1-5,15-28,32-38H,6-13,29-31H2",HJJZTKKHOIGSFA-UHFFFAOYNA-N,C28H48N4O10,Not Found,600.71,-4.073466503,10,14,13,4,Bacterial ribosomal A-site,"The rRNA are responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). Phenyl paromomycin derivative 3 binds to A-site (16S rRNA of bacteria), which interferes with aminoacyl tRNA binding with A site.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2018",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2093,Phenyl paromomycin derivative 4,"4-amino-N-{5-amino-3-[(4-{[2-amino-5-(aminomethyl)-3,4-dihydroxycyclohexyl]oxy}-5-(hydroxymethyl)-3-{2-[(2-phenylethyl)amino]ethoxy}oxolan-2-yl)oxy]-4-{[3-amino-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl}-2-hydroxybutanamide",NCCC(O)C(=O)NC1CC(N)C(OC2OC(CO)CCC2N)C(OC2OC(CO)C(OC3CC(CN)C(O)C(O)C3N)C2OCCNCCc2ccccc2)C1O,"InChI=1/C38H67N7O13/c39-10-8-25(48)36(52)45-24-15-23(42)32(57-37-22(41)7-6-21(17-46)54-37)34(30(24)50)58-38-35(53-13-12-44-11-9-19-4-2-1-3-5-19)33(27(18-47)56-38)55-26-14-20(16-40)29(49)31(51)28(26)43/h1-5,20-35,37-38,44,46-51H,6-18,39-43H2,(H,45,52)",OTIHGTLBCJLPLO-UHFFFAOYNA-N,C38H67N7O13,Not Found,829.99,-5.743542673,13,19,20,5,Bacterial ribosomal A-site,"The rRNA are responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). Phenyl paromomycin derivative 4 binds to A-site (16S rRNA of bacteria), which interferes with aminoacyl tRNA binding with A site.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2094,Phenyl paromomycin derivative 5,"4-amino-N-(5-amino-4-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(4-{[2-amino-5-(aminomethyl)-3,4-dihydroxycyclohexyl]oxy}-5-(hydroxymethyl)-3-{2-[(2-phenylethyl)amino]ethoxy}oxolan-2-yl)oxy]-2-hydroxycyclohexyl)-2-hydroxybutanamide",NCCC(O)C(=O)NC1CC(N)C(OC2OC(CO)C(O)C(O)C2N)C(OC2OC(CO)C(OC3CC(CN)C(O)C(O)C3N)C2OCCNCCc2ccccc2)C1O,"InChI=1/C38H67N7O15/c39-8-6-21(48)36(54)45-20-13-19(41)32(59-37-26(43)31(53)29(51)23(15-46)57-37)34(28(20)50)60-38-35(55-11-10-44-9-7-17-4-2-1-3-5-17)33(24(16-47)58-38)56-22-12-18(14-40)27(49)30(52)25(22)42/h1-5,18-35,37-38,44,46-53H,6-16,39-43H2,(H,45,54)",AIJHNVPOUDXJIB-UHFFFAOYNA-N,C38H67N7O15,Not Found,861.988,-7.581534967,15,21,20,5,Bacterial ribosomal A-site,"The rRNA are responsible for reading the order of amino acids and linking amino acids together. The A site is the entry point for the aminoacyl tRNA (except for the first aminoacyl tRNA, which enters at the P site). Phenyl paromomycin derivative 5 binds to A-site (16S rRNA of bacteria), which interferes with aminoacyl tRNA binding with A site.",US20110166334 (Google Patents),US20110166334 (WIPO PATENTSCOPE),,,,,"US20110166334, july 7,2011",,,,,,https://patents.google.com/patent/US20110166334,https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1A246979D448688C42A1738DC9EA29B4.wapp2nB?docId=US73292368&_cid=P21-K6IXU3-64109-4,,,,,Not Found,No,No,,,,
DBoRL2095,"Tris(3,4,7,8-Tetramethylphenanthroline)Ruthenium(II)",,CC1=C(C)C2=CC=C3C4=C2[N](=C1)[Ru]125([N]4=CC(C)=C3C)[N]3=CC(C)=C(C)C4=CC=C6C(=C34)[N]1=CC(C)=C6C.CC1=C(C)C3=CC=C4C(=C3[N]2=C1)[N]5=CC(C)=C4C,"InChI=1S/3C16H16N2.Ru/c3*1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15;/h3*5-8H,1-4H3;",QHEZFLSOZPDVSB-UHFFFAOYSA-N,C48H48N6Ru,Not Found,810.02,,0,0,0,12,Yeast t-RNA (Phe),"Tris(3,4,7,8-Tetramethylphenanthroline)Ruthenium(II), a transition-metal complexes, is responsible for shape-selective cleavage of tRNA(Phe).",10.1021/ja00163a076,,,,,,"Shape-selective cleavage of tRNAPhe by transition metal complexes
Christine S. Chow and Jacqueline K. Barton
Journal of the American Chemical Society 1990 112 (7), 2839-2841
DOI: 10.1021/ja00163a076",,,,,,https://pubs.acs.org/doi/pdf/10.1021/ja00163a076,,,,,,Not Found,No,No,,,,
DBoRL2096,"Tris(4,7-diphenyl-1,10-phenanthroline)-rhodium (III)",,C1=CC=C(C=C1)C1=CC=[N]2C3=C4C(=CC=C13)C(=CC=[N]4[Rh]2123[N]4=CC=C(C5=CC=CC=C5)C5=CC=C6C(=C45)[N]1=CC=C6C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)C1=CC=[N]2C2=C4C(=CC=C12)C(=CC=[N]34)C1=CC=CC=C1,InChI=1S/3C24H16N2.Rh/c3*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;/h3*1-16H;,WUBHLYWCCZSKSP-UHFFFAOYSA-N,C72H48N6Rh,Not Found,1100.12,,0,0,6,18,Yeast t-RNA (Phe),"Tris(4,7-diphenyl-1,10-phenanthroline)-rhodium (III), a transition-metal complexes, is responsible for shape-selective cleavage of tRNA(Phe).",10.1021/ja00163a076,,,,,,"
Shape-selective cleavage of tRNAPhe by transition metal complexes
Christine S. Chow and Jacqueline K. Barton
Journal of the American Chemical Society 1990 112 (7), 2839-2841
DOI: 10.1021/ja00163a076
",,,,,,https://pubs.acs.org/doi/pdf/10.1021/ja00163a076,,,,,,Not Found,No,No,,,,
DBoRL2097,Tris1 10 phenanthroline ruthenium(II),,C1=CC=[N]2C(=C1)C1=CC=CC=[N]1[Ru]2123[N]4=CC=CC=C4C4=CC=CC=[N]14.C1=CC=[N]2C(=C1)C1=CC=CC=[N]31,InChI=1S/3C10H8N2.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*1-8H;,BZSVVCFHMVMYCR-UHFFFAOYSA-N,C30H24N6Ru,Not Found,569.63,,0,0,0,9,Yeast t-RNA (Phe),"Tris1 10 phenanthroline ruthenium(II), a transition-metal complexes, is responsible for shape-selective cleavage of tRNA(Phe).",10.1021/ja00163a076,,,,,,"
Shape-selective cleavage of tRNAPhe by transition metal complexes
Christine S. Chow and Jacqueline K. Barton
Journal of the American Chemical Society 1990 112 (7), 2839-2841
DOI: 10.1021/ja00163a076
",,,,,,https://pubs.acs.org/doi/pdf/10.1021/ja00163a076,,,,,,Not Found,No,No,,,,
DBoRL2098,"(2r,3r,3As,5r,7ar,9r,10r,10as,12r,14ar)-2,9-Bis(6-Amino-9h-Purin-9-Yl)octahydro-2h,7h-Difuro[3,2-D:3',2'-J][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-3,5,10,12-Tetrol 5,12-Dioxide","8,17-bis(6-amino-9H-purin-9-yl)-3,9,12,18-tetrahydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC3C(COP(=O)(O)OC2C1O)OC(n1cnc2c(N)ncnc21)C3O,"InChI=1/C20H24N10O12P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-11(31)13-7(39-19)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)32)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,34)(H,35,36)(H2,21,23,25)(H2,22,24,26)",PDXMFTWFFKBFIN-UHFFFAOYNA-N,C20H24N10O12P2,Not Found,658.418,-8.817293719,6,16,2,7,Human pir-miRNA-208a Apical Loop,Mode of action is not known.,Not Found (To be published.),,,,,,"Three-dimensional structures of pri-miRNA apical junctions and loops revealed by scaffold-directed crystallography
Shoffner, G.M., Peng, Z., Guo, F.",,,,,,,,,,,,77916186,No,No,,,,
DBoRL2099,"2-Amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4(1h)-one","2-amino-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-4-one",Nc1nc2c(c(=O)[nH]1)CCCN2,"InChI=1S/C7H10N4O/c8-7-10-5-4(6(12)11-7)2-1-3-9-5/h1-3H2,(H4,8,9,10,11,12)",PRQFDDYAWVNJMM-UHFFFAOYSA-N,C7H10N4O,6964-95-0,166.184,-0.487495499,3,4,0,2,tetrahydrofolate riboswitch,Mode of action is not known.,Not Found (To be published.),,,,,,"Tetrahydrofolate Riboswitches Provide Distinct Genetic Outputs to Synthetic and Natural Signals.
Vincent, H.A., Leigh, J., Robinson, C.J., Dunstan, M.S., Ferrer Rios, M.G., Micklefield, J.",,,,,,,,,,,,135460259,No,No,,,,
DBoRL2100,"(2Z)-3-Methyl-2-[(E)-3-(1-methylquinolin-1-ium-4-yl)prop-2-enylidene]-1,3-benzoxazole","1-methyl-4-[3-(3-methyl-2,3-dihydro-1,3-benzoxazol-2-ylidene)prop-1-en-1-yl]quinolin-1-ium",CN1C(=CC=Cc2cc[n+](C)c3ccccc23)Oc2ccccc21,"InChI=1S/C21H19N2O/c1-22-15-14-16(17-9-3-4-10-18(17)22)8-7-13-21-23(2)19-11-5-6-12-20(19)24-21/h3-15H,1-2H3/q+1",VHMUTYCKXYROKA-UHFFFAOYSA-N,C21H19N2O,Not Found,315.395,0.682844065,0,2,2,4,Mango-III fluorescent aptamer,Mode of action is not known.,Not Found (To be published.),,,,,,"RNA aptamer FRET pair
Trachman, R.J., Ferre-D'Amare, A.R.",,,,,,,,,,,,59853378,No,No,,,,
DBoRL2101,Berberine,"16,17-dimethoxy-5,7-dioxa-13??-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",YBHILYKTIRIUTE-UHFFFAOYSA-N,C20H18NO4,2086-83-1,336.366,-1.283312286,0,4,2,5,Yeast t-RNA Phe,Mode of action is not known.,Not Found,,,,,,Sinha R et al. Bioorg Med Chem 2004;14:800-814.,,,,,,,,,,,,2353,Yes,Yes,Investigational,DB04115,https://go.drugbank.com/drugs/DB04115,
DBoRL2102,Methylene Blue,"7-(dimethylamino)-N,N-dimethyl-3H-phenothiazin-3-iminium",CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1,"InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1",RBTBFTRPCNLSDE-UHFFFAOYSA-N,C16H18N3S,"7060-82-4,1001913-24-1",284.4,-0.619775573,0,2,1,3,Single Stranded Poly(A),Mode of action is not known.,Not Found,,,,,,Sinha R et al. Bioorg Med Chem 2004;14:800-814.,,,,,,,,,,,,4139,Yes,Yes,Investigational,DB09241,https://go.drugbank.com/drugs/DB09241,This is the isomeric form of the drug approved by USFDA.
DBoRL2103,Berberine chloride,"16,17-dimethoxy-5,7-dioxa-13??-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium chloride",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[Cl-],"InChI=1S/C20H18NO4.ClH/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;/h3-4,7-10H,5-6,11H2,1-2H3;1H/q+1;/p-1",VKJGBAJNNALVAV-UHFFFAOYSA-M,C20H18ClNO4,633-65-8,371.82,-1.283312286,0,4,2,5,Single Stranded Poly(G),Mode of action is not known.,Not Found,,,,,,Islam MM et al J Mol Struc 2008;875:382-391.  ,,,,,,,,,,,,12456,No,No,,,,
DBoRL2104,Palmatine chloride,"3,4,10,11-tetramethoxy-7,8-dihydro-6??-azatetraphen-6-ylium chloride",COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2.[Cl-],"InChI=1S/C21H22NO4.ClH/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4;/h5-6,9-12H,7-8H2,1-4H3;1H/q+1;/p-1",RLQYRXCUPVKSAW-UHFFFAOYSA-M,C21H22ClNO4,10605-02-4,387.86,-1.221888285,0,4,4,4,Single Stranded Poly(G),Mode of action is not known.,Not Found,,,,,,Islam MM et al J Mol Struc 2008;875:382-391.  ,,,,,,,,,,,,73442,No,No,,,,
DBoRL2105,Distamycin A,[1-amino-3-({4-[4-(4-formamido-1H-pyrrole-2-amido)-1-methyl-1H-pyrrole-2-amido]-1-methyl-1H-pyrrol-2-yl}formamido)propylidene]azanium,Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)c[nH]3)cn2C)cc1C(=O)NCCC(N)=[NH2+],"InChI=1S/C21H25N9O4/c1-29-10-14(6-16(29)20(33)24-4-3-18(22)23)28-21(34)17-7-13(9-30(17)2)27-19(32)15-5-12(8-25-15)26-11-31/h5-11,25H,3-4H2,1-2H3,(H3,22,23)(H,24,33)(H,26,31)(H,27,32)(H,28,34)/p+1",LZLSEBOKXHPYOM-UHFFFAOYSA-O,C21H26N9O4,Not Found,468.497,-1.962269092,7,5,9,3,A Form of Poly(rC),Mode of action is not known.,Not Found,,,,,,Sinha R et al. Bioorg Med Chem 2004;14:800-814.,,,,,,,,,,,,Not Found,No,No,,,,
DBoRL2106,Triptycene 2,"(2S)-2-amino-N-{12,17-bis[(2S)-2-amino-5-carbamimidamidopentanamido]pentacyclo[6.6.6.0?,?.0?,??.0??,??]icosa-2(7),3,5,9,11,13,15(20),16,18-nonaen-4-yl}-5-carbamimidamidopentanamide",NC(NCCC[C@@H](C(NC1=CC2=C(C3C4=CC=C(C=C4C2C5=C3C=CC(NC([C@H](CCCNC(N)=N)N)=O)=C5)NC([C@H](CCCNC(N)=N)N)=O)C=C1)=O)N)=N,"InChI=1S/C38H53N15O3/c39-28(4-1-13-48-36(42)43)33(54)51-19-7-10-22-25(16-19)32-26-17-20(52-34(55)29(40)5-2-14-49-37(44)45)8-11-23(26)31(22)24-12-9-21(18-27(24)32)53-35(56)30(41)6-3-15-50-38(46)47/h7-12,16-18,28-32H,1-6,13-15,39-41H2,(H,51,54)(H,52,55)(H,53,56)(H4,42,43,48)(H4,44,45,49)(H4,46,47,50)/t28-,29-,30-,31?,32?/m0/s1",APNGECXPXCBANL-ULXRDEKGSA-N,C38H53N15O3,Not Found,767.944,-1.031697635,15,15,18,5,Sigma 32 Factor,"Triptycene 2, a triptycene-based small molecule, binds with sigma 32 factor (encoded by rpoH gene) and modulate temperature sensing.",27240201,,,,,,"Barros SA, Yoon I, Chenoweth DM. Modulation of the E.?coli rpoH Temperature Sensor with Triptycene-Based Small Molecules. Angew Chem Int Ed Engl. 2016 Jul 11;55(29):8258-61. doi: 10.1002/anie.201601626. Epub 2016 May 30. PMID: 27240201; PMCID: PMC5056428.","Barros SA, Yoon I, Chenoweth DM. Modulation of the E.?coli rpoH Temperature Sensor with Triptycene-Based Small Molecules. Angew Chem Int Ed Engl. 2016 Jul 11;55(29):8258-61. doi: 10.1002/anie.201601626. Epub 2016 May 30. PMID: 27240201; PMCID: PMC5056428.",,,,,https://pubmed.ncbi.nlm.nih.gov/27240201/,,,,,,132562313,No,No,,,,
DBoRL2107,Targaprimir-96,"N-[({[(carbamoylmethyl)({1-[3-(4-{2,6-di-tert-butyl-4-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]phenoxy}butanamido)propyl]-1H-1,2,3-triazol-4-yl}methyl)carbamoyl]methyl}(propyl)carbamoyl)methyl]-4-(3-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)-N-propylbutanamide",CCCN(C(CCCOC1=CC=CC(C2=NC3=CC(C4=NC5=CC(N6CCN(CC6)C)=CC=C5N4)=CC=C3N2)=C1)=O)CC(N(CC(N(CC7=CN(N=N7)CCCNC(CCCOC8=C(C(C)(C)C)C=C(C9=NC%10=CC(N%11CCN(CC%11)C)=CC=C%10N9)C=C8C(C)(C)C)=O)CC(N)=O)=O)CCC)=O,"InChI=1S/C77H102N18O7/c1-11-28-92(69(98)20-15-39-101-58-18-13-17-52(41-58)73-80-61-24-21-53(44-64(61)83-73)74-81-62-25-22-56(45-65(62)84-74)90-35-31-88(9)32-36-90)50-70(99)93(29-12-2)51-71(100)94(49-67(78)96)47-55-48-95(87-86-55)30-16-27-79-68(97)19-14-40-102-72-59(76(3,4)5)42-54(43-60(72)77(6,7)8)75-82-63-26-23-57(46-66(63)85-75)91-37-33-89(10)34-38-91/h13,17-18,21-26,41-46,48H,11-12,14-16,19-20,27-40,47,49-51H2,1-10H3,(H2,78,96)(H,79,97)(H,80,83)(H,81,84)(H,82,85)",OLEDRJJUXAAJFN-UHFFFAOYSA-N,C77H102N18O7,Not Found,1391.78,8.036982349,5,16,33,11,pri-miRNA-96,Targaprimir-96 is a small molecule that binds with pri-miRNA-96 (an oncogenic noncoding RNA) and modulates miR-96 production in cancer cells and triggers apoptosis.,27170187,30726072,,,,,"1) Velagapudi SP, Cameron MD, Haga CL, Rosenberg LH, Lafitte M, Duckett DR, Phinney DG, Disney MD. Design of a small molecule against an oncogenic noncoding RNA. Proc Natl Acad Sci U S A. 2016 May 24;113(21):5898-903. doi: 10.1073/pnas.1523975113. Epub 2016 May 11. PMID: 27170187; PMCID: PMC4889373.","2) Costales MG, Hoch DG, Abegg D, Childs-Disney JL, Velagapudi SP, Adibekian A, Disney MD. A Designed Small Molecule Inhibitor of a Non-Coding RNA Sensitizes HER2 Negative Cancers to Herceptin. J Am Chem Soc. 2019 Feb 20;141(7):2960-2974. doi: 10.1021/jacs.8b10558. Epub 2019 Feb 6. PMID: 30726072; PMCID: PMC6400281.",,,,,https://pubmed.ncbi.nlm.nih.gov/27170187/,https://pubmed.ncbi.nlm.nih.gov/30726072/,,,,,90479856,No,No,,,,
DBoRL2108,2AU-2,"2-[N-({1-[3-({4-[5-(4-carbamimidoylphenyl)furan-2-yl]phenyl}methanimidamido)propyl]-1H-1,2,3-triazol-4-yl}methyl)-2-(2-{2-[({1-[3-({4-[5-(4-carbamimidoylphenyl)furan-2-yl]phenyl}methanimidamido)propyl]-1H-1,2,3-triazol-4-yl}methyl)amino]-N-propylacetamido}-N-propylacetamido)acetamido]acetamide",CCCN(C(CNCC1=CN(N=N1)CCCNC(C2=CC=C(C3=CC=C(C4=CC=C(C(N)=N)C=C4)O3)C=C2)=N)=O)CC(N(CC(N(CC5=CN(N=N5)CCCNC(C6=CC=C(C7=CC=C(C8=CC=C(C(N)=N)C=C8)O7)C=C6)=N)CC(N)=O)=O)CCC)=O,"InChI=1S/C62H73N19O6/c1-3-29-77(56(83)34-70-33-49-36-80(75-73-49)31-5-27-71-61(68)47-19-11-43(12-20-47)53-25-23-51(86-53)41-7-15-45(16-8-41)59(64)65)39-57(84)78(30-4-2)40-58(85)79(38-55(63)82)35-50-37-81(76-74-50)32-6-28-72-62(69)48-21-13-44(14-22-48)54-26-24-52(87-54)42-9-17-46(18-10-42)60(66)67/h7-26,36-37,70H,3-6,27-35,38-40H2,1-2H3,(H2,63,82)(H3,64,65)(H3,66,67)(H2,68,71)(H2,69,72)",RDSJKXGFAMVXAU-UHFFFAOYSA-N,C62H73N19O6,Not Found,1180.39,1.80771075,10,17,32,8,Ataxin 10 (ATXN10) r(AUUCU) Repeats,"2AU-2 is a bioactive small molecule that targets r(AUUCU) repeats in spinocerebellar ataxia 10 and play important roles in improvement of mitochondrial dysfunction, reduction of activation of caspase 3, and reduction of nuclear foci.",27248057,,,,,,"Yang WY, Gao R, Southern M, Sarkar PS, Disney MD. Design of a bioactive small molecule that targets r(AUUCU) repeats in spinocerebellar ataxia 10. Nat Commun. 2016 Jun 1;7:11647. doi: 10.1038/ncomms11647. PMID: 27248057; PMCID: PMC4895354.","Yang WY, Gao R, Southern M, Sarkar PS, Disney MD. Design of a bioactive small molecule that targets r(AUUCU) repeats in spinocerebellar ataxia 10. Nat Commun. 2016 Jun 1;7:11647. doi: 10.1038/ncomms11647. PMID: 27248057; PMCID: PMC4895354.",,,,,https://pubmed.ncbi.nlm.nih.gov/27248057/,,,,,,Not Found,No,No,,,,
DBoRL2109,2H-3,"N-(3-{4-[({[({[({[(carbamoylmethyl)[(1-{3-[4-(3-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}-1H-1,2,3-triazol-4-yl)methyl]carbamoyl]methyl}(propyl)carbamoyl)methyl](propyl)carbamoyl}methyl)(propyl)carbamoyl]methyl}amino)methyl]-1H-1,2,3-triazol-1-yl}propyl)-4-(3-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamide",CCCN(C(CNCC1=CN(N=N1)CCCNC(CCCOC2=CC=CC(C3=NC4=CC(C5=NC6=CC(N7CCN(CC7)C)=CC=C6N5)=CC=C4N3)=C2)=O)=O)CC(N(CC(N(CC(N(CC8=CN(N=N8)CCCNC(CCCOC9=CC=CC(C%10=NC%11=CC(C%12=NC%13=CC(N%14CCN(CC%14)C)=CC=C%13N%12)=CC=C%11N%10)=C9)=O)CC(N)=O)=O)CCC)=O)CCC)=O,"InChI=1S/C89H112N26O9/c1-6-31-110(82(119)53-91-52-65-55-114(104-102-65)34-13-29-92-80(117)19-11-44-123-69-17-9-15-61(46-69)86-94-71-25-21-63(48-75(71)98-86)88-96-73-27-23-67(50-77(73)100-88)108-40-36-106(4)37-41-108)58-83(120)111(32-7-2)59-84(121)112(33-8-3)60-85(122)113(57-79(90)116)54-66-56-115(105-103-66)35-14-30-93-81(118)20-12-45-124-70-18-10-16-62(47-70)87-95-72-26-22-64(49-76(72)99-87)89-97-74-28-24-68(51-78(74)101-89)109-42-38-107(5)39-43-109/h9-10,15-18,21-28,46-51,55-56,91H,6-8,11-14,19-20,29-45,52-54,57-60H2,1-5H3,(H2,90,116)(H,92,117)(H,93,118)(H,94,98)(H,95,99)(H,96,100)(H,97,101)",SIBZQABSHMSEFL-UHFFFAOYSA-N,C89H112N26O9,Not Found,1690.05,4.698823724,8,22,44,14,Fragile X Mental Retardation 1 (FMR1) r(CGG) Repeats,2H-3 targets and binds with expanded r(CGG) repeats that cause fragile X-associated tremor ataxia syndrome (FXTAS) and modulates the toxicity.,24506227,,,,,,"Tran T, Childs-Disney JL, Liu B, Guan L, Rzuczek S, Disney MD. Targeting the r(CGG) repeats that cause FXTAS with modularly assembled small molecules and oligonucleotides. ACS Chem Biol. 2014 Apr 18;9(4):904-12. doi: 10.1021/cb400875u. Epub 2014 Feb 19. PMID: 24506227; PMCID: PMC4287843.","Tran T, Childs-Disney JL, Liu B, Guan L, Rzuczek S, Disney MD. Targeting the r(CGG) repeats that cause FXTAS with modularly assembled small molecules and oligonucleotides. ACS Chem Biol. 2014 Apr 18;9(4):904-12. doi: 10.1021/cb400875u. Epub 2014 Feb 19. PMID: 24506227; PMCID: PMC4287843.",,,,,https://pubmed.ncbi.nlm.nih.gov/24506227/,,,,,,44221485,No,No,,,,
DBoRL2110,2H-4,"N-{3-[4-({[({[({[({[(carbamoylmethyl)[(1-{3-[4-(3-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}-1H-1,2,3-triazol-4-yl)methyl]carbamoyl]methyl}(propyl)carbamoyl)methyl](propyl)carbamoyl}methyl)(propyl)carbamoyl]methyl}(propyl)carbamoyl)methyl]amino}methyl)-1H-1,2,3-triazol-1-yl]propyl}-4-(3-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamide",CCCN(C(CNCC1=CN(N=N1)CCCNC(CCCOC2=CC=CC(C3=NC4=CC(C5=NC6=CC(N7CCN(CC7)C)=CC=C6N5)=CC=C4N3)=C2)=O)=O)CC(N(CC(N(CC(N(CC(N(CC8=CN(N=N8)CCCNC(CCCOC9=CC=CC(C%10=NC%11=CC(C%12=NC%13=CC(N%14CCN(CC%14)C)=CC=C%13N%12)=CC=C%11N%10)=C9)=O)CC(N)=O)=O)CCC)=O)CCC)=O)CCC)=O,"InChI=1S/C94H121N27O10/c1-7-33-115(86(125)56-96-55-69-58-120(109-107-69)37-15-31-97-84(123)21-13-47-130-73-19-11-17-65(49-73)91-99-75-27-23-67(51-79(75)103-91)93-101-77-29-25-71(53-81(77)105-93)113-43-39-111(5)40-44-113)61-87(126)116(34-8-2)62-88(127)117(35-9-3)63-89(128)118(36-10-4)64-90(129)119(60-83(95)122)57-70-59-121(110-108-70)38-16-32-98-85(124)22-14-48-131-74-20-12-18-66(50-74)92-100-76-28-24-68(52-80(76)104-92)94-102-78-30-26-72(54-82(78)106-94)114-45-41-112(6)42-46-114/h11-12,17-20,23-30,49-54,58-59,96H,7-10,13-16,21-22,31-48,55-57,60-64H2,1-6H3,(H2,95,122)(H,97,123)(H,98,124)(H,99,103)(H,100,104)(H,101,105)(H,102,106)",CWJUMWPESLCJHH-UHFFFAOYSA-N,C94H121N27O10,Not Found,1789.18,4.6965469,8,23,48,14,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,2H-4 binds with expanded r(CUG) repeats of mRNA (responsible for production of Dystrophia Myotonica Protein Kinase (DMPK)) that cause myotonic dystrophy type 1 (DM1) and improves defects associated with this disease.,22332923,,,,,,"Childs-Disney JL, Hoskins J, Rzuczek SG, Thornton CA, Disney MD. Rationally designed small molecules targeting the RNA that causes myotonic dystrophy type 1 are potently bioactive. ACS Chem Biol. 2012 May 18;7(5):856-62. doi: 10.1021/cb200408a. Epub 2012 Mar 5. PMID: 22332923; PMCID: PMC3356481.","Childs-Disney JL, Hoskins J, Rzuczek SG, Thornton CA, Disney MD. Rationally designed small molecules targeting the RNA that causes myotonic dystrophy type 1 are potently bioactive. ACS Chem Biol. 2012 May 18;7(5):856-62. doi: 10.1021/cb200408a. Epub 2012 Mar 5. PMID: 22332923; PMCID: PMC3356481.",,,,,https://pubmed.ncbi.nlm.nih.gov/22332923/,,,,,,44221085,No,No,,,,
DBoRL2111,2H-4,"N-{3-[4-({[({[({[({[(carbamoylmethyl)[(1-{3-[4-(3-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}-1H-1,2,3-triazol-4-yl)methyl]carbamoyl]methyl}(propyl)carbamoyl)methyl](propyl)carbamoyl}methyl)(propyl)carbamoyl]methyl}(propyl)carbamoyl)methyl]amino}methyl)-1H-1,2,3-triazol-1-yl]propyl}-4-(3-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamide",CCCN(C(CNCC1=CN(N=N1)CCCNC(CCCOC2=CC=CC(C3=NC4=CC(C5=NC6=CC(N7CCN(CC7)C)=CC=C6N5)=CC=C4N3)=C2)=O)=O)CC(N(CC(N(CC(N(CC(N(CC8=CN(N=N8)CCCNC(CCCOC9=CC=CC(C%10=NC%11=CC(C%12=NC%13=CC(N%14CCN(CC%14)C)=CC=C%13N%12)=CC=C%11N%10)=C9)=O)CC(N)=O)=O)CCC)=O)CCC)=O)CCC)=O,"InChI=1S/C94H121N27O10/c1-7-33-115(86(125)56-96-55-69-58-120(109-107-69)37-15-31-97-84(123)21-13-47-130-73-19-11-17-65(49-73)91-99-75-27-23-67(51-79(75)103-91)93-101-77-29-25-71(53-81(77)105-93)113-43-39-111(5)40-44-113)61-87(126)116(34-8-2)62-88(127)117(35-9-3)63-89(128)118(36-10-4)64-90(129)119(60-83(95)122)57-70-59-121(110-108-70)38-16-32-98-85(124)22-14-48-131-74-20-12-18-66(50-74)92-100-76-28-24-68(52-80(76)104-92)94-102-78-30-26-72(54-82(78)106-94)114-45-41-112(6)42-46-114/h11-12,17-20,23-30,49-54,58-59,96H,7-10,13-16,21-22,31-48,55-57,60-64H2,1-6H3,(H2,95,122)(H,97,123)(H,98,124)(H,99,103)(H,100,104)(H,101,105)(H,102,106)",CWJUMWPESLCJHH-UHFFFAOYSA-N,C94H121N27O10,Not Found,1789.18,4.6965469,8,23,48,14,Fragile X Mental Retardation 1 (FMR1) r(CGG) Repeats,2H-4 targets and binds with expanded r(CGG) repeats that cause fragile X-associated tremor ataxia syndrome (FXTAS) and modulates the toxicity.,24506227,,,,,,"Tran T, Childs-Disney JL, Liu B, Guan L, Rzuczek S, Disney MD. Targeting the r(CGG) repeats that cause FXTAS with modularly assembled small molecules and oligonucleotides. ACS Chem Biol. 2014 Apr 18;9(4):904-12. doi: 10.1021/cb400875u. Epub 2014 Feb 19. PMID: 24506227; PMCID: PMC4287843.","Tran T, Childs-Disney JL, Liu B, Guan L, Rzuczek S, Disney MD. Targeting the r(CGG) repeats that cause FXTAS with modularly assembled small molecules and oligonucleotides. ACS Chem Biol. 2014 Apr 18;9(4):904-12. doi: 10.1021/cb400875u. Epub 2014 Feb 19. PMID: 24506227; PMCID: PMC4287843.",,,,,https://pubmed.ncbi.nlm.nih.gov/24506227/,,,,,,44221085,No,No,,,,
DBoRL2112,2H-5,"N-[3-(4-{[({[({[({[({[(carbamoylmethyl)[(1-{3-[4-(3-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}-1H-1,2,3-triazol-4-yl)methyl]carbamoyl]methyl}(propyl)carbamoyl)methyl](propyl)carbamoyl}methyl)(propyl)carbamoyl]methyl}(propyl)carbamoyl)methyl](propyl)carbamoyl}methyl)amino]methyl}-1H-1,2,3-triazol-1-yl)propyl]-4-(3-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamide",CCCN(C(CNCC1=CN(N=N1)CCCNC(CCCOC2=CC=CC(C3=NC4=CC(C5=NC6=CC(N7CCN(CC7)C)=CC=C6N5)=CC=C4N3)=C2)=O)=O)CC(N(CC(N(CC(N(CC(N(CC(N(CC8=CN(N=N8)CCCNC(CCCOC9=CC=CC(C%10=NC%11=CC(C%12=NC%13=CC(N%14CCN(CC%14)C)=CC=C%13N%12)=CC=C%11N%10)=C9)=O)CC(N)=O)=O)CCC)=O)CCC)=O)CCC)=O)CCC)=O,"InChI=1S/C99H130N28O11/c1-8-35-120(90(131)59-101-58-73-61-126(114-112-73)40-17-33-102-88(129)23-15-50-137-77-21-13-19-69(52-77)96-104-79-29-25-71(54-83(79)108-96)98-106-81-31-27-75(56-85(81)110-98)118-46-42-116(6)43-47-118)64-91(132)121(36-9-2)65-92(133)122(37-10-3)66-93(134)123(38-11-4)67-94(135)124(39-12-5)68-95(136)125(63-87(100)128)60-74-62-127(115-113-74)41-18-34-103-89(130)24-16-51-138-78-22-14-20-70(53-78)97-105-80-30-26-72(55-84(80)109-97)99-107-82-32-28-76(57-86(82)111-99)119-48-44-117(7)45-49-119/h13-14,19-22,25-32,52-57,61-62,101H,8-12,15-18,23-24,33-51,58-60,63-68H2,1-7H3,(H2,100,128)(H,102,129)(H,103,130)(H,104,108)(H,105,109)(H,106,110)(H,107,111)",TWHJNZYUZAWOPV-UHFFFAOYSA-N,C99H130N28O11,Not Found,1888.31,4.694270075,8,24,52,14,Fragile X Mental Retardation 1 (FMR1) r(CGG) Repeats,2H-5 targets and binds with expanded r(CGG) repeats that cause fragile X-associated tremor ataxia syndrome (FXTAS) and modulates the toxicity.,24506227,,,,,,"Tran T, Childs-Disney JL, Liu B, Guan L, Rzuczek S, Disney MD. Targeting the r(CGG) repeats that cause FXTAS with modularly assembled small molecules and oligonucleotides. ACS Chem Biol. 2014 Apr 18;9(4):904-12. doi: 10.1021/cb400875u. Epub 2014 Feb 19. PMID: 24506227; PMCID: PMC4287843.","Tran T, Childs-Disney JL, Liu B, Guan L, Rzuczek S, Disney MD. Targeting the r(CGG) repeats that cause FXTAS with modularly assembled small molecules and oligonucleotides. ACS Chem Biol. 2014 Apr 18;9(4):904-12. doi: 10.1021/cb400875u. Epub 2014 Feb 19. PMID: 24506227; PMCID: PMC4287843.",,,,,https://pubmed.ncbi.nlm.nih.gov/24506227/,,,,,,44221089,No,No,,,,
DBoRL2113,2H-6,"N-(3-{4-[({[({[({[({[({[(carbamoylmethyl)[(1-{3-[4-(3-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}-1H-1,2,3-triazol-4-yl)methyl]carbamoyl]methyl}(propyl)carbamoyl)methyl](propyl)carbamoyl}methyl)(propyl)carbamoyl]methyl}(propyl)carbamoyl)methyl](propyl)carbamoyl}methyl)(propyl)carbamoyl]methyl}amino)methyl]-1H-1,2,3-triazol-1-yl}propyl)-4-(3-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamide",CCCN(C(CNCC1=CN(N=N1)CCCNC(CCCOC2=CC=CC(C3=NC4=CC(C5=NC6=CC(N7CCN(CC7)C)=CC=C6N5)=CC=C4N3)=C2)=O)=O)CC(N(CC(N(CC(N(CC(N(CC(N(CC(N(CC8=CN(N=N8)CCCNC(CCCOC9=CC=CC(C%10=NC%11=CC(C%12=NC%13=CC(N%14CCN(CC%14)C)=CC=C%13N%12)=CC=C%11N%10)=C9)=O)CC(N)=O)=O)CCC)=O)CCC)=O)CCC)=O)CCC)=O)CCC)=O,"InChI=1S/C104H139N29O12/c1-9-37-125(94(137)62-106-61-77-64-132(119-117-77)43-19-35-107-92(135)25-17-53-144-81-23-15-21-73(55-81)101-109-83-31-27-75(57-87(83)113-101)103-111-85-33-29-79(59-89(85)115-103)123-49-45-121(7)46-50-123)67-95(138)126(38-10-2)68-96(139)127(39-11-3)69-97(140)128(40-12-4)70-98(141)129(41-13-5)71-99(142)130(42-14-6)72-100(143)131(66-91(105)134)63-78-65-133(120-118-78)44-20-36-108-93(136)26-18-54-145-82-24-16-22-74(56-82)102-110-84-32-28-76(58-88(84)114-102)104-112-86-34-30-80(60-90(86)116-104)124-51-47-122(8)48-52-124/h15-16,21-24,27-34,55-60,64-65,106H,9-14,17-20,25-26,35-54,61-63,66-72H2,1-8H3,(H2,105,134)(H,107,135)(H,108,136)(H,109,113)(H,110,114)(H,111,115)(H,112,116)",ALQIKDJLWISYEI-UHFFFAOYSA-N,C104H139N29O12,Not Found,1987.45,4.691993251,8,25,56,14,Fragile X Mental Retardation 1 (FMR1) r(CGG) Repeats,2H-6 targets and binds with expanded r(CGG) repeats that cause fragile X-associated tremor ataxia syndrome (FXTAS) and modulates the toxicity.,24506227,,,,,,"Tran T, Childs-Disney JL, Liu B, Guan L, Rzuczek S, Disney MD. Targeting the r(CGG) repeats that cause FXTAS with modularly assembled small molecules and oligonucleotides. ACS Chem Biol. 2014 Apr 18;9(4):904-12. doi: 10.1021/cb400875u. Epub 2014 Feb 19. PMID: 24506227; PMCID: PMC4287843.","Tran T, Childs-Disney JL, Liu B, Guan L, Rzuczek S, Disney MD. Targeting the r(CGG) repeats that cause FXTAS with modularly assembled small molecules and oligonucleotides. ACS Chem Biol. 2014 Apr 18;9(4):904-12. doi: 10.1021/cb400875u. Epub 2014 Feb 19. PMID: 24506227; PMCID: PMC4287843.",,,,,https://pubmed.ncbi.nlm.nih.gov/24506227/,,,,,,44221086,No,No,,,,
DBoRL2114,2HE-5NMe,"2-[(1-{3-[(2S)-N-(carbamoylmethyl)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[2-({3-[4-({9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl}methyl)-1H-1,2,3-triazol-1-yl]propyl}amino)-N-methylacetamido]-N-methylpropanamido]-N-methylpropanamido]-N-methylpropanamido]-N-methylpropanamido]propanamido]propyl}-1H-1,2,3-triazol-4-yl)methyl]-9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium",C[C@@H](C(N(CC(N)=O)CCCN1C=C(N=N1)C[N+]2=CC3=C(C4=C(C(C)=C3C=C2)NC5=C4C=C(C=C5)O)C)=O)N(C([C@@H](N(C([C@@H](N(C([C@@H](N(C([C@@H](N(C(CNCCCN6C=C(N=N6)C[N+]7=CC8=C(C9=C(C(C)=C8C=C7)NC%10=C9C=C(C=C%10)O)C)=O)C)C)=O)C)C)=O)C)C)=O)C)C)=O)C,"InChI=1S/C70H86N18O9/c1-39-56-36-84(27-21-52(56)41(3)64-62(39)54-29-50(89)17-19-58(54)73-64)32-48-34-87(77-75-48)25-15-23-72-31-61(92)79(10)43(5)66(93)80(11)44(6)67(94)81(12)45(7)68(95)82(13)46(8)69(96)83(14)47(9)70(97)86(38-60(71)91)24-16-26-88-35-49(76-78-88)33-85-28-22-53-42(4)65-63(40(2)57(53)37-85)55-30-51(90)18-20-59(55)74-65/h17-22,27-30,34-37,43-47,72H,15-16,23-26,31-33,38H2,1-14H3,(H4,71,89,90,91)/p+2/t43-,44-,45-,46-,47-/m0/s1",AEIFBTYMPUMCSG-RGZYMCLJSA-P,C70H88N18O9,Not Found,1325.59,-6.489250037,6,14,26,10,Fragile X Mental Retardation 1 (FMR1) r(CGG) Repeats,2HE-5NMe binds with Fragile X Mental Retardation 1 (FMR1) r(CGG) repeats and modulates the toxicity effects. ,27276216,,,,,,"Yang WY, He F, Strack RL, Oh SY, Frazer M, Jaffrey SR, Todd PK, Disney MD. Small Molecule Recognition and Tools to Study Modulation of r(CGG)(exp) in Fragile X-Associated Tremor Ataxia Syndrome. ACS Chem Biol. 2016 Sep 16;11(9):2456-65. doi: 10.1021/acschembio.6b00147. Epub 2016 Jul 11. PMID: 27276216; PMCID: PMC5549791.","Yang WY, He F, Strack RL, Oh SY, Frazer M, Jaffrey SR, Todd PK, Disney MD. Small Molecule Recognition and Tools to Study Modulation of r(CGG)(exp) in Fragile X-Associated Tremor Ataxia Syndrome. ACS Chem Biol. 2016 Sep 16;11(9):2456-65. doi: 10.1021/acschembio.6b00147. Epub 2016 Jul 11. PMID: 27276216; PMCID: PMC5549791.",,,,,https://pubmed.ncbi.nlm.nih.gov/27276216/,,,,,,Not Found,No,No,,,,
DBoRL2115,2H-3G,"4-(3-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)-N-{2-[2-(2-{2-[4-(3-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]acetamido}acetamido)acetamido]ethyl}butanamide",CN1CCN(C2=CC=C3NC(C4=CC=C5NC(C6=CC(OCCCC(NCCNC(CNC(CNC(CNC(CCCOC7=CC=CC(C8=NC9=CC(C%10=NC%11=CC(N%12CCN(CC%12)C)=CC=C%11N%10)=CC=C9N8)=C7)=O)=O)=O)=O)=O)=CC=C6)=NC5=C4)=NC3=C2)CC1,"InChI=1S/C66H73N17O7/c1-80-23-27-82(28-24-80)46-15-19-52-56(37-46)78-65(74-52)44-13-17-50-54(35-44)76-63(72-50)42-7-3-9-48(33-42)89-31-5-11-58(84)67-21-22-68-60(86)39-70-62(88)41-71-61(87)40-69-59(85)12-6-32-90-49-10-4-8-43(34-49)64-73-51-18-14-45(36-55(51)77-64)66-75-53-20-16-47(38-57(53)79-66)83-29-25-81(2)26-30-83/h3-4,7-10,13-20,33-38H,5-6,11-12,21-32,39-41H2,1-2H3,(H,67,84)(H,68,86)(H,69,85)(H,70,88)(H,71,87)(H,72,76)(H,73,77)(H,74,78)(H,75,79)",NFJYGBMUMIDZSL-UHFFFAOYSA-N,C66H73N17O7,Not Found,1216.42,4.138996446,9,15,25,12,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,2H-3G binds with Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) repeats and improves DM1-associated defects.,24032410,,,,,,"Rzuczek SG, Gao Y, Tang ZZ, Thornton CA, Kodadek T, Disney MD. Features of modularly assembled compounds that impart bioactivity against an RNA target. ACS Chem Biol. 2013 Oct 18;8(10):2312-21. doi: 10.1021/cb400265y. Epub 2013 Sep 13. PMID: 24032410; PMCID: PMC3876286.","Rzuczek SG, Gao Y, Tang ZZ, Thornton CA, Kodadek T, Disney MD. Features of modularly assembled compounds that impart bioactivity against an RNA target. ACS Chem Biol. 2013 Oct 18;8(10):2312-21. doi: 10.1021/cb400265y. Epub 2013 Sep 13. PMID: 24032410; PMCID: PMC3876286.",,,,,https://pubmed.ncbi.nlm.nih.gov/24032410/,,,,,,Not Found,No,No,,,,
DBoRL2116,2H-3NMe,"N-{2-[(2R)-2-[(2R)-N-methyl-2-[(2R)-N-methyl-2-[N-methyl-4-(3-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propanamido]propanamido]propanamido]ethyl}-4-(3-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamide",C[C@H](C(NCCNC(CCCOC1=CC=CC(C2=NC3=CC(C4=NC5=CC(N6CCN(CC6)C)=CC=C5N4)=CC=C3N2)=C1)=O)=O)N(C([C@H](N(C([C@H](N(C(CCCOC7=CC=CC(C8=NC9=CC(C%10=NC%11=CC(N%12CCN(CC%12)C)=CC=C%11N%10)=CC=C9N8)=C7)=O)C)C)=O)C)C)=O)C,"InChI=1S/C72H85N17O7/c1-45(70(92)74-28-27-73-64(90)17-11-37-95-54-15-9-13-48(39-54)66-75-56-23-19-50(41-60(56)79-66)68-77-58-25-21-52(43-62(58)81-68)88-33-29-83(4)30-34-88)86(7)72(94)47(3)87(8)71(93)46(2)85(6)65(91)18-12-38-96-55-16-10-14-49(40-55)67-76-57-24-20-51(42-61(57)80-67)69-78-59-26-22-53(44-63(59)82-69)89-35-31-84(5)32-36-89/h9-10,13-16,19-26,39-47H,11-12,17-18,27-38H2,1-8H3,(H,73,90)(H,74,92)(H,75,79)(H,76,80)(H,77,81)(H,78,82)/t45-,46-,47-/m1/s1",DQOSFNAEKMBXQN-IUAJQGRFSA-N,C72H85N17O7,Not Found,1300.58,6.51631737,6,15,25,12,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,2H-3NMe binds with Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) repeats and improves DM1-associated defects.,24032410,,,,,,"Rzuczek SG, Gao Y, Tang ZZ, Thornton CA, Kodadek T, Disney MD. Features of modularly assembled compounds that impart bioactivity against an RNA target. ACS Chem Biol. 2013 Oct 18;8(10):2312-21. doi: 10.1021/cb400265y. Epub 2013 Sep 13. PMID: 24032410; PMCID: PMC3876286.","Rzuczek SG, Gao Y, Tang ZZ, Thornton CA, Kodadek T, Disney MD. Features of modularly assembled compounds that impart bioactivity against an RNA target. ACS Chem Biol. 2013 Oct 18;8(10):2312-21. doi: 10.1021/cb400265y. Epub 2013 Sep 13. PMID: 24032410; PMCID: PMC3876286.",,,,,https://pubmed.ncbi.nlm.nih.gov/24032410/,,,,,,Not Found,No,No,,,,
DBoRL2117,2H-3NPr,"4-(3-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)-N-{2-[(2R)-2-[(2R)-2-[(2R)-2-[4-(3-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)-N-propylbutanamido]-N-propylpropanamido]-N-propylpropanamido]propanamido]ethyl}butanamide",CCCN(C(CCCOC1=CC=CC(C2=NC3=CC(C4=NC5=CC(N6CCN(CC6)C)=CC=C5N4)=CC=C3N2)=C1)=O)[C@@H](C(N([C@@H](C(N([C@@H](C(NCCNC(CCCOC7=CC=CC(C8=NC9=CC(C%10=NC%11=CC(N%12CCN(CC%12)C)=CC=C%11N%10)=CC=C9N8)=C7)=O)=O)C)CCC)=O)C)CCC)=O)C,"InChI=1S/C78H97N17O7/c1-9-32-93(71(97)21-15-44-102-61-19-13-17-55(46-61)73-82-63-27-23-57(48-67(63)86-73)75-84-65-29-25-59(50-69(65)88-75)92-41-37-90(8)38-42-92)52(5)77(99)95(34-11-3)53(6)78(100)94(33-10-2)51(4)76(98)80-31-30-79-70(96)20-14-43-101-60-18-12-16-54(45-60)72-81-62-26-22-56(47-66(62)85-72)74-83-64-28-24-58(49-68(64)87-74)91-39-35-89(7)36-40-91/h12-13,16-19,22-29,45-53H,9-11,14-15,20-21,30-44H2,1-8H3,(H,79,96)(H,80,98)(H,81,85)(H,82,86)(H,83,87)(H,84,88)/t51-,52-,53-/m1/s1",FPXCVDDYMLMKCR-IKCSEEPVSA-N,C78H97N17O7,Not Found,1384.75,9.154308419,6,15,31,12,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,2H-3NPr binds with Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) repeats and improves DM1-associated defects.,24032410,,,,,,"Rzuczek SG, Gao Y, Tang ZZ, Thornton CA, Kodadek T, Disney MD. Features of modularly assembled compounds that impart bioactivity against an RNA target. ACS Chem Biol. 2013 Oct 18;8(10):2312-21. doi: 10.1021/cb400265y. Epub 2013 Sep 13. PMID: 24032410; PMCID: PMC3876286.","Rzuczek SG, Gao Y, Tang ZZ, Thornton CA, Kodadek T, Disney MD. Features of modularly assembled compounds that impart bioactivity against an RNA target. ACS Chem Biol. 2013 Oct 18;8(10):2312-21. doi: 10.1021/cb400265y. Epub 2013 Sep 13. PMID: 24032410; PMCID: PMC3876286.",,,,,https://pubmed.ncbi.nlm.nih.gov/24032410/,,,,,,Not Found,No,No,,,,
DBoRL2118,2H-K4,"(2R)-2-{2-[2-(2-{2-[4-(3-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)-N-propylbutanamido]-N-propylacetamido}-N-propylacetamido)-N-propylacetamido]acetamido}-6-[4-(3-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]hexanamide",CCCN(C(CN(C(CN(C(CN(C(CCCOC1=CC=CC(C2=NC3=CC(C4=NC5=CC(N6CCN(CC6)C)=CC=C5N4)=CC=C3N2)=C1)=O)CCC)=O)CCC)=O)CCC)=O)CC(N[C@@H](C(N)=O)CCCCNC(CCCOC7=CC=CC(C8=NC9=CC(C%10=NC%11=CC(N%12CCN(CC%12)C)=CC=C%11N%10)=CC=C9N8)=C7)=O)=O,"InChI=1S/C84H107N19O9/c1-7-33-100(53-75(105)87-69(80(85)110)21-11-12-32-86-74(104)22-15-45-111-63-19-13-17-57(47-63)81-88-65-28-24-59(49-70(65)92-81)83-90-67-30-26-61(51-72(67)94-83)98-41-37-96(5)38-42-98)77(107)55-102(35-9-3)79(109)56-103(36-10-4)78(108)54-101(34-8-2)76(106)23-16-46-112-64-20-14-18-58(48-64)82-89-66-29-25-60(50-71(66)93-82)84-91-68-31-27-62(52-73(68)95-84)99-43-39-97(6)40-44-99/h13-14,17-20,24-31,47-52,69H,7-12,15-16,21-23,32-46,53-56H2,1-6H3,(H2,85,110)(H,86,104)(H,87,105)(H,88,92)(H,89,93)(H,90,94)(H,91,95)/t69-/m1/s1",NABYCYSYJYVCNV-UPFDQZFOSA-N,C84H107N19O9,Not Found,1526.9,7.350626925,7,17,39,12,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,2H-K4 binds with Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) repeats and improves DM1-associated defects.,24032410,,,,,,"Rzuczek SG, Gao Y, Tang ZZ, Thornton CA, Kodadek T, Disney MD. Features of modularly assembled compounds that impart bioactivity against an RNA target. ACS Chem Biol. 2013 Oct 18;8(10):2312-21. doi: 10.1021/cb400265y. Epub 2013 Sep 13. PMID: 24032410; PMCID: PMC3876286.","Rzuczek SG, Gao Y, Tang ZZ, Thornton CA, Kodadek T, Disney MD. Features of modularly assembled compounds that impart bioactivity against an RNA target. ACS Chem Biol. 2013 Oct 18;8(10):2312-21. doi: 10.1021/cb400265y. Epub 2013 Sep 13. PMID: 24032410; PMCID: PMC3876286.",,,,,https://pubmed.ncbi.nlm.nih.gov/24032410/,,,,,,Not Found,No,No,,,,
DBoRL2119,2H-K4NH,"(2R)-6-[4-(3-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[4-(3-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propanamido]propanamido]propanamido]propanamido]hexanamide",C[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N)=O)CCCCNC(CCCOC1=CC=CC(C2=NC3=CC(C4=NC5=CC(N6CCN(CC6)C)=CC=C5N4)=CC=C3N2)=C1)=O)=O)C)=O)C)=O)C)=O)NC(CCCOC7=CC=CC(C8=NC9=CC(C%10=NC%11=CC(N%12CCN(CC%12)C)=CC=C%11N%10)=CC=C9N8)=C7)=O,"InChI=1S/C76H91N19O9/c1-45(79-67(97)19-12-38-104-56-16-10-14-50(40-56)70-84-58-25-21-52(42-63(58)88-70)72-86-60-27-23-54(44-65(60)90-72)95-35-31-93(6)32-36-95)73(99)80-46(2)74(100)81-47(3)75(101)82-48(4)76(102)91-61(68(77)98)17-7-8-28-78-66(96)18-11-37-103-55-15-9-13-49(39-55)69-83-57-24-20-51(41-62(57)87-69)71-85-59-26-22-53(43-64(59)89-71)94-33-29-92(5)30-34-94/h9-10,13-16,20-27,39-48,61H,7-8,11-12,17-19,28-38H2,1-6H3,(H2,77,98)(H,78,96)(H,79,97)(H,80,99)(H,81,100)(H,82,101)(H,83,87)(H,84,88)(H,85,89)(H,86,90)(H,91,102)/t45-,46-,47-,48-,61-/m1/s1",OSXCEDZCNWUTSO-UGURCEKTSA-N,C76H91N19O9,Not Found,1414.69,5.213658233,11,17,31,12,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,2H-K4NH binds with Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) repeats and improves DM1-associated defects.,24032410,,,,,,"Rzuczek SG, Gao Y, Tang ZZ, Thornton CA, Kodadek T, Disney MD. Features of modularly assembled compounds that impart bioactivity against an RNA target. ACS Chem Biol. 2013 Oct 18;8(10):2312-21. doi: 10.1021/cb400265y. Epub 2013 Sep 13. PMID: 24032410; PMCID: PMC3876286.","Rzuczek SG, Gao Y, Tang ZZ, Thornton CA, Kodadek T, Disney MD. Features of modularly assembled compounds that impart bioactivity against an RNA target. ACS Chem Biol. 2013 Oct 18;8(10):2312-21. doi: 10.1021/cb400265y. Epub 2013 Sep 13. PMID: 24032410; PMCID: PMC3876286.",,,,,https://pubmed.ncbi.nlm.nih.gov/24032410/,,,,,,Not Found,No,No,,,,
DBoRL2120,2H-K4NMe,"(2R)-2-[(2R)-2-[(2R)-N-methyl-2-[(2R)-N-methyl-2-[(2R)-N-methyl-2-[N-methyl-4-(3-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propanamido]propanamido]propanamido]propanamido]-6-[4-(3-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]hexanamide",C[C@H](C(N[C@@H](C(N)=O)CCCCNC(CCCOC1=CC=CC(C2=NC3=CC(C4=NC5=CC(N6CCN(CC6)C)=CC=C5N4)=CC=C3N2)=C1)=O)=O)N(C([C@H](N(C([C@H](N(C([C@H](N(C(CCCOC7=CC=CC(C8=NC9=CC(C%10=NC%11=CC(N%12CCN(CC%12)C)=CC=C%11N%10)=CC=C9N8)=C7)=O)C)C)=O)C)C)=O)C)C)=O)C,"InChI=1S/C80H99N19O9/c1-49(77(103)91-65(72(81)102)21-11-12-32-82-70(100)22-15-41-107-59-19-13-17-53(43-59)73-83-61-28-24-55(45-66(61)87-73)75-85-63-30-26-57(47-68(63)89-75)98-37-33-92(5)34-38-98)95(8)79(105)51(3)97(10)80(106)52(4)96(9)78(104)50(2)94(7)71(101)23-16-42-108-60-20-14-18-54(44-60)74-84-62-29-25-56(46-67(62)88-74)76-86-64-31-27-58(48-69(64)90-76)99-39-35-93(6)36-40-99/h13-14,17-20,24-31,43-52,65H,11-12,15-16,21-23,32-42H2,1-10H3,(H2,81,102)(H,82,100)(H,83,87)(H,84,88)(H,85,89)(H,86,90)(H,91,103)/t49-,50-,51-,52-,65-/m1/s1",MGOMKWWDDQSSJR-KHQGPAAQSA-N,C80H99N19O9,Not Found,1470.8,6.108362496,7,17,31,12,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,2H-K4NMe binds with Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) repeats and improves DM1-associated defects.,24032410,,,,,,"Rzuczek SG, Gao Y, Tang ZZ, Thornton CA, Kodadek T, Disney MD. Features of modularly assembled compounds that impart bioactivity against an RNA target. ACS Chem Biol. 2013 Oct 18;8(10):2312-21. doi: 10.1021/cb400265y. Epub 2013 Sep 13. PMID: 24032410; PMCID: PMC3876286.","Rzuczek SG, Gao Y, Tang ZZ, Thornton CA, Kodadek T, Disney MD. Features of modularly assembled compounds that impart bioactivity against an RNA target. ACS Chem Biol. 2013 Oct 18;8(10):2312-21. doi: 10.1021/cb400265y. Epub 2013 Sep 13. PMID: 24032410; PMCID: PMC3876286.",,,,,https://pubmed.ncbi.nlm.nih.gov/24032410/,,,,,,Not Found,No,No,,,,
DBoRL2121,2H-K4NMeS,"N-{4-[(2S)-N-(carbamoylmethyl)-2-[(2S)-N-methyl-2-[(2S)-N-methyl-2-[(2S)-N-methyl-2-[N-methyl-4-(3-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propanamido]propanamido]propanamido]propanamido]butyl}-N-methyl-4-(3-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamide",C[C@@H](C(N(CC(N)=O)CCCCN(C(CCCOC1=CC=CC(C2=NC3=CC(C4=NC5=CC(N6CCN(CC6)C)=CC=C5N4)=CC=C3N2)=C1)=O)C)=O)N(C([C@@H](N(C([C@@H](N(C([C@@H](N(C(CCCOC7=CC=CC(C8=NC9=CC(C%10=NC%11=CC(N%12CCN(CC%12)C)=CC=C%11N%10)=CC=C9N8)=C7)=O)C)C)=O)C)C)=O)C)C)=O)C,"InChI=1S/C81H101N19O9/c1-51(94(8)73(103)23-17-43-109-62-21-15-19-56(45-62)75-84-64-29-25-58(47-68(64)88-75)77-86-66-31-27-60(49-70(66)90-77)99-40-36-92(6)37-41-99)78(104)95(9)52(2)79(105)96(10)53(3)80(106)97(11)54(4)81(107)100(50-71(82)101)33-13-12-32-93(7)72(102)22-16-42-108-61-20-14-18-55(44-61)74-83-63-28-24-57(46-67(63)87-74)76-85-65-30-26-59(48-69(65)89-76)98-38-34-91(5)35-39-98/h14-15,18-21,24-31,44-49,51-54H,12-13,16-17,22-23,32-43,50H2,1-11H3,(H2,82,101)(H,83,87)(H,84,88)(H,85,89)(H,86,90)/t51-,52-,53-,54-/m0/s1",ZNXRHVBJGULNNR-GQYFIECQSA-N,C81H101N19O9,Not Found,1484.82,5.899189675,5,17,31,12,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,2H-K4NMeS binds with toxic CUG RNA repeat expansion of that cause myotonic dystrophy type 1 (DM1) and reduce the toxicity effects.,27941760,,,,,,"Rzuczek SG, Colgan LA, Nakai Y, Cameron MD, Furling D, Yasuda R, Disney MD. Precise small-molecule recognition of a toxic CUG RNA repeat expansion. Nat Chem Biol. 2017 Feb;13(2):188-193. doi: 10.1038/nchembio.2251. Epub 2016 Dec 12. PMID: 27941760; PMCID: PMC5290590.","Rzuczek SG, Colgan LA, Nakai Y, Cameron MD, Furling D, Yasuda R, Disney MD. Precise small-molecule recognition of a toxic CUG RNA repeat expansion. Nat Chem Biol. 2017 Feb;13(2):188-193. doi: 10.1038/nchembio.2251. Epub 2016 Dec 12. PMID: 27941760; PMCID: PMC5290590.",,,,,https://pubmed.ncbi.nlm.nih.gov/27941760/,,,,,,122238814,No,No,,,,
DBoRL2122,2H-K4NPr,"(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[4-(3-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)-N-propylbutanamido]-N-propylpropanamido]-N-propylpropanamido]-N-propylpropanamido]propanamido]-6-[4-(3-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]hexanamide",CCCN(C(CCCOC1=CC=CC(C2=NC3=CC(C4=NC5=CC(N6CCN(CC6)C)=CC=C5N4)=CC=C3N2)=C1)=O)[C@@H](C(N([C@@H](C(N([C@@H](C(N([C@@H](C(N[C@@H](C(N)=O)CCCCNC(CCCOC7=CC=CC(C8=NC9=CC(C%10=NC%11=CC(N%12CCN(CC%12)C)=CC=C%11N%10)=CC=C9N8)=C7)=O)=O)C)CCC)=O)C)CCC)=O)C)CCC)=O)C,"InChI=1S/C88H115N19O9/c1-11-37-104(79(109)27-20-50-116-68-24-18-22-62(52-68)82-92-70-33-29-64(54-75(70)96-82)84-94-72-35-31-66(56-77(72)98-84)103-47-43-101(10)44-48-103)58(6)86(112)106(39-13-3)60(8)88(114)107(40-14-4)59(7)87(113)105(38-12-2)57(5)85(111)99-73(80(89)110)25-15-16-36-90-78(108)26-19-49-115-67-23-17-21-61(51-67)81-91-69-32-28-63(53-74(69)95-81)83-93-71-34-30-65(55-76(71)97-83)102-45-41-100(9)42-46-102/h17-18,21-24,28-35,51-60,73H,11-16,19-20,25-27,36-50H2,1-10H3,(H2,89,110)(H,90,108)(H,91,95)(H,92,96)(H,93,97)(H,94,98)(H,99,111)/t57-,58-,59-,60-,73-/m1/s1",QUFQVQBBASOKCM-HZJJMSTBSA-N,C88H115N19O9,Not Found,1583.01,9.625683895,7,17,39,12,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,2H-K4NPr binds with Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) repeats and improves DM1-associated defects.,24032410,,,,,,"Rzuczek SG, Gao Y, Tang ZZ, Thornton CA, Kodadek T, Disney MD. Features of modularly assembled compounds that impart bioactivity against an RNA target. ACS Chem Biol. 2013 Oct 18;8(10):2312-21. doi: 10.1021/cb400265y. Epub 2013 Sep 13. PMID: 24032410; PMCID: PMC3876286.","Rzuczek SG, Gao Y, Tang ZZ, Thornton CA, Kodadek T, Disney MD. Features of modularly assembled compounds that impart bioactivity against an RNA target. ACS Chem Biol. 2013 Oct 18;8(10):2312-21. doi: 10.1021/cb400265y. Epub 2013 Sep 13. PMID: 24032410; PMCID: PMC3876286.",,,,,https://pubmed.ncbi.nlm.nih.gov/24032410/,,,,,,Not Found,No,No,,,,
DBoRL2123,Acridine 9,"9-({4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]butyl}amino)-N-[3-({3-[(3-{[9-({4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]butyl}amino)acridin-4-yl]formamido}propyl)amino]propyl}amino)propyl]acridine-4-carboxamide",NC1=NC(NCCCCNC2=C3C=CC=CC3=NC4=C(C(NCCCNCCCNCCCNC(C5=C6N=C7C=CC=CC7=C(C6=CC=C5)NCCCCNC8=NC(N)=NC(N)=N8)=O)=O)C=CC=C24)=NC(N)=N1,"InChI=1S/C51H64N20O2/c52-46-66-47(53)69-50(68-46)62-28-7-5-26-58-40-32-14-1-3-20-38(32)64-42-34(40)16-9-18-36(42)44(72)60-30-12-24-56-22-11-23-57-25-13-31-61-45(73)37-19-10-17-35-41(33-15-2-4-21-39(33)65-43(35)37)59-27-6-8-29-63-51-70-48(54)67-49(55)71-51/h1-4,9-10,14-21,56-57H,5-8,11-13,22-31H2,(H,58,64)(H,59,65)(H,60,72)(H,61,73)(H5,52,53,62,66,68,69)(H5,54,55,63,67,70,71)",JPIVLBLUBCSETM-UHFFFAOYSA-N,C51H64N20O2,Not Found,989.211,3.611819064,12,20,28,8,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,"Acridine 9 targets CUG triplet repeats, the causative agent of myotonic dystrophy type 1.",24188018,,,,,,"Jahromi AH, Fu Y, Miller KA, Nguyen L, Luu LM, Baranger AM, Zimmerman SC. Developing bivalent ligands to target CUG triplet repeats, the causative agent of myotonic dystrophy type 1. J Med Chem. 2013 Dec 12;56(23):9471-9481. doi: 10.1021/jm400794z. Epub 2013 Nov 21. PMID: 24188018; PMCID: PMC3925341.","Jahromi AH, Fu Y, Miller KA, Nguyen L, Luu LM, Baranger AM, Zimmerman SC. Developing bivalent ligands to target CUG triplet repeats, the causative agent of myotonic dystrophy type 1. J Med Chem. 2013 Dec 12;56(23):9471-9481. doi: 10.1021/jm400794z. Epub 2013 Nov 21. PMID: 24188018; PMCID: PMC3925341.",,,,,https://pubmed.ncbi.nlm.nih.gov/24188018/,,,,,,72793311,No,No,,,,
DBoRL2124,Bisamidinium 2a,"N1-[4-({4-amino-6-[({1-[3-({4-amino-6-[(4-{[4-(N-{4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]butyl}carbamimidoyl)phenyl]methanimidamido}butyl)amino]-1,3,5-triazin-2-yl}amino)propyl]-1H-1,2,3-triazol-4-yl}methyl)amino]-1,3,5-triazin-2-yl}amino)butyl]-N4-{4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]butyl}benzene-1,4-dicarboximidamide",NC1=NC(NCCCCNC(C2=CC=C(C(NCCCCNC3=NC(NCC4=CN(N=N4)CCCNC5=NC(N)=NC(NCCCCNC(C6=CC=C(C(NCCCCNC7=NC(N)=NC(N)=N7)=N)C=C6)=N)=N5)=NC(N)=N3)=N)C=C2)=N)=NC(N)=N1,"InChI=1S/C50H75N35/c51-35(61-18-1-5-22-65-45-73-39(55)71-40(56)74-45)30-10-14-32(15-11-30)37(53)63-20-3-7-24-67-47-77-43(59)78-49(81-47)69-26-9-27-85-29-34(83-84-85)28-70-50-80-44(60)79-48(82-50)68-25-8-4-21-64-38(54)33-16-12-31(13-17-33)36(52)62-19-2-6-23-66-46-75-41(57)72-42(58)76-46/h10-17,29H,1-9,18-28H2,(H2,51,61)(H2,52,62)(H2,53,63)(H2,54,64)(H5,55,56,65,71,73,74)(H5,57,58,66,72,75,76)(H4,59,67,69,77,78,81)(H4,60,68,70,79,80,82)",UAUQIVKNHQRMQN-UHFFFAOYSA-N,C50H75N35,Not Found,1166.4,1.534830384,20,34,36,7,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,Bisamidinium 2a is a potent inhibitor of protein sequestration by expanded triplet (CUG) repeats that shows phenotypic improvements in a drosophila model of myotonic dystrophy.,27245480,,,,,,"Luu LM, Nguyen L, Peng S, Lee J, Lee HY, Wong CH, Hergenrother PJ, Chan HY, Zimmerman SC. A Potent Inhibitor of Protein Sequestration by Expanded Triplet (CUG) Repeats that Shows Phenotypic Improvements in a Drosophila Model of Myotonic Dystrophy. ChemMedChem. 2016 Jul 5;11(13):1428-35. doi: 10.1002/cmdc.201600081. Epub 2016 Jun 1. PMID: 27245480; PMCID: PMC5074844.","Luu LM, Nguyen L, Peng S, Lee J, Lee HY, Wong CH, Hergenrother PJ, Chan HY, Zimmerman SC. A Potent Inhibitor of Protein Sequestration by Expanded Triplet (CUG) Repeats that Shows Phenotypic Improvements in a Drosophila Model of Myotonic Dystrophy. ChemMedChem. 2016 Jul 5;11(13):1428-35. doi: 10.1002/cmdc.201600081. Epub 2016 Jun 1. PMID: 27245480; PMCID: PMC5074844.",,,,,https://pubmed.ncbi.nlm.nih.gov/27245480/,,,,,,Not Found,No,No,,,,
DBoRL2125,Bisamidinium 9,"N1,N4-bis(4-{[4-amino-6-({2-[bis(2-aminoethyl)amino]ethyl}amino)-1,3,5-triazin-2-yl]amino}butyl)benzene-1,4-dicarboximidamide",NC1=NC(NCCN(CCN)CCN)=NC(NCCCCNC(C2=CC=C(C(NCCCCNC3=NC(NCCN(CCN)CCN)=NC(N)=N3)=N)C=C2)=N)=N1,"InChI=1S/C34H64N22/c35-9-19-55(20-10-36)23-17-47-33-51-29(41)49-31(53-33)45-15-3-1-13-43-27(39)25-5-7-26(8-6-25)28(40)44-14-2-4-16-46-32-50-30(42)52-34(54-32)48-18-24-56(21-11-37)22-12-38/h5-8H,1-4,9-24,35-38H2,(H2,39,43)(H2,40,44)(H4,41,45,47,49,51,53)(H4,42,46,48,50,52,54)",HZXDDPZKQOPABX-UHFFFAOYSA-N,C34H64N22,Not Found,781.04,-1.952208927,14,22,30,3,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,"Bisamidinium 9 targets CUG triplet repeats, the causative agent of myotonic dystrophy type 1.",26473464,,,,,,"Nguyen L, Luu LM, Peng S, Serrano JF, Chan HY, Zimmerman SC. Rationally designed small molecules that target both the DNA and RNA causing myotonic dystrophy type 1. J Am Chem Soc. 2015 Nov 11;137(44):14180-9. doi: 10.1021/jacs.5b09266. Epub 2015 Nov 3. PMID: 26473464.","Nguyen L, Luu LM, Peng S, Serrano JF, Chan HY, Zimmerman SC. Rationally designed small molecules that target both the DNA and RNA causing myotonic dystrophy type 1. J Am Chem Soc. 2015 Nov 11;137(44):14180-9. doi: 10.1021/jacs.5b09266. Epub 2015 Nov 3. PMID: 26473464.",,,,,https://pubmed.ncbi.nlm.nih.gov/26473464/,,,,,,132565548,No,No,,,,
DBoRL2126,DCC 4 (2012),"(2S,4Z,7S)-N,N'-bis[(1S)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]-2,7-bis({[(2S)-1-{2-ethylbenzo[g]quinoline-3-carbonyl}pyrrolidin-2-yl]formamido})oct-4-enediamide",CCC1=C(C(N2CCC[C@H]2C(N[C@H](C(N[C@H](C(NCCCN)=O)CCCCN)=O)C/C=C\C[C@@H](C(N[C@H](C(NCCCN)=O)CCCCN)=O)NC([C@@H]3CCCN3C(C4=C(N=C5C=C6C=CC=CC6=CC5=C4)CC)=O)=O)=O)=O)C=C7C=C8C=CC=CC8=CC7=N1,"InChI=1S/C68H90N14O8/c1-3-51-49(39-47-37-43-19-5-7-21-45(43)41-57(47)75-51)67(89)81-35-15-27-59(81)65(87)79-55(63(85)77-53(25-11-13-29-69)61(83)73-33-17-31-71)23-9-10-24-56(64(86)78-54(26-12-14-30-70)62(84)74-34-18-32-72)80-66(88)60-28-16-36-82(60)68(90)50-40-48-38-44-20-6-8-22-46(44)42-58(48)76-52(50)4-2/h5-10,19-22,37-42,53-56,59-60H,3-4,11-18,23-36,69-72H2,1-2H3,(H,73,83)(H,74,84)(H,77,85)(H,78,86)(H,79,87)(H,80,88)/b10-9-/t53-,54-,55-,56-,59-,60-/m0/s1",IWFLIZAPZCTKOH-KPRJPJMQSA-N,C68H90N14O8,Not Found,1231.56,1.860964094,10,14,32,8,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,"DCC 4 (2012) targets CUG triplet repeats, the causative agent of myotonic dystrophy type 1.",22492623,,,,,,"Ofori LO, Hoskins J, Nakamori M, Thornton CA, Miller BL. From dynamic combinatorial 'hit' to lead: in vitro and in vivo activity of compounds targeting the pathogenic RNAs that cause myotonic dystrophy. Nucleic Acids Res. 2012 Jul;40(13):6380-90. doi: 10.1093/nar/gks298. Epub 2012 Apr 6. PMID: 22492623; PMCID: PMC3401475.","Ofori LO, Hoskins J, Nakamori M, Thornton CA, Miller BL. From dynamic combinatorial 'hit' to lead: in vitro and in vivo activity of compounds targeting the pathogenic RNAs that cause myotonic dystrophy. Nucleic Acids Res. 2012 Jul;40(13):6380-90. doi: 10.1093/nar/gks298. Epub 2012 Apr 6. PMID: 22492623; PMCID: PMC3401475.",,,,,https://pubmed.ncbi.nlm.nih.gov/22492623/,,,,,,Not Found,No,No,,,,
DBoRL2127,DCC 11 (2012),"(2S,6E,11S)-N,N'-bis[(1S)-5-amino-1-[(3-aminopropyl)carbamoyl]pentyl]-2,11-bis({[(2S)-1-{2-ethylbenzo[g]quinoline-3-carbonyl}pyrrolidin-2-yl]formamido})dodec-6-enediamide",CCC1=C(C(N2CCC[C@H]2C(N[C@H](C(N[C@H](C(NCCCN)=O)CCCCN)=O)CCC/C=C/CCC[C@@H](C(N[C@H](C(NCCCN)=O)CCCCN)=O)NC([C@@H]3CCCN3C(C4=C(N=C5C=C6C=CC=CC6=CC5=C4)CC)=O)=O)=O)=O)C=C7C=C8C=CC=CC8=CC7=N1,"InChI=1S/C72H98N14O8/c1-3-55-53(43-51-41-47-23-11-13-25-49(47)45-61(51)79-55)71(93)85-39-19-31-63(85)69(91)83-59(67(89)81-57(29-15-17-33-73)65(87)77-37-21-35-75)27-9-7-5-6-8-10-28-60(68(90)82-58(30-16-18-34-74)66(88)78-38-22-36-76)84-70(92)64-32-20-40-86(64)72(94)54-44-52-42-48-24-12-14-26-50(48)46-62(52)80-56(54)4-2/h5-6,11-14,23-26,41-46,57-60,63-64H,3-4,7-10,15-22,27-40,73-76H2,1-2H3,(H,77,87)(H,78,88)(H,81,89)(H,82,90)(H,83,91)(H,84,92)/b6-5+/t57-,58-,59-,60-,63-,64-/m0/s1",XTQWMMQYGOLYAK-YSQGRIQSSA-N,C72H98N14O8,Not Found,1287.67,3.639238754,10,14,36,8,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,"DCC 11 (2012) targets CUG triplet repeats, the causative agent of myotonic dystrophy type 1.",22492623,,,,,,"Ofori LO, Hoskins J, Nakamori M, Thornton CA, Miller BL. From dynamic combinatorial 'hit' to lead: in vitro and in vivo activity of compounds targeting the pathogenic RNAs that cause myotonic dystrophy. Nucleic Acids Res. 2012 Jul;40(13):6380-90. doi: 10.1093/nar/gks298. Epub 2012 Apr 6. PMID: 22492623; PMCID: PMC3401475.","Ofori LO, Hoskins J, Nakamori M, Thornton CA, Miller BL. From dynamic combinatorial 'hit' to lead: in vitro and in vivo activity of compounds targeting the pathogenic RNAs that cause myotonic dystrophy. Nucleic Acids Res. 2012 Jul;40(13):6380-90. doi: 10.1093/nar/gks298. Epub 2012 Apr 6. PMID: 22492623; PMCID: PMC3401475.",,,,,https://pubmed.ncbi.nlm.nih.gov/22492623/,,,,,,57407377,No,No,,,,
DBoRL2128,Compound 4E,"N-[(2S,4E,7S)-1,8-bis[(2S)-2-{[(1S)-1-[(3-azaniumylpropyl)carbamoyl]-2-phenylethyl](methyl)carbamoyl}pyrrolidin-1-yl]-7-(1-{2-ethylbenzo[g]quinolin-3-yl}-N-methylformamido)-1,8-dioxooct-4-en-2-yl]-2-ethyl-N-methylbenzo[g]quinoline-3-carboxamide",CCC1=C(C=C2C=C3C=CC=CC3=CC2=N1)C(=O)N(C)[C@@H](C\C=C\C[C@H](N(C)C(=O)C1=C(CC)N=C2C=C3C=CC=CC3=CC2=C1)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CC1=CC=CC=C1)C(=O)NCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CC1=CC=CC=C1)C(=O)NCCC[NH3+],"InChI=1S/C78H92N12O8/c1-7-61-59(47-57-45-53-29-15-17-31-55(53)49-63(57)83-61)73(93)85(3)65(77(97)89-41-21-35-67(89)75(95)87(5)69(71(91)81-39-23-37-79)43-51-25-11-9-12-26-51)33-19-20-34-66(86(4)74(94)60-48-58-46-54-30-16-18-32-56(54)50-64(58)84-62(60)8-2)78(98)90-42-22-36-68(90)76(96)88(6)70(72(92)82-40-24-38-80)44-52-27-13-10-14-28-52/h9-20,25-32,45-50,65-70H,7-8,21-24,33-44,79-80H2,1-6H3,(H,81,91)(H,82,92)/p+2/b20-19+/t65-,66-,67-,68-,69-,70-/m0/s1",FDDMSOXQAMEITC-ZTGNGLGRSA-P,C78H94N12O8,Not Found,1327.69,6.332122469,4,10,28,10,HIV-1 Frameshift Site,"Human Immunodeficiency Virus (HIV) type 1 uses a ?1 programmed ribosomal frameshift (?1 PRF) event to translate its enzymes from the same transcript used to encode the virus? structural proteins. Frameshifting is primarily regulated by the Frameshift Stimulatory Signal RNA (FSS-RNA). Compound 4E binds with HIV-1 Frameshift Site, which interferes with the frameshifting process.",26496521,,,,,,"Hilimire TA, Bennett RP, Stewart RA, Garcia-Miranda P, Blume A, Becker J, Sherer N, Helms ED, Butcher SE, Smith HC, Miller BL. N-Methylation as a Strategy for Enhancing the Affinity and Selectivity of RNA-binding Peptides: Application to the HIV-1 Frameshift-Stimulating RNA. ACS Chem Biol. 2016 Jan 15;11(1):88-94. doi: 10.1021/acschembio.5b00682. Epub 2015 Nov 3. PMID: 26496521; PMCID: PMC4720131.","Hilimire TA, Bennett RP, Stewart RA, Garcia-Miranda P, Blume A, Becker J, Sherer N, Helms ED, Butcher SE, Smith HC, Miller BL. N-Methylation as a Strategy for Enhancing the Affinity and Selectivity of RNA-binding Peptides: Application to the HIV-1 Frameshift-Stimulating RNA. ACS Chem Biol. 2016 Jan 15;11(1):88-94. doi: 10.1021/acschembio.5b00682. Epub 2015 Nov 3. PMID: 26496521; PMCID: PMC4720131.",,,,,https://pubmed.ncbi.nlm.nih.gov/26496521/,,,,,,Not Found,No,No,,,,
DBoRL2129,DCC 4 (2014),"N-[(2S,4Z,7S)-1,8-bis[(2S)-2-{[(1S)-1-[(3-azaniumylpropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-7-({2-ethylbenzo[g]quinolin-3-yl}formamido)-1,8-dioxooct-4-en-2-yl]-2-ethylbenzo[g]quinoline-3-carboxamide",CCC1=C(C=C2C=C3C=CC=CC3=CC2=N1)C(=O)N[C@@H](C\C=C/C[C@H](NC(=O)C1=C(CC)N=C2C=C3C=CC=CC3=CC2=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCC[NH3+],"InChI=1S/C74H84N12O8/c1-3-57-55(43-53-41-49-25-11-13-27-51(49)45-61(53)79-57)67(87)81-59(73(93)85-37-17-31-65(85)71(91)83-63(69(89)77-35-19-33-75)39-47-21-7-5-8-22-47)29-15-16-30-60(82-68(88)56-44-54-42-50-26-12-14-28-52(50)46-62(54)80-58(56)4-2)74(94)86-38-18-32-66(86)72(92)84-64(70(90)78-36-20-34-76)40-48-23-9-6-10-24-48/h5-16,21-28,41-46,59-60,63-66H,3-4,17-20,29-40,75-76H2,1-2H3,(H,77,89)(H,78,90)(H,81,87)(H,82,88)(H,83,91)(H,84,92)/p+2/b16-15-/t59-,60-,63-,64-,65-,66-/m0/s1",IURZJEPHDKZQIV-GDQCWMKXSA-P,C74H86N12O8,Not Found,1271.58,5.437418206,8,10,28,10,HIV-1 Frameshift Site,"The life cycle of the human immunodeficiency virus type 1 (HIV-1) has an absolute requirement for ribosomal frameshifting during protein translation in order to produce the polyprotein precursor of the viral enzymes. An RNA stem loop structure (the ?HIV-1 Frameshift Stimulating Signal?, or HIV-1 FSS) controls the frameshift efficiency, DCC 4 (2014) selectively bind this RNA and interfere with HIV-1 replication.",24387306,,,,,,"Ofori LO, Hilimire TA, Bennett RP, Brown NW Jr, Smith HC, Miller BL. High-affinity recognition of HIV-1 frameshift-stimulating RNA alters frameshifting in vitro and interferes with HIV-1 infectivity. J Med Chem. 2014 Feb 13;57(3):723-32. doi: 10.1021/jm401438g. Epub 2014 Jan 15. PMID: 24387306; PMCID: PMC3954503.","Ofori LO, Hilimire TA, Bennett RP, Brown NW Jr, Smith HC, Miller BL. High-affinity recognition of HIV-1 frameshift-stimulating RNA alters frameshifting in vitro and interferes with HIV-1 infectivity. J Med Chem. 2014 Feb 13;57(3):723-32. doi: 10.1021/jm401438g. Epub 2014 Jan 15. PMID: 24387306; PMCID: PMC3954503.",,,,,https://pubmed.ncbi.nlm.nih.gov/24387306/,,,,,,Not Found,No,No,,,,
DBoRL2130,DCC 5 (2014),"N-[(2S,4E,7S)-1,8-bis[(2S)-2-{[(1S)-1-[(3-azaniumylpropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-7-({2-ethylbenzo[g]quinolin-3-yl}formamido)-1,8-dioxooct-4-en-2-yl]-2-ethylbenzo[g]quinoline-3-carboxamide",CCC1=C(C=C2C=C3C=CC=CC3=CC2=N1)C(=O)N[C@@H](C\C=C\C[C@H](NC(=O)C1=C(CC)N=C2C=C3C=CC=CC3=CC2=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCC[NH3+],"InChI=1S/C74H84N12O8/c1-3-57-55(43-53-41-49-25-11-13-27-51(49)45-61(53)79-57)67(87)81-59(73(93)85-37-17-31-65(85)71(91)83-63(69(89)77-35-19-33-75)39-47-21-7-5-8-22-47)29-15-16-30-60(82-68(88)56-44-54-42-50-26-12-14-28-52(50)46-62(54)80-58(56)4-2)74(94)86-38-18-32-66(86)72(92)84-64(70(90)78-36-20-34-76)40-48-23-9-6-10-24-48/h5-16,21-28,41-46,59-60,63-66H,3-4,17-20,29-40,75-76H2,1-2H3,(H,77,89)(H,78,90)(H,81,87)(H,82,88)(H,83,91)(H,84,92)/p+2/b16-15+/t59-,60-,63-,64-,65-,66-/m0/s1",IURZJEPHDKZQIV-MONZBLLGSA-P,C74H86N12O8,Not Found,1271.58,5.437418206,8,10,28,10,HIV-1 Frameshift Site,"The life cycle of the human immunodeficiency virus type 1 (HIV-1) has an absolute requirement for ribosomal frameshifting during protein translation in order to produce the polyprotein precursor of the viral enzymes. An RNA stem loop structure (the ?HIV-1 Frameshift Stimulating Signal?, or HIV-1 FSS) controls the frameshift efficiency, DCC 5 (2014) selectively bind this RNA and interfere with HIV-1 replication.",24387306,,,,,,"Ofori LO, Hilimire TA, Bennett RP, Brown NW Jr, Smith HC, Miller BL. High-affinity recognition of HIV-1 frameshift-stimulating RNA alters frameshifting in vitro and interferes with HIV-1 infectivity. J Med Chem. 2014 Feb 13;57(3):723-32. doi: 10.1021/jm401438g. Epub 2014 Jan 15. PMID: 24387306; PMCID: PMC3954503.","Ofori LO, Hilimire TA, Bennett RP, Brown NW Jr, Smith HC, Miller BL. High-affinity recognition of HIV-1 frameshift-stimulating RNA alters frameshifting in vitro and interferes with HIV-1 infectivity. J Med Chem. 2014 Feb 13;57(3):723-32. doi: 10.1021/jm401438g. Epub 2014 Jan 15. PMID: 24387306; PMCID: PMC3954503.",,,,,https://pubmed.ncbi.nlm.nih.gov/24387306/,,,,,,Not Found,No,No,,,,
DBoRL2131,DCC 3 (2017),"N-[(2S)-1-[(2S)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-4-{4-[(2S)-3-[(2S)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-2-({2-ethylbenzo[g]quinolin-3-yl}formamido)-3-oxopropyl]-1H-1,2,3-triazol-1-yl}-1-oxobutan-2-yl]-2-ethylbenzo[g]quinoline-3-carboxamide",O=C(N1CCC[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCN)=O)=O)[C@@H](NC(C3=C(CC)N=C4C=C5C=CC=CC5=CC4=C3)=O)CCN6C=C(C[C@H](NC(C(C=C(C=C(C=CC=C7)C7=C8)C8=N9)=C9CC)=O)C(N%10CCC[C@H]%10C(N[C@@H](CC%11=CC=CC=C%11)C(NCCCN)=O)=O)=O)N=N6,"InChI=1S/C75H85N15O8/c1-3-58-56(41-53-39-49-23-11-13-25-51(49)43-61(53)80-58)68(91)82-60(74(97)89-34-15-27-66(89)72(95)83-63(70(93)78-32-17-30-76)37-47-19-7-5-8-20-47)29-36-88-46-55(86-87-88)45-65(85-69(92)57-42-54-40-50-24-12-14-26-52(50)44-62(54)81-59(57)4-2)75(98)90-35-16-28-67(90)73(96)84-64(71(94)79-33-18-31-77)38-48-21-9-6-10-22-48/h5-14,19-26,39-44,46,60,63-67H,3-4,15-18,27-38,45,76-77H2,1-2H3,(H,78,93)(H,79,94)(H,82,91)(H,83,95)(H,84,96)(H,85,92)/t60-,63-,64-,65-,66-,67-/m0/s1",STYYOLBLGYJCTR-HTPFLMOASA-N,C75H85N15O8,Not Found,1324.6,4.482781822,8,14,29,11,HIV-1 Frameshift Site,"Human Immunodeficiency Virus (HIV) type 1 uses a ?1 programmed ribosomal frameshift (?1 PRF) event to translate its enzymes from the same transcript used to encode the virus? structural proteins. Frameshifting is primarily regulated by the Frameshift Stimulatory Signal RNA (FSS-RNA). DCC 3 (2017) binds with HIV-1 Frameshift Site, which interferes with the frameshifting process.",28448121,,,,,,"Hilimire TA, Chamberlain JM, Anokhina V, Bennett RP, Swart O, Myers JR, Ashton JM, Stewart RA, Featherston AL, Gates K, Helms ED, Smith HC, Dewhurst S, Miller BL. HIV-1 Frameshift RNA-Targeted Triazoles Inhibit Propagation of Replication-Competent and Multi-Drug-Resistant HIV in Human Cells. ACS Chem Biol. 2017 Jun 16;12(6):1674-1682. doi: 10.1021/acschembio.7b00052. Epub 2017 May 5. PMID: 28448121; PMCID: PMC5477779.","Hilimire TA, Chamberlain JM, Anokhina V, Bennett RP, Swart O, Myers JR, Ashton JM, Stewart RA, Featherston AL, Gates K, Helms ED, Smith HC, Dewhurst S, Miller BL. HIV-1 Frameshift RNA-Targeted Triazoles Inhibit Propagation of Replication-Competent and Multi-Drug-Resistant HIV in Human Cells. ACS Chem Biol. 2017 Jun 16;12(6):1674-1682. doi: 10.1021/acschembio.7b00052. Epub 2017 May 5. PMID: 28448121; PMCID: PMC5477779.",,,,,https://pubmed.ncbi.nlm.nih.gov/28448121/,,,,,,129909470,No,No,,,,
DBoRL2132,DCC 4 (2017),"N-[(2S)-1-[(2S)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl](methyl)carbamoyl}pyrrolidin-1-yl]-4-{4-[(2S)-3-[(2S)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-2-({2-ethylbenzo[g]quinolin-3-yl}formamido)-3-oxopropyl]-1H-1,2,3-triazol-1-yl}-1-oxobutan-2-yl]-2-ethyl-N-methylbenzo[g]quinoline-3-carboxamide",O=C(N1CCC[C@H]1C(N(C)[C@@H](CC2=CC=CC=C2)C(NCCCN)=O)=O)[C@@H](N(C)C(C3=C(CC)N=C4C=C5C=CC=CC5=CC4=C3)=O)CCN6C=C(C[C@H](NC(C(C=C(C=C(C=CC=C7)C7=C8)C8=N9)=C9CC)=O)C(N%10CCC[C@H]%10C(N[C@@H](CC%11=CC=CC=C%11)C(NCCCN)=O)=O)=O)N=N6,"InChI=1S/C77H89N15O8/c1-5-60-58(43-55-41-51-25-13-15-27-53(51)45-62(55)82-60)70(93)85-65(75(98)91-36-17-29-66(91)73(96)84-64(71(94)80-34-19-32-78)39-49-21-9-7-10-22-49)47-57-48-90(87-86-57)38-31-67(88(3)74(97)59-44-56-42-52-26-14-16-28-54(52)46-63(56)83-61(59)6-2)77(100)92-37-18-30-68(92)76(99)89(4)69(72(95)81-35-20-33-79)40-50-23-11-8-12-24-50/h7-16,21-28,41-46,48,64-69H,5-6,17-20,29-40,47,78-79H2,1-4H3,(H,80,94)(H,81,95)(H,84,96)(H,85,93)/t64-,65-,66-,67-,68-,69-/m0/s1",SRWGXJUJKZTFFL-FDUKIOHSSA-N,C77H89N15O8,Not Found,1352.66,4.930133953,6,14,29,11,HIV-1 Frameshift Site,"Human Immunodeficiency Virus (HIV) type 1 uses a ?1 programmed ribosomal frameshift (?1 PRF) event to translate its enzymes from the same transcript used to encode the virus? structural proteins. Frameshifting is primarily regulated by the Frameshift Stimulatory Signal RNA (FSS-RNA). DCC 4 (2017) binds with HIV-1 Frameshift Site, which interferes with the frameshifting process.",28448121,,,,,,"Hilimire TA, Chamberlain JM, Anokhina V, Bennett RP, Swart O, Myers JR, Ashton JM, Stewart RA, Featherston AL, Gates K, Helms ED, Smith HC, Dewhurst S, Miller BL. HIV-1 Frameshift RNA-Targeted Triazoles Inhibit Propagation of Replication-Competent and Multi-Drug-Resistant HIV in Human Cells. ACS Chem Biol. 2017 Jun 16;12(6):1674-1682. doi: 10.1021/acschembio.7b00052. Epub 2017 May 5. PMID: 28448121; PMCID: PMC5477779.","Hilimire TA, Chamberlain JM, Anokhina V, Bennett RP, Swart O, Myers JR, Ashton JM, Stewart RA, Featherston AL, Gates K, Helms ED, Smith HC, Dewhurst S, Miller BL. HIV-1 Frameshift RNA-Targeted Triazoles Inhibit Propagation of Replication-Competent and Multi-Drug-Resistant HIV in Human Cells. ACS Chem Biol. 2017 Jun 16;12(6):1674-1682. doi: 10.1021/acschembio.7b00052. Epub 2017 May 5. PMID: 28448121; PMCID: PMC5477779.",,,,,https://pubmed.ncbi.nlm.nih.gov/28448121/,,,,,,129909502,No,No,,,,
DBoRL2133,DCC 5 (2017),"N-[(2S)-4-{4-[(2S)-3-[(2S)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl](methyl)carbamoyl}pyrrolidin-1-yl]-2-({2-ethylbenzo[g]quinolin-3-yl}formamido)-3-oxopropyl]-1H-1,2,3-triazol-1-yl}-1-[(2S)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-ethyl-N-methylbenzo[g]quinoline-3-carboxamide",O=C(N1CCC[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCN)=O)=O)[C@@H](N(C)C(C3=C(CC)N=C4C=C5C=CC=CC5=CC4=C3)=O)CCN6C=C(C[C@H](NC(C(C=C(C=C(C=CC=C7)C7=C8)C8=N9)=C9CC)=O)C(N%10CCC[C@H]%10C(N(C)[C@@H](CC%11=CC=CC=C%11)C(NCCCN)=O)=O)=O)N=N6,"InChI=1S/C77H89N15O8/c1-5-60-58(43-55-41-51-25-13-15-27-53(51)45-62(55)82-60)70(93)85-65(75(98)92-37-18-30-68(92)76(99)89(4)69(72(95)81-35-20-33-79)40-50-23-11-8-12-24-50)47-57-48-90(87-86-57)38-31-67(88(3)74(97)59-44-56-42-52-26-14-16-28-54(52)46-63(56)83-61(59)6-2)77(100)91-36-17-29-66(91)73(96)84-64(71(94)80-34-19-32-78)39-49-21-9-7-10-22-49/h7-16,21-28,41-46,48,64-69H,5-6,17-20,29-40,47,78-79H2,1-4H3,(H,80,94)(H,81,95)(H,84,96)(H,85,93)/t64-,65-,66-,67-,68-,69-/m0/s1",KBBXSSKOPLDNDR-FDUKIOHSSA-N,C77H89N15O8,Not Found,1352.66,4.930133953,6,14,29,11,HIV-1 Frameshift Site,"Human Immunodeficiency Virus (HIV) type 1 uses a ?1 programmed ribosomal frameshift (?1 PRF) event to translate its enzymes from the same transcript used to encode the virus? structural proteins. Frameshifting is primarily regulated by the Frameshift Stimulatory Signal RNA (FSS-RNA). DCC 5 (2017) binds with HIV-1 Frameshift Site, which interferes with the frameshifting process.",28448121,,,,,,"Hilimire TA, Chamberlain JM, Anokhina V, Bennett RP, Swart O, Myers JR, Ashton JM, Stewart RA, Featherston AL, Gates K, Helms ED, Smith HC, Dewhurst S, Miller BL. HIV-1 Frameshift RNA-Targeted Triazoles Inhibit Propagation of Replication-Competent and Multi-Drug-Resistant HIV in Human Cells. ACS Chem Biol. 2017 Jun 16;12(6):1674-1682. doi: 10.1021/acschembio.7b00052. Epub 2017 May 5. PMID: 28448121; PMCID: PMC5477779.","Hilimire TA, Chamberlain JM, Anokhina V, Bennett RP, Swart O, Myers JR, Ashton JM, Stewart RA, Featherston AL, Gates K, Helms ED, Smith HC, Dewhurst S, Miller BL. HIV-1 Frameshift RNA-Targeted Triazoles Inhibit Propagation of Replication-Competent and Multi-Drug-Resistant HIV in Human Cells. ACS Chem Biol. 2017 Jun 16;12(6):1674-1682. doi: 10.1021/acschembio.7b00052. Epub 2017 May 5. PMID: 28448121; PMCID: PMC5477779.",,,,,https://pubmed.ncbi.nlm.nih.gov/28448121/,,,,,,129909503,No,No,,,,
DBoRL2134,DCC 7 (2017),"N-[(2S)-1-[(2S)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl](methyl)carbamoyl}pyrrolidin-1-yl]-4-{4-[(2S)-3-[(2S)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl](methyl)carbamoyl}pyrrolidin-1-yl]-2-(1-{2-ethylbenzo[g]quinolin-3-yl}-N-methylformamido)-3-oxopropyl]-1H-1,2,3-triazol-1-yl}-1-oxobutan-2-yl]-2-ethyl-N-methylbenzo[g]quinoline-3-carboxamide",O=C(N1CCC[C@H]1C(N(C)[C@@H](CC2=CC=CC=C2)C(NCCCN)=O)=O)[C@@H](N(C)C(C3=C(CC)N=C4C=C5C=CC=CC5=CC4=C3)=O)CCN6C=C(C[C@H](N(C)C(C(C=C(C=C(C=CC=C7)C7=C8)C8=N9)=C9CC)=O)C(N%10CCC[C@H]%10C(N(C)[C@@H](CC%11=CC=CC=C%11)C(NCCCN)=O)=O)=O)N=N6,"InChI=1S/C79H93N15O8/c1-7-62-60(45-57-43-53-27-15-17-29-55(53)47-64(57)84-62)74(97)88(3)66(78(101)93-38-19-31-67(93)76(99)89(4)69(72(95)82-36-21-34-80)41-51-23-11-9-12-24-51)33-40-92-50-59(86-87-92)49-71(91(6)75(98)61-46-58-44-54-28-16-18-30-56(54)48-65(58)85-63(61)8-2)79(102)94-39-20-32-68(94)77(100)90(5)70(73(96)83-37-22-35-81)42-52-25-13-10-14-26-52/h9-18,23-30,43-48,50,66-71H,7-8,19-22,31-42,49,80-81H2,1-6H3,(H,82,95)(H,83,96)/t66-,67-,68-,69-,70-,71-/m0/s1",QXVPWLPYINEYEF-MHWWTULJSA-N,C79H93N15O8,Not Found,1380.71,5.377486085,4,14,29,11,HIV-1 Frameshift Site,"Human Immunodeficiency Virus (HIV) type 1 uses a ?1 programmed ribosomal frameshift (?1 PRF) event to translate its enzymes from the same transcript used to encode the virus? structural proteins. Frameshifting is primarily regulated by the Frameshift Stimulatory Signal RNA (FSS-RNA). DCC 7 (2017) binds with HIV-1 Frameshift Site, which interferes with the frameshifting process.",28448121,,,,,,"Hilimire TA, Chamberlain JM, Anokhina V, Bennett RP, Swart O, Myers JR, Ashton JM, Stewart RA, Featherston AL, Gates K, Helms ED, Smith HC, Dewhurst S, Miller BL. HIV-1 Frameshift RNA-Targeted Triazoles Inhibit Propagation of Replication-Competent and Multi-Drug-Resistant HIV in Human Cells. ACS Chem Biol. 2017 Jun 16;12(6):1674-1682. doi: 10.1021/acschembio.7b00052. Epub 2017 May 5. PMID: 28448121; PMCID: PMC5477779.","Hilimire TA, Chamberlain JM, Anokhina V, Bennett RP, Swart O, Myers JR, Ashton JM, Stewart RA, Featherston AL, Gates K, Helms ED, Smith HC, Dewhurst S, Miller BL. HIV-1 Frameshift RNA-Targeted Triazoles Inhibit Propagation of Replication-Competent and Multi-Drug-Resistant HIV in Human Cells. ACS Chem Biol. 2017 Jun 16;12(6):1674-1682. doi: 10.1021/acschembio.7b00052. Epub 2017 May 5. PMID: 28448121; PMCID: PMC5477779.",,,,,https://pubmed.ncbi.nlm.nih.gov/28448121/,,,,,,129909068,No,No,,,,
DBoRL2135,DDAP,"N-[3-({9-[(3-aminopropyl)amino]-1,10-phenanthrolin-2-yl}amino)propyl]-3-[(2-{[3-({9-[(3-aminopropyl)amino]-1,10-phenanthrolin-2-yl}amino)propyl]carbamoyl}ethyl)amino]propanamide",NCCCNC1=CC=C2C(C(N=C(NCCCNC(CCNCCC(NCCCNC3=NC(C4=NC(NCCCN)=CC=C4C=C5)=C5C=C3)=O)=O)C=C6)=C6C=C2)=N1,"InChI=1S/C42H55N13O2/c43-19-1-21-46-33-13-9-29-5-7-31-11-15-35(54-41(31)39(29)52-33)48-23-3-25-50-37(56)17-27-45-28-18-38(57)51-26-4-24-49-36-16-12-32-8-6-30-10-14-34(47-22-2-20-44)53-40(30)42(32)55-36/h5-16,45H,1-4,17-28,43-44H2,(H,46,52)(H,47,53)(H,48,54)(H,49,55)(H,50,56)(H,51,57)",VQGBTMUFGAAVQP-UHFFFAOYSA-N,C42H55N13O2,Not Found,773.991,1.219454856,9,13,24,6,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,DDAP (a dimeric form of the CUG-binding molecule DAP) binds with r(CUG) repeats of myotonic dystrophy and effect on the misregulation of splicing by improving alternative splicing.,30302858,,,,,,"Li J, Nakamori M, Matsumoto J, Murata A, Dohno C, Kiliszek A, Taylor K, Sobczak K, Nakatani K. A Dimeric 2,9-Diamino-1,10-phenanthroline Derivative Improves Alternative Splicing in Myotonic Dystrophy Type?1 Cell and Mouse Models. Chemistry. 2018 Dec 5;24(68):18115-18122. doi: 10.1002/chem.201804368. Epub 2018 Nov 9. PMID: 30302858.","Li J, Nakamori M, Matsumoto J, Murata A, Dohno C, Kiliszek A, Taylor K, Sobczak K, Nakatani K. A Dimeric 2,9-Diamino-1,10-phenanthroline Derivative Improves Alternative Splicing in Myotonic Dystrophy Type?1 Cell and Mouse Models. Chemistry. 2018 Dec 5;24(68):18115-18122. doi: 10.1002/chem.201804368. Epub 2018 Nov 9. PMID: 30302858.",,,,,https://pubmed.ncbi.nlm.nih.gov/30302858/,,,,,,Not Found,No,No,,,,
DBoRL2136,Compound 4,"N-[(2S)-1-[(2S)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl](methyl)carbamoyl}pyrrolidin-1-yl]-3-{1-[(3S)-4-[(2S)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl](methyl)carbamoyl}pyrrolidin-1-yl]-3-[1-(2-ethylquinolin-3-yl)-N-methylformamido]-4-oxobutyl]-1H-1,2,3-triazol-4-yl}-1-oxopropan-2-yl]-2-ethyl-N-methylquinoline-3-carboxamide",O=C([C@@H](N(C([C@H]1N(C([C@H](CCN2C=C(C[C@@H](C(N3CC([H])C[C@H]3C(N(C)[C@H](C(NCCCN)=O)CC4=CC=CC=C4)=O)=O)N(C)C(C5=C(CC)N=C(C=CC=C6)C6=C5)=O)N=N2)N(C)C(C7=C(CC)N=C(C=CC=C8)C8=C7)=O)=O)CC([H])C1)=O)C)CC9=CC=CC=C9)NCCCN,"InChI=1S/C71H89N15O8/c1-7-54-52(43-49-27-15-17-29-56(49)76-54)66(89)80(3)58(70(93)85-38-19-31-59(85)68(91)81(4)61(64(87)74-36-21-34-72)41-47-23-11-9-12-24-47)33-40-84-46-51(78-79-84)45-63(83(6)67(90)53-44-50-28-16-18-30-57(50)77-55(53)8-2)71(94)86-39-20-32-60(86)69(92)82(5)62(65(88)75-37-22-35-73)42-48-25-13-10-14-26-48/h9-18,23-30,43-44,46,58-63H,7-8,19-22,31-42,45,72-73H2,1-6H3,(H,74,87)(H,75,88)/t58-,59-,60-,61-,62-,63-/m0/s1",WPRJFLLJPSWRPM-DIGKZBRYSA-N,C71H89N15O8,Not Found,1280.59,3.398532571,4,14,29,9,HIV-1 Frameshift Stimulatory Sequence (FSS),"In HIV, ribosomal frameshifting controls the ratio of Gag and Gag-Pol, two polyproteins critical to the HIV life cycle. The compound targets HIV-1 Frameshift Stimulatory Sequence (FSS) and alter the production of Gag-Pol. For this the HIV virus become unable to survive.",31101492,,,,,,"Anokhina VS, McAnany JD, Ciesla JH, Hilimire TA, Santoso N, Miao H, Miller BL. Enhancing the ligand efficiency of anti-HIV compounds targeting frameshift-stimulating RNA. Bioorg Med Chem. 2019 Jul 1;27(13):2972-2977. doi: 10.1016/j.bmc.2019.05.009. Epub 2019 May 9. PMID: 31101492; PMCID: PMC6589821.","Anokhina VS, McAnany JD, Ciesla JH, Hilimire TA, Santoso N, Miao H, Miller BL. Enhancing the ligand efficiency of anti-HIV compounds targeting frameshift-stimulating RNA. Bioorg Med Chem. 2019 Jul 1;27(13):2972-2977. doi: 10.1016/j.bmc.2019.05.009. Epub 2019 May 9. PMID: 31101492; PMCID: PMC6589821.",,,,,https://pubmed.ncbi.nlm.nih.gov/31101492/,,,,,,155524952,No,No,,,,
DBoRL2137,Compound 5,"N-[(2S)-1-[(2S,4R)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl](methyl)carbamoyl}-4-hydroxypyrrolidin-1-yl]-3-{1-[(3S)-4-[(2S,4R)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl](methyl)carbamoyl}-4-hydroxypyrrolidin-1-yl]-3-[1-(2-ethylquinolin-3-yl)-N-methylformamido]-4-oxobutyl]-1H-1,2,3-triazol-4-yl}-1-oxopropan-2-yl]-2-ethyl-N-methylquinoline-3-carboxamide",O=C([C@@H](N(C([C@H]1N(C([C@H](CCN2C=C(C[C@@H](C(N3C[C@H](O)C[C@H]3C(N(C)[C@H](C(NCCCN)=O)CC4=CC=CC=C4)=O)=O)N(C)C(C5=C(CC)N=C(C=CC=C6)C6=C5)=O)N=N2)N(C)C(C7=C(CC)N=C(C=CC=C8)C8=C7)=O)=O)C[C@H](O)C1)=O)C)CC9=CC=CC=C9)NCCCN,"InChI=1S/C71H89N15O10/c1-7-54-52(37-47-25-15-17-27-56(47)76-54)66(91)80(3)58(70(95)85-43-50(87)40-62(85)68(93)81(4)59(64(89)74-32-19-30-72)35-45-21-11-9-12-22-45)29-34-84-42-49(78-79-84)39-61(83(6)67(92)53-38-48-26-16-18-28-57(48)77-55(53)8-2)71(96)86-44-51(88)41-63(86)69(94)82(5)60(65(90)75-33-20-31-73)36-46-23-13-10-14-24-46/h9-18,21-28,37-38,42,50-51,58-63,87-88H,7-8,19-20,29-36,39-41,43-44,72-73H2,1-6H3,(H,74,89)(H,75,90)/t50-,51-,58+,59+,60+,61+,62+,63+/m1/s1",BTBIZINITMGBRG-FCGYPMRLSA-N,C71H89N15O10,Not Found,1312.59,1.103137345,6,16,29,9,HIV-1 Frameshift Stimulatory Sequence (FSS),"In HIV, ribosomal frameshifting controls the ratio of Gag and Gag-Pol, two polyproteins critical to the HIV life cycle. The compound targets HIV-1 Frameshift Stimulatory Sequence (FSS) and alter the production of Gag-Pol. For this the HIV virus become unable to survive.",31101492,,,,,,"Anokhina VS, McAnany JD, Ciesla JH, Hilimire TA, Santoso N, Miao H, Miller BL. Enhancing the ligand efficiency of anti-HIV compounds targeting frameshift-stimulating RNA. Bioorg Med Chem. 2019 Jul 1;27(13):2972-2977. doi: 10.1016/j.bmc.2019.05.009. Epub 2019 May 9. PMID: 31101492; PMCID: PMC6589821.","Anokhina VS, McAnany JD, Ciesla JH, Hilimire TA, Santoso N, Miao H, Miller BL. Enhancing the ligand efficiency of anti-HIV compounds targeting frameshift-stimulating RNA. Bioorg Med Chem. 2019 Jul 1;27(13):2972-2977. doi: 10.1016/j.bmc.2019.05.009. Epub 2019 May 9. PMID: 31101492; PMCID: PMC6589821.",,,,,https://pubmed.ncbi.nlm.nih.gov/31101492/,,,,,,155534588,No,No,,,,
DBoRL2138,Compound 6,"N-[(2S)-1-[(2S)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl](methyl)carbamoyl}pyrrolidin-1-yl]-3-{1-[(3S)-4-[(2S)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl](methyl)carbamoyl}pyrrolidin-1-yl]-3-[N-methyl-1-(quinolin-3-yl)formamido]-4-oxobutyl]-1H-1,2,3-triazol-4-yl}-1-oxopropan-2-yl]-N-methylquinoline-3-carboxamide",O=C([C@@H](N(C([C@H]1N(C([C@H](CCN2C=C(C[C@@H](C(N3CC([H])C[C@H]3C(N(C)[C@H](C(NCCCN)=O)CC4=CC=CC=C4)=O)=O)N(C)C(C5=C([H])N=C(C=CC=C6)C6=C5)=O)N=N2)N(C)C(C7=C([H])N=C(C=CC=C8)C8=C7)=O)=O)CC([H])C1)=O)C)CC9=CC=CC=C9)NCCCN,"InChI=1S/C67H81N15O8/c1-76(62(85)49-39-47-23-11-13-25-52(47)72-42-49)54(66(89)81-34-15-27-55(81)64(87)77(2)57(60(83)70-32-17-30-68)37-45-19-7-5-8-20-45)29-36-80-44-51(74-75-80)41-59(79(4)63(86)50-40-48-24-12-14-26-53(48)73-43-50)67(90)82-35-16-28-56(82)65(88)78(3)58(61(84)71-33-18-31-69)38-46-21-9-6-10-22-46/h5-14,19-26,39-40,42-44,54-59H,15-18,27-38,41,68-69H2,1-4H3,(H,70,83)(H,71,84)/t54-,55-,56-,57-,58-,59-/m0/s1",FLQIQGRMWWEHQY-VKVONCCDSA-N,C67H81N15O8,Not Found,1224.48,1.734720539,4,14,27,9,HIV-1 Frameshift Stimulatory Sequence (FSS),"In HIV, ribosomal frameshifting controls the ratio of Gag and Gag-Pol, two polyproteins critical to the HIV life cycle. The compound targets HIV-1 Frameshift Stimulatory Sequence (FSS) and alter the production of Gag-Pol. For this the HIV virus become unable to survive.",31101492,,,,,,"Anokhina VS, McAnany JD, Ciesla JH, Hilimire TA, Santoso N, Miao H, Miller BL. Enhancing the ligand efficiency of anti-HIV compounds targeting frameshift-stimulating RNA. Bioorg Med Chem. 2019 Jul 1;27(13):2972-2977. doi: 10.1016/j.bmc.2019.05.009. Epub 2019 May 9. PMID: 31101492; PMCID: PMC6589821.","Anokhina VS, McAnany JD, Ciesla JH, Hilimire TA, Santoso N, Miao H, Miller BL. Enhancing the ligand efficiency of anti-HIV compounds targeting frameshift-stimulating RNA. Bioorg Med Chem. 2019 Jul 1;27(13):2972-2977. doi: 10.1016/j.bmc.2019.05.009. Epub 2019 May 9. PMID: 31101492; PMCID: PMC6589821.",,,,,https://pubmed.ncbi.nlm.nih.gov/31101492/,,,,,,155550427,No,No,,,,
DBoRL2139,Compound 7,"N-[(2S)-1-[(2S,4R)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl](methyl)carbamoyl}-4-hydroxypyrrolidin-1-yl]-3-{1-[(3S)-4-[(2S,4R)-2-{[(1S)-1-[(3-aminopropyl)carbamoyl]-2-phenylethyl](methyl)carbamoyl}-4-hydroxypyrrolidin-1-yl]-3-[N-methyl-1-(quinolin-3-yl)formamido]-4-oxobutyl]-1H-1,2,3-triazol-4-yl}-1-oxopropan-2-yl]-N-methylquinoline-3-carboxamide",O=C([C@@H](N(C([C@H]1N(C([C@H](CCN2C=C(C[C@@H](C(N3C[C@H](O)C[C@H]3C(N(C)[C@H](C(NCCCN)=O)CC4=CC=CC=C4)=O)=O)N(C)C(C5=C([H])N=C(C=CC=C6)C6=C5)=O)N=N2)N(C)C(C7=C([H])N=C(C=CC=C8)C8=C7)=O)=O)C[C@H](O)C1)=O)C)CC9=CC=CC=C9)NCCCN,"InChI=1S/C67H81N15O10/c1-76(62(87)47-33-45-21-11-13-23-52(45)72-38-47)54(66(91)81-41-50(83)36-58(81)64(89)77(2)55(60(85)70-28-15-26-68)31-43-17-7-5-8-18-43)25-30-80-40-49(74-75-80)35-57(79(4)63(88)48-34-46-22-12-14-24-53(46)73-39-48)67(92)82-42-51(84)37-59(82)65(90)78(3)56(61(86)71-29-16-27-69)32-44-19-9-6-10-20-44/h5-14,17-24,33-34,38-40,50-51,54-59,83-84H,15-16,25-32,35-37,41-42,68-69H2,1-4H3,(H,70,85)(H,71,86)/t50-,51-,54+,55+,56+,57+,58+,59+/m1/s1",HXWFQYXSWALUPL-KMUILQQWSA-N,C67H81N15O10,Not Found,1256.48,-0.560674687,6,16,27,9,HIV-1 Frameshift Stimulatory Sequence (FSS),"In HIV, ribosomal frameshifting controls the ratio of Gag and Gag-Pol, two polyproteins critical to the HIV life cycle. The compound targets HIV-1 Frameshift Stimulatory Sequence (FSS) and alter the production of Gag-Pol. For this the HIV virus become unable to survive.",31101492,,,,,,"Anokhina VS, McAnany JD, Ciesla JH, Hilimire TA, Santoso N, Miao H, Miller BL. Enhancing the ligand efficiency of anti-HIV compounds targeting frameshift-stimulating RNA. Bioorg Med Chem. 2019 Jul 1;27(13):2972-2977. doi: 10.1016/j.bmc.2019.05.009. Epub 2019 May 9. PMID: 31101492; PMCID: PMC6589821.","Anokhina VS, McAnany JD, Ciesla JH, Hilimire TA, Santoso N, Miao H, Miller BL. Enhancing the ligand efficiency of anti-HIV compounds targeting frameshift-stimulating RNA. Bioorg Med Chem. 2019 Jul 1;27(13):2972-2977. doi: 10.1016/j.bmc.2019.05.009. Epub 2019 May 9. PMID: 31101492; PMCID: PMC6589821.",,,,,https://pubmed.ncbi.nlm.nih.gov/31101492/,,,,,,155564303,No,No,,,,
DBoRL2140,Targaprimir-515,"N-{3-[4-({[({[({[({[(carbamoylmethyl)[(1-{3-[4-(2,6-di-tert-butyl-4-{5-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamido]propyl}-1H-1,2,3-triazol-4-yl)methyl]carbamoyl]methyl}(propyl)carbamoyl)methyl](propyl)carbamoyl}methyl)(propyl)carbamoyl]methyl}(propyl)carbamoyl)methyl]amino}methyl)-1H-1,2,3-triazol-1-yl]propyl}-4-(2,6-di-tert-butyl-4-{5-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamide",NC(CN(C(CN(CCC)C(CN(CCC)C(CN(CCC)C(CN(CCC)C(CNCC1=CN(CCCNC(CCCOC2=C(C(C)(C)C)C=C(C3=NC(C=C(C4=NC(C=CC(N5CCN(C)CC5)=C6)=C6N4)C=C7)=C7N3)C=C2C(C)(C)C)=O)N=N1)=O)=O)=O)=O)=O)CC8=CN(CCCNC(CCCOC9=C(C(C)(C)C)C=C(C%10=NC(C=C(C%11=NC(C=CC(N%12CCN(C)CC%12)=C%13)=C%13N%11)C=C%14)=C%14N%10)C=C9C(C)(C)C)=O)N=N8)=O,"InChI=1S/C110H153N27O10/c1-19-39-131(96(141)64-112-63-77-66-136(125-123-77)43-25-37-113-94(139)27-23-53-146-101-81(107(5,6)7)55-75(56-82(101)108(8,9)10)105-117-85-33-29-73(59-89(85)119-105)103-115-87-35-31-79(61-91(87)121-103)129-49-45-127(17)46-50-129)69-97(142)132(40-20-2)70-98(143)133(41-21-3)71-99(144)134(42-22-4)72-100(145)135(68-93(111)138)65-78-67-137(126-124-78)44-26-38-114-95(140)28-24-54-147-102-83(109(11,12)13)57-76(58-84(102)110(14,15)16)106-118-86-34-30-74(60-90(86)120-106)104-116-88-36-32-80(62-92(88)122-104)130-51-47-128(18)48-52-130/h29-36,55-62,66-67,112H,19-28,37-54,63-65,68-72H2,1-18H3,(H2,111,138)(H,113,139)(H,114,140)(H,115,121)(H,116,122)(H,117,119)(H,118,120)",WDIBEZAZPUXQHC-UHFFFAOYSA-N,C110H153N27O10,Not Found,2013.61,10.87677198,8,23,52,14,Pri-miRNA-515,"Targaprimir-515 binds with Drosha processing sites of the microRNA (miR)-515 (5?UUC3?/ 3?GCG5?) hairpin precursors. In cells, Targaprimir-515 inhibited the biogenesis of miRNA-515.",30726072,,,,,,"Costales MG, Hoch DG, Abegg D, Childs-Disney JL, Velagapudi SP, Adibekian A, Disney MD. A Designed Small Molecule Inhibitor of a Non-Coding RNA Sensitizes HER2 Negative Cancers to Herceptin. J Am Chem Soc. 2019 Feb 20;141(7):2960-2974. doi: 10.1021/jacs.8b10558. Epub 2019 Feb 6. PMID: 30726072; PMCID: PMC6400281.","Costales MG, Hoch DG, Abegg D, Childs-Disney JL, Velagapudi SP, Adibekian A, Disney MD. A Designed Small Molecule Inhibitor of a Non-Coding RNA Sensitizes HER2 Negative Cancers to Herceptin. J Am Chem Soc. 2019 Feb 20;141(7):2960-2974. doi: 10.1021/jacs.8b10558. Epub 2019 Feb 6. PMID: 30726072; PMCID: PMC6400281.",,,,,https://pubmed.ncbi.nlm.nih.gov/30726072/,,,,,,Not Found,No,No,,,,
DBoRL2141,Compound 7,"2-({[3-({[2,5-bis({[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoyl})phenyl]carbamoyl}amino)phenyl]carbamoyl}amino)-N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide",O=C(NC1=CC=C(C2=NCCN2)C=C1)C3=CC(NC(NC4=CC(NC(NC5=C(C(NC6=CC=C(C7=NCCN7)C=C6)=O)C=CC(C(NC8=CC=C(C9=NCCN9)C=C8)=O)=C5)=O)=CC=C4)=O)=C(C(NC%10=CC=C(C%11=NCCN%11)C=C%10)=O)C=C3,"InChI=1S/C60H54N16O6/c77-55(69-41-14-4-35(5-15-41)51-61-24-25-62-51)39-12-22-47(57(79)71-43-18-8-37(9-19-43)53-65-28-29-66-53)49(32-39)75-59(81)73-45-2-1-3-46(34-45)74-60(82)76-50-33-40(56(78)70-42-16-6-36(7-17-42)52-63-26-27-64-52)13-23-48(50)58(80)72-44-20-10-38(11-21-44)54-67-30-31-68-54/h1-23,32-34H,24-31H2,(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,69,77)(H,70,78)(H,71,79)(H,72,80)(H2,73,75,81)(H2,74,76,82)",PDCYRKFHFCUWDJ-UHFFFAOYSA-N,C60H54N16O6,5300-65-2,1095.2,5.006551948,12,14,16,11,Hepatitus C Virus (HCV) SL I-III,"The compound avidly binds with RNA motifs (i.e., SL I-III) which are present in the HCV 3?UTR and inhibited viral replication while having no effect on host cells.",30719503,,,,,,"Childs-Disney JL, Tran T, Vummidi BR, Velagapudi SP, Haniff HS, Matsumoto Y, Crynen G, Southern MR, Biswas A, Wang ZF, Tellinghuisen TL, Disney MD. A Massively Parallel Selection of Small Molecule-RNA Motif Binding Partners Informs Design of an Antiviral from Sequence. Chem. 2018 Oct 11;4(10):2384-2404. doi: 10.1016/j.chempr.2018.08.003. Epub 2018 Sep 13. PMID: 30719503; PMCID: PMC6358276.","Childs-Disney JL, Tran T, Vummidi BR, Velagapudi SP, Haniff HS, Matsumoto Y, Crynen G, Southern MR, Biswas A, Wang ZF, Tellinghuisen TL, Disney MD. A Massively Parallel Selection of Small Molecule-RNA Motif Binding Partners Informs Design of an Antiviral from Sequence. Chem. 2018 Oct 11;4(10):2384-2404. doi: 10.1016/j.chempr.2018.08.003. Epub 2018 Sep 13. PMID: 30719503; PMCID: PMC6358276.",,,,,https://pubmed.ncbi.nlm.nih.gov/30719503/,,,,,,16129988,No,No,,,,
DBoRL2142,Compound 12,"(1R,2S,3R,5S,6S)-3,5-diamino-7-oxaspiro[5.6]dodec-9-ene-1,2-diol",N[C@@H]1C[C@H](N)[C@@]2(CCC=CCO2)[C@H](O)[C@H]1O,"InChI=1S/C11H20N2O3/c12-7-6-8(13)11(10(15)9(7)14)4-2-1-3-5-16-11/h1,3,7-10,14-15H,2,4-6,12-13H2/t7-,8+,9+,10-,11+/m1/s1",XXQDSDDUNXRBHF-KJPMQGKISA-N,C11H20N2O3,Not Found,228.292,-1.649662747,4,5,0,2,bacterial (A-site) in 16S rRNA,Mode of action is not known.,2141083,,,,,,Yuzpe AA. Pneumoperitoneum needle and trocar injuries in laparoscopy. A survey on possible contributing factors and prevention. J Reprod Med. 1990 May;35(5):485-90. PMID: 2141083.,Yuzpe AA. Pneumoperitoneum needle and trocar injuries in laparoscopy. A survey on possible contributing factors and prevention. J Reprod Med. 1990 May;35(5):485-90. PMID: 2141083.,,,,,https://pubmed.ncbi.nlm.nih.gov/2141083/,,,,,,50925560,No,No,,,,
DBoRL2143,Compound 11,"(1R,2S,3R,5S,6S)-5-amino-3-[(2,2-dimethylpent-4-en-1-yl)amino]-7-oxaspiro[5.6]dodec-9-ene-1,2-diol",CC(C)(CN[C@@H]1C[C@H](N)[C@@]2(CCC=CCO2)[C@H](O)[C@H]1O)CC=C,"InChI=1S/C18H32N2O3/c1-4-8-17(2,3)12-20-13-11-14(19)18(16(22)15(13)21)9-6-5-7-10-23-18/h4-5,7,13-16,20-22H,1,6,8-12,19H2,2-3H3/t13-,14+,15+,16-,18+/m1/s1",DMJPZNSQIMFJNQ-JFBPSJKJSA-N,C18H32N2O3,Not Found,324.465,0.990371016,4,5,5,2,bacterial (A-site) in 16S rRNA,Mode of action is not known.,2141083,,,,,,Yuzpe AA. Pneumoperitoneum needle and trocar injuries in laparoscopy. A survey on possible contributing factors and prevention. J Reprod Med. 1990 May;35(5):485-90. PMID: 2141083.,Yuzpe AA. Pneumoperitoneum needle and trocar injuries in laparoscopy. A survey on possible contributing factors and prevention. J Reprod Med. 1990 May;35(5):485-90. PMID: 2141083.,,,,,https://pubmed.ncbi.nlm.nih.gov/2141083/,,,,,,53325066,No,No,,,,
DBoRL2144,Compound 19,"(2S)-4-amino-N-[(1R,2S,3R,5S,6S,9R,10S)-5-amino-1,2,9,10-tetrahydroxy-7-oxaspiro[5.6]dodecan-3-yl]-2-hydroxybutanamide",NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@]2(CC[C@H](O)[C@H](O)CO2)[C@H](O)[C@H]1O,"InChI=1S/C15H29N3O7/c16-4-2-9(20)14(24)18-7-5-11(17)15(13(23)12(7)22)3-1-8(19)10(21)6-25-15/h7-13,19-23H,1-6,16-17H2,(H,18,24)/t7-,8+,9+,10-,11+,12+,13-,15+/m1/s1",MVNXFAATSXFNAH-IGSLCTNXSA-N,C15H29N3O7,Not Found,363.411,-5.116924989,8,9,4,2,bacterial (A-site) in 16S rRNA,Mode of action is not known.,2141083,,,,,,Yuzpe AA. Pneumoperitoneum needle and trocar injuries in laparoscopy. A survey on possible contributing factors and prevention. J Reprod Med. 1990 May;35(5):485-90. PMID: 2141083.,Yuzpe AA. Pneumoperitoneum needle and trocar injuries in laparoscopy. A survey on possible contributing factors and prevention. J Reprod Med. 1990 May;35(5):485-90. PMID: 2141083.,,,,,https://pubmed.ncbi.nlm.nih.gov/2141083/,,,,,,50925558,No,No,,,,
DBoRL2145,Compound 20,"(2S)-2,6-diamino-N-[(1R,2S,3R,5S,6S,9R,10S)-5-amino-1,2,9,10-tetrahydroxy-7-oxaspiro[5.6]dodecan-3-yl]hexanamide",NCCCC[C@H](N)C(=O)N[C@@H]1C[C@H](N)[C@@]2(CC[C@H](O)[C@H](O)CO2)[C@H](O)[C@H]1O,"InChI=1S/C17H34N4O6/c18-6-2-1-3-9(19)16(26)21-10-7-13(20)17(15(25)14(10)24)5-4-11(22)12(23)8-27-17/h9-15,22-25H,1-8,18-20H2,(H,21,26)/t9-,10+,11-,12+,13-,14-,15+,17-/m0/s1",QEAGMRJMUFPDHD-HCZZMEHVSA-N,C17H34N4O6,Not Found,390.481,-4.26187545,8,9,6,2,bacterial (A-site) in 16S rRNA,Mode of action is not known.,2141083,,,,,,Yuzpe AA. Pneumoperitoneum needle and trocar injuries in laparoscopy. A survey on possible contributing factors and prevention. J Reprod Med. 1990 May;35(5):485-90. PMID: 2141083.,Yuzpe AA. Pneumoperitoneum needle and trocar injuries in laparoscopy. A survey on possible contributing factors and prevention. J Reprod Med. 1990 May;35(5):485-90. PMID: 2141083.,,,,,https://pubmed.ncbi.nlm.nih.gov/2141083/,,,,,,50925559,No,No,,,,
DBoRL2146,,"(3R,4S,6S,7R,8S,9R,11S)-9,11-diamino-1-oxaspiro[5.5]undecane-3,4,7,8-tetrol",N[C@@H]1C[C@H](N)[C@@]2(C[C@H](O)[C@H](O)CO2)[C@H](O)[C@H]1O,"InChI=1S/C10H20N2O5/c11-4-1-7(12)10(9(16)8(4)15)2-5(13)6(14)3-17-10/h4-9,13-16H,1-3,11-12H2/t4-,5+,6-,7+,8+,9-,10+/m1/s1",WKLYSPFGRRAVMM-FZXYNJJMSA-N,C10H20N2O5,Not Found,248.279,-4.110818435,6,7,0,2,bacterial (A-site) in 16S rRNA,Mode of action is not known.,2141083,,,,,,Yuzpe AA. Pneumoperitoneum needle and trocar injuries in laparoscopy. A survey on possible contributing factors and prevention. J Reprod Med. 1990 May;35(5):485-90. PMID: 2141083.,Yuzpe AA. Pneumoperitoneum needle and trocar injuries in laparoscopy. A survey on possible contributing factors and prevention. J Reprod Med. 1990 May;35(5):485-90. PMID: 2141083.,,,,,https://pubmed.ncbi.nlm.nih.gov/2141083/,,,,,,53321105,No,No,,,,
DBoRL2147,,"(1R,2S,3R,5S,6S,9S,10R)-3,5-diamino-7-oxaspiro[5.6]dodecane-1,2,9,10-tetrol",N[C@@H]1C[C@H](N)[C@@]2(CC[C@@H](O)[C@@H](O)CO2)[C@H](O)[C@H]1O,"InChI=1S/C11H22N2O5/c12-5-3-8(13)11(10(17)9(5)16)2-1-6(14)7(15)4-18-11/h5-10,14-17H,1-4,12-13H2/t5-,6-,7+,8+,9+,10-,11+/m1/s1",IQZYORNOCKXPPZ-IZENVQDKSA-N,C11H22N2O5,Not Found,262.306,-3.593455764,6,7,0,2,bacterial (A-site) in 16S rRNA,Mode of action is not known.,2141083,,,,,,Yuzpe AA. Pneumoperitoneum needle and trocar injuries in laparoscopy. A survey on possible contributing factors and prevention. J Reprod Med. 1990 May;35(5):485-90. PMID: 2141083.,Yuzpe AA. Pneumoperitoneum needle and trocar injuries in laparoscopy. A survey on possible contributing factors and prevention. J Reprod Med. 1990 May;35(5):485-90. PMID: 2141083.,,,,,https://pubmed.ncbi.nlm.nih.gov/2141083/,,,,,,53317195,No,No,,,,
DBoRL2148,,"(1R,2S,3R,5S,6S,9R,10S)-3,5-diamino-7-oxaspiro[5.6]dodecane-1,2,9,10-tetrol",N[C@@H]1C[C@H](N)[C@@]2(CC[C@H](O)[C@H](O)CO2)[C@H](O)[C@H]1O,"InChI=1S/C11H22N2O5/c12-5-3-8(13)11(10(17)9(5)16)2-1-6(14)7(15)4-18-11/h5-10,14-17H,1-4,12-13H2/t5-,6+,7-,8+,9+,10-,11+/m1/s1",IQZYORNOCKXPPZ-WNWDDGRKSA-N,C11H22N2O5,Not Found,262.306,-3.593455764,6,7,0,2,bacterial (A-site) in 16S rRNA,Mode of action is not known.,2141083,,,,,,Yuzpe AA. Pneumoperitoneum needle and trocar injuries in laparoscopy. A survey on possible contributing factors and prevention. J Reprod Med. 1990 May;35(5):485-90. PMID: 2141083.,Yuzpe AA. Pneumoperitoneum needle and trocar injuries in laparoscopy. A survey on possible contributing factors and prevention. J Reprod Med. 1990 May;35(5):485-90. PMID: 2141083.,,,,,https://pubmed.ncbi.nlm.nih.gov/2141083/,,,,,,53326364,No,No,,,,
DBoRL2149,9 (NSC252359),"1-[2-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methylpiperazine",CN1CCN(CC1)C1=CC(C)=NC2=NC(=NN12)C1=CC=C(Cl)C=C1,"InChI=1S/C17H19ClN6/c1-12-11-15(23-9-7-22(2)8-10-23)24-17(19-12)20-16(21-24)13-3-5-14(18)6-4-13/h3-6,11H,7-10H2,1-2H3",NBVBJTYUHRBBTF-UHFFFAOYSA-N,C17H19ClN6,Not Found,342.83,3.515011556,0,5,2,4,SL3 of the HIV-1 psi-site,Mode of action is not known.,9691339,,,,,,"Halkic N, Scholl B. Z?kum-Volvulus [Cecum volvulus]. Schweiz Med Wochenschr. 1998 Jun 20;128(25):1030. German. PMID: 9691339.","Halkic N, Scholl B. Z?kum-Volvulus [Cecum volvulus]. Schweiz Med Wochenschr. 1998 Jun 20;128(25):1030. German. PMID: 9691339.",,,,,https://pubmed.ncbi.nlm.nih.gov/9691339/,,,,,,318119,No,No,,,,
DBoRL2150,5 (NSC123111),"{11-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.0?,?.0?,?]trideca-1(9),7,11-trien-8-yl}methyl carbamate",COC1=C(C)C(=O)C2=C(C(COC(N)=O)=C3C4C(CN23)N4C)C1=O,"InChI=1/C16H17N3O5/c1-6-13(20)12-9(14(21)15(6)23-3)7(5-24-16(17)22)10-11-8(18(11)2)4-19(10)12/h8,11H,4-5H2,1-3H3,(H2,17,22)",FSJQMPDKDHPEJH-UHFFFAOYNA-N,C16H17N3O5,Not Found,331.328,-0.314288297,1,5,4,4,SL3 of the HIV-1 psi-site,Mode of action is not known.,9691339,,,,,,"Halkic N, Scholl B. Z?kum-Volvulus [Cecum volvulus]. Schweiz Med Wochenschr. 1998 Jun 20;128(25):1030. German. PMID: 9691339.","Halkic N, Scholl B. Z?kum-Volvulus [Cecum volvulus]. Schweiz Med Wochenschr. 1998 Jun 20;128(25):1030. German. PMID: 9691339.",,,,,https://pubmed.ncbi.nlm.nih.gov/9691339/,,,,,,27590,No,No,,,,
DBoRL2151,ATP,"({[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid",NC1=NC=NC2=C1N=CN2C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O,"InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)",ZKHQWZAMYRWXGA-UHFFFAOYNA-N,C10H16N5O13P3,Not Found,507.181,-5.425345074,7,14,8,3,SSA-1: 5'-[TTAATTCTGGGGGAGCC-TTTTGTGGGTAGGGCGGGTTGGTTTT-GCCCCGGAGGAGGAATT]-3',Will be updated soon.,24168267,,,,,,"Oh SS, Plakos K, Xiao Y, Eisenstein M, Soh HT. In vitro selection of shape-changing DNA nanostructures capable of binding-induced cargo release. ACS Nano. 2013 Nov 26;7(11):9675-83. doi: 10.1021/nn404079v. Epub 2013 Nov 4. PMID: 24168267; PMCID: PMC3919467.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24168267/,,,,,,238,Yes,No,Investigational Nutraceutical,DB00171,https://go.drugbank.com/drugs/DB00171,
DBoRL2152,ABA,"(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid",C\C(\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C)=C\C(O)=O,"InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1",JLIDBLDQVAYHNE-YKALOCIXSA-N,C15H20O4,21293-29-8,264.321,2.093275493,2,4,3,1,Aptamer 2: 5'-[GCGGATGAAGACTGGTGT CCCTTATGGTGGGTGCGCTGGGGCTGCAATCTTTTGGCTG GCCCTAAATACGAGCAAC]-3',Will be updated soon.,23971905,,,,,,"Grozio A, Gonzalez VM, Millo E, Sturla L, Vigliarolo T, Bagnasco L, Guida L, D'Arrigo C, De Flora A, Salis A, Martin EM, Bellotti M, Zocchi E. Selection and characterization of single stranded DNA aptamers for the hormone abscisic Acid. Nucleic Acid Ther. 2013 Oct;23(5):322-31. doi: 10.1089/nat.2013.0418. Epub 2013 Aug 24. PMID: 23971905; PMCID: PMC3760064.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23971905/,,,,,,5280896,No,No,,,,
DBoRL2153,ABA,"(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid",C\C(\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C)=C\C(O)=O,"InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1",JLIDBLDQVAYHNE-YKALOCIXSA-N,C15H20O4,21293-29-8,264.321,2.093275493,2,4,3,1,aptamer 9: 5'-[GCGGATGAAGACTGGTGT GAGGGGATGGGTTAGGTGGAGGTGGTTATTCCGGGAATTA GCCCTAAATACGAGCAAC]-3',Will be updated soon.,23971905,,,,,,"Grozio A, Gonzalez VM, Millo E, Sturla L, Vigliarolo T, Bagnasco L, Guida L, D'Arrigo C, De Flora A, Salis A, Martin EM, Bellotti M, Zocchi E. Selection and characterization of single stranded DNA aptamers for the hormone abscisic Acid. Nucleic Acid Ther. 2013 Oct;23(5):322-31. doi: 10.1089/nat.2013.0418. Epub 2013 Aug 24. PMID: 23971905; PMCID: PMC3760064.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23971905/,,,,,,5280896,No,No,,,,
DBoRL2154,opi?M alkaloid codeine (3-methylmorphine),"(5R,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0?,??.0?,??.0?,??]octadeca-7(18),8,10,15-tetraen-14-ol",[H][C@@]12OC3=C(OC)C=CC4=C3C11CCN(C)[C@H](C4)[C@]1([H])C=C[C@@H]2O,"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18?/m0/s1",OROGSEYTTFOCAN-MMMSOEEVSA-N,C18H21NO3,Not Found,299.37,1.342951283,1,4,1,5,HL7-14: 5'-[CCCCCTGGGTCGGGAGGGAAGGGGGTTGGGGGTGCGG]-3',Will be updated soon.,23830440,,,,,,"Huang L, Yang X, Qi C, Niu X, Zhao C, Zhao X, Shangguan D, Yang Y. A label-free electrochemical biosensor based on a DNA aptamer against codeine. Anal Chim Acta. 2013 Jul 17;787:203-10. doi: 10.1016/j.aca.2013.05.024. Epub 2013 May 20. PMID: 23830440.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23830440/,,,,,,12303747,Yes,Yes,Illicit,DB00318,https://go.drugbank.com/drugs/DB00318,
DBoRL2155,CPT1,"N-(35-amino-3,6,9,12,15,18,21,24,27,30,33-undecaoxapentatriacontan-1-yl)-2-(carbamoylmethoxy)acetamide",[H]NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN,"InChI=1S/C28H57N3O14/c29-1-3-34-5-7-36-9-11-38-13-15-40-17-19-42-21-23-44-24-22-43-20-18-41-16-14-39-12-10-37-8-6-35-4-2-31-28(33)26-45-25-27(30)32/h1-26,29H2,(H2,30,32)(H,31,33)",BAVAARMTSOWAMX-UHFFFAOYSA-N,C28H57N3O14,Not Found,659.771,-3.62340751,3,15,39,0,CMA-70,Will be updated soon.,23734784,,,,,,"Imaizumi Y, Kasahara Y, Fujita H, Kitadume S, Ozaki H, Endoh T, Kuwahara M, Sugimoto N. Efficacy of base-modification on target binding of small molecule DNA aptamers. J Am Chem Soc. 2013 Jun 26;135(25):9412-9. doi: 10.1021/ja4012222. Epub 2013 Jun 18. PMID: 23734784.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23734784/,,,,,,Not Found,No,No,,,,
DBoRL2156,CPT1,"N-(35-amino-3,6,9,12,15,18,21,24,27,30,33-undecaoxapentatriacontan-1-yl)-2-(carbamoylmethoxy)acetamide",[H]NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN,"InChI=1S/C28H57N3O14/c29-1-3-34-5-7-36-9-11-38-13-15-40-17-19-42-21-23-44-24-22-43-20-18-41-16-14-39-12-10-37-8-6-35-4-2-31-28(33)26-45-25-27(30)32/h1-26,29H2,(H2,30,32)(H,31,33)",BAVAARMTSOWAMX-UHFFFAOYSA-N,C28H57N3O14,Not Found,659.771,-3.62340751,3,15,39,0,CDA-36: 5'-[ACTTGATGCCGGGAGGGCGGGTGGGTAGCATCAAGT]-3',Will be updated soon.,23734784,,,,,,"Imaizumi Y, Kasahara Y, Fujita H, Kitadume S, Ozaki H, Endoh T, Kuwahara M, Sugimoto N. Efficacy of base-modification on target binding of small molecule DNA aptamers. J Am Chem Soc. 2013 Jun 26;135(25):9412-9. doi: 10.1021/ja4012222. Epub 2013 Jun 18. PMID: 23734784.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23734784/,,,,,,Not Found,No,No,,,,
DBoRL2157,CPT1,"N-(35-amino-3,6,9,12,15,18,21,24,27,30,33-undecaoxapentatriacontan-1-yl)-2-(carbamoylmethoxy)acetamide",[H]NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN,"InChI=1S/C28H57N3O14/c29-1-3-34-5-7-36-9-11-38-13-15-40-17-19-42-21-23-44-24-22-43-20-18-41-16-14-39-12-10-37-8-6-35-4-2-31-28(33)26-45-25-27(30)32/h1-26,29H2,(H2,30,32)(H,31,33)",BAVAARMTSOWAMX-UHFFFAOYSA-N,C28H57N3O14,Not Found,659.771,-3.62340751,3,15,39,0,CMA-59,Will be updated soon.,23734784,,,,,,"Imaizumi Y, Kasahara Y, Fujita H, Kitadume S, Ozaki H, Endoh T, Kuwahara M, Sugimoto N. Efficacy of base-modification on target binding of small molecule DNA aptamers. J Am Chem Soc. 2013 Jun 26;135(25):9412-9. doi: 10.1021/ja4012222. Epub 2013 Jun 18. PMID: 23734784.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23734784/,,,,,,Not Found,No,No,,,,
DBoRL2158,CPT1,"N-(35-amino-3,6,9,12,15,18,21,24,27,30,33-undecaoxapentatriacontan-1-yl)-2-(carbamoylmethoxy)acetamide",[H]NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN,"InChI=1S/C28H57N3O14/c29-1-3-34-5-7-36-9-11-38-13-15-40-17-19-42-21-23-44-24-22-43-20-18-41-16-14-39-12-10-37-8-6-35-4-2-31-28(33)26-45-25-27(30)32/h1-26,29H2,(H2,30,32)(H,31,33)",BAVAARMTSOWAMX-UHFFFAOYSA-N,C28H57N3O14,Not Found,659.771,-3.62340751,3,15,39,0,CMA-53,Will be updated soon.,23734784,,,,,,"Imaizumi Y, Kasahara Y, Fujita H, Kitadume S, Ozaki H, Endoh T, Kuwahara M, Sugimoto N. Efficacy of base-modification on target binding of small molecule DNA aptamers. J Am Chem Soc. 2013 Jun 26;135(25):9412-9. doi: 10.1021/ja4012222. Epub 2013 Jun 18. PMID: 23734784.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23734784/,,,,,,Not Found,No,No,,,,
DBoRL2159,ATP ,"({[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid",NC1=NC=NC2=C1N=CN2C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O,"InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)",ZKHQWZAMYRWXGA-UHFFFAOYNA-N,C10H16N5O13P3,Not Found,507.181,-5.425345074,7,14,8,3,ATP aptamer (ATPapt): 5'-[GGCGCCGCGGCCTTTTGGCCGCGGCGCC-(dT)50-CCTGGGGGAGTATTGCGGAGGAAGG-(dT)30]-3',Will be updated soon.,24010663,,,,,,"Arnaut V, Langecker M, Simmel FC. Nanopore force spectroscopy of aptamer-ligand complexes. Biophys J. 2013 Sep 3;105(5):1199-207. doi: 10.1016/j.bpj.2013.07.047. PMID: 24010663; PMCID: PMC3762367.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24010663/,,,,,,238,Yes,No,Investigational Nutraceutical,DB00171,https://go.drugbank.com/drugs/DB00171,
DBoRL2160,ATP,"({[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid",NC1=NC=NC2=C1N=CN2C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O,"InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)",ZKHQWZAMYRWXGA-UHFFFAOYNA-N,C10H16N5O13P3,Not Found,507.181,-5.425345074,7,14,8,3,Modified ATP aptamer (ATPapt-mod): 5'-[GGCGCCGCGGCCTTTTGGCCGCGGCGCC-(dT)50-AACCTGGGGGAGTATTGCGGAGGAAGG TT-(dT)28]-3' ,Will be updated soon.,24010663,,,,,,"Arnaut V, Langecker M, Simmel FC. Nanopore force spectroscopy of aptamer-ligand complexes. Biophys J. 2013 Sep 3;105(5):1199-207. doi: 10.1016/j.bpj.2013.07.047. PMID: 24010663; PMCID: PMC3762367.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24010663/,,,,,,238,Yes,No,Investigational Nutraceutical,DB00171,https://go.drugbank.com/drugs/DB00171,
DBoRL2161,Cholesterol,"(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol",[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,"InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",HVYWMOMLDIMFJA-DPAQBDIFSA-N,C27H46O,"57-88-5,129111-15-5,22243-67-0,80356-14-5",386.664,7.112889031,1,1,5,4,nucleolin aptamer: 5'-[GGTGGTGGTGGTTGTGGTGGTGGTGGT(T)11]-3',Will be updated soon.,25699094,,,,,,"Wu X, Chen J, Wu M, Zhao JX. Aptamers: active targeting ligands for cancer diagnosis and therapy. Theranostics. 2015 Jan 20;5(4):322-44. doi: 10.7150/thno.10257. PMID: 25699094; PMCID: PMC4329498.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25699094/,,,,,,5997,Yes,Yes,Investigational,DB04540,https://go.drugbank.com/drugs/DB04540,
DBoRL2162,Chlorin e6 (Ce6),"(2Z,6Z,11Z,17Z,19S,20S)-20-(2-carboxyethyl)-2-(carboxymethyl)-14-ethenyl-9-ethyl-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1?,?.1?,??.1??,??]tetracosa-2,4,6,8(23),9,11,13,15,17-nonaene-4-carboxylic acid",[H][C@@]1(C)\C2=C\C3=C(C)C(C=C)=C(N3)\C=C3/N=C(/C=C4\N\C(\C(C(O)=O)=C4C)=C(CC(O)=O)/C(N2)[C@@]1([H])CCC(O)=O)C(CC)=C3C,"InChI=1S/C34H38N4O6/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23/h7,12-14,17,21,32,35,37-38H,1,8-11H2,2-6H3,(H,39,40)(H,41,42)(H,43,44)/b24-13-,25-12-,26-14-,33-22-/t17-,21-,32?/m0/s1",DMAPWWDKTKAFRJ-OOCDNWIQSA-N,C34H38N4O6,Not Found,598.7,-1.721178531,6,9,8,5,aptamer TD05: 5'-[SH-CTA ACC GTT TTT TTT TTT TTT TTT TTT TTT TTT TTT TTT TAT CTA ACT GCT GCG CCG CCG GGA AAA TAC TGT ACG GTT AGA]-3',Will be updated soon.,25699094,,,,,,"Wu X, Chen J, Wu M, Zhao JX. Aptamers: active targeting ligands for cancer diagnosis and therapy. Theranostics. 2015 Jan 20;5(4):322-44. doi: 10.7150/thno.10257. PMID: 25699094; PMCID: PMC4329498.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25699094/,,,,,,Not Found,No,No,,,,
DBoRL2163,Ochratoxin A (OTA),"(2S)-2-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]formamido}-3-phenylpropanoic acid",C[C@@H]1CC2=C(Cl)C=C(C(=O)N[C@@H](CC3=CC=CC=C3)C(O)=O)C(O)=C2C(=O)O1,"InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1",RWQKHEORZBHNRI-BMIGLBTASA-N,C20H18ClNO6,303-47-9,403.82,4.611055944,3,5,5,3,5'-[GATCGGGTGTGGGTGGCGTAAAGGAGCATCGG]-3',Will be updated soon.,24863531,,,,,,"Moty?ka J, Mach P, Melicher??k M, Urban J. DFT and MD study of the divalent-cation-mediated interaction of ochratoxin A with DNA nucleosides. J Mol Model. 2014 Jun;20(6):2274. doi: 10.1007/s00894-014-2274-9. Epub 2014 May 27. PMID: 24863531.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24863531/,,,,,,442530,No,No,,,,
DBoRL2164,Cocaine,methyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate,COC(=O)C1C2CCC(CC1OC(=O)C1=CC=CC=C1)N2C,"InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3",ZPUCINDJVBIVPJ-UHFFFAOYNA-N,C17H21NO4,Not Found,303.358,2.282108009,0,3,5,3,cocaine binding aptamer (CBA; 43-mer) : 5'-[TCTCGGGACGACAGGATTTTCCTCAATGAAGTGGGTCGTCCC]-3',Will be updated soon.,25390494,,,,,,"Hamidi-Asl E, Daems D, De Wael K, Van Camp G, Nagels LJ. Concentration-related response potentiometric titrations to study the interaction of small molecules with large biomolecules. Anal Chem. 2014 Dec 16;86(24):12243-9. doi: 10.1021/ac503385x. Epub 2014 Nov 25. PMID: 25390494.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25390494/,,,,,,2826,Yes,Yes,Illicit,DB00907,https://go.drugbank.com/drugs/DB00907,
DBoRL2165,Cocaine,methyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate,COC(=O)C1C2CCC(CC1OC(=O)C1=CC=CC=C1)N2C,"InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3",ZPUCINDJVBIVPJ-UHFFFAOYNA-N,C17H21NO4,Not Found,303.358,2.282108009,0,3,5,3,43-mer-RP( random primers): 5'-[NNNNNNNNNNNNNNNNNNNNNNNNNNNNNNN???N]-3',Will be updated soon.,25390494,,,,,,"Hamidi-Asl E, Daems D, De Wael K, Van Camp G, Nagels LJ. Concentration-related response potentiometric titrations to study the interaction of small molecules with large biomolecules. Anal Chem. 2014 Dec 16;86(24):12243-9. doi: 10.1021/ac503385x. Epub 2014 Nov 25. PMID: 25390494.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25390494/,,,,,,2826,Yes,Yes,Illicit,DB00907,https://go.drugbank.com/drugs/DB00907,
DBoRL2166,Cocaine,methyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate,COC(=O)C1C2CCC(CC1OC(=O)C1=CC=CC=C1)N2C,"InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3",ZPUCINDJVBIVPJ-UHFFFAOYNA-N,C17H21NO4,Not Found,303.358,2.282108009,0,3,5,3,CAP-APT chloramphenicol binding aptamer (CAPBA) 80-mer): 5'-[AGCAGCACAGAGGTCAGATGACTTCAGTGAGTTGTCCCACGGTCGGCGAGTCGGTGGTAGCCTATGCGTGCTACCGTGAA]-3',Will be updated soon.,25390494,,,,,,"Hamidi-Asl E, Daems D, De Wael K, Van Camp G, Nagels LJ. Concentration-related response potentiometric titrations to study the interaction of small molecules with large biomolecules. Anal Chem. 2014 Dec 16;86(24):12243-9. doi: 10.1021/ac503385x. Epub 2014 Nov 25. PMID: 25390494.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25390494/,,,,,,2826,Yes,Yes,Illicit,DB00907,https://go.drugbank.com/drugs/DB00907,
DBoRL2167,Cocaine,methyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate,COC(=O)C1C2CCC(CC1OC(=O)C1=CC=CC=C1)N2C,"InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3",ZPUCINDJVBIVPJ-UHFFFAOYNA-N,C17H21NO4,Not Found,303.358,2.282108009,0,3,5,3,cocaine binding aptamer (CBA; 43-mer): 5' (-TCTCGGGACGACAGGATTTTCCTCAATGAAGTGGGTCGTCCC]-3',Will be updated soon.,25390494,,,,,,"Hamidi-Asl E, Daems D, De Wael K, Van Camp G, Nagels LJ. Concentration-related response potentiometric titrations to study the interaction of small molecules with large biomolecules. Anal Chem. 2014 Dec 16;86(24):12243-9. doi: 10.1021/ac503385x. Epub 2014 Nov 25. PMID: 25390494.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25390494/,,,,,,2826,Yes,Yes,Illicit,DB00907,https://go.drugbank.com/drugs/DB00907,
DBoRL2168,lidocaine,"2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide",CCN(CC)CC(=O)NC1=C(C)C=CC=C1C,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)",NNJVILVZKWQKPM-UHFFFAOYSA-N,C14H22N2O,"137-58-6,91484-71-8",234.343,2.84291336,1,2,5,1,cocaine binding aptamer (CBA; 43-mer): 5'-[TCTCGGGACGACAGGATTTTCCTCAATGAAGTGGGTCGTCCC]-3',Will be updated soon.,25390494,,,,,,"Hamidi-Asl E, Daems D, De Wael K, Van Camp G, Nagels LJ. Concentration-related response potentiometric titrations to study the interaction of small molecules with large biomolecules. Anal Chem. 2014 Dec 16;86(24):12243-9. doi: 10.1021/ac503385x. Epub 2014 Nov 25. PMID: 25390494.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25390494/,,,,,,3676,Yes,Yes,Vet_approved,DB00281,https://go.drugbank.com/drugs/DB00281,
DBoRL2169,Metergoline,"benzyl N-{[(2R,4S,7R)-6,11-dimethyl-6,11-diazatetracyclo[7.6.1.0?,?.0??,??]hexadeca-1(15),12(16),13-trien-4-yl]methyl}carbamate",[H][C@@]12CC3CN(C)C4=C3C(=CC=C4)[C@@]1([H])C[C@@H](CNC(=O)OCC1=CC=CC=C1)CN2C,"InChI=1S/C25H31N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,18-19,21,23H,11-16H2,1-2H3,(H,26,29)/t18-,19?,21+,23+/m0/s1",DZYDYPRNQVSQPA-WYCDNMIMSA-N,C25H31N3O2,Not Found,405.542,3.664031771,1,3,5,5,cocaine binding aptamer (CBA; 43-mer): 5'-[TCTCGGGACGACAGGATTTTCCTCAATGAAGTGGGTCGTCCC]-3',Will be updated soon.,25390494,,,,,,"Hamidi-Asl E, Daems D, De Wael K, Van Camp G, Nagels LJ. Concentration-related response potentiometric titrations to study the interaction of small molecules with large biomolecules. Anal Chem. 2014 Dec 16;86(24):12243-9. doi: 10.1021/ac503385x. Epub 2014 Nov 25. PMID: 25390494.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25390494/,,,,,,Not Found,No,No,,,,
DBoRL2170,Bromhexine,"N-[(3,5-dibromo-2-methylphenyl)methyl]-N-methylcyclohexanamine",CN(CC1=CC(Br)=CC(Br)=C1C)C1CCCCC1,"InChI=1S/C15H21Br2N/c1-11-12(8-13(16)9-15(11)17)10-18(2)14-6-4-3-5-7-14/h8-9,14H,3-7,10H2,1-2H3",QKUODLVAOSJQKX-UHFFFAOYSA-N,C15H21Br2N,Not Found,375.148,5.764839755,0,1,3,2,cocaine binding aptamer (CBA; 43-mer): 5'-[TCTCGGGACGACAGGATTTTCCTCAATGAAGTGGGTCGTCCC]-3',Will be updated soon.,25390494,,,,,,"Hamidi-Asl E, Daems D, De Wael K, Van Camp G, Nagels LJ. Concentration-related response potentiometric titrations to study the interaction of small molecules with large biomolecules. Anal Chem. 2014 Dec 16;86(24):12243-9. doi: 10.1021/ac503385x. Epub 2014 Nov 25. PMID: 25390494.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25390494/,,,,,,Not Found,Yes,Yes,,DB09019,https://go.drugbank.com/drugs/DB09019,This is the isomeric form of the drug approved by USFDA.
DBoRL2171,T-2 toxin,"(2S,2'R,4'S,9'R,10'R,11'S)-11'-(acetyloxy)-2'-[(acetyloxy)methyl]-10'-hydroxy-5'-methyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0?,?]dodecan]-5'-en-4'-yl 3-methylbutanoate",[H][C@@]12OC3([H])C=C(C)[C@H](C[C@]3(COC(C)=O)C([C@H](OC(C)=O)[C@H]1O)[C@]21CO1)OC(=O)CC(C)C,"InChI=1S/C23H32O9/c1-11(2)6-17(26)31-15-8-22(9-28-13(4)24)16(7-12(15)3)32-21-18(27)19(30-14(5)25)20(22)23(21)10-29-23/h7,11,15-16,18-21,27H,6,8-10H2,1-5H3/t15-,16?,18+,19+,20?,21+,22+,23+/m0/s1",GEYPBFIKWZOXKR-NBMBWYQVSA-N,C23H32O9,Not Found,452.5,0.527085974,1,6,9,4,Seq.2 ,Will be updated soon.,25265190,,,,,,"Chen X, Huang Y, Duan N, Wu S, Xia Y, Ma X, Zhu C, Jiang Y, Wang Z. Screening and identification of DNA aptamers against T-2 toxin assisted by graphene oxide. J Agric Food Chem. 2014 Oct 22;62(42):10368-74. doi: 10.1021/jf5032058. Epub 2014 Oct 7. PMID: 25265190.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25265190/,,,,,,Not Found,No,No,,,,
DBoRL2172,T-2 toxin,"(2S,2'R,4'S,9'R,10'R,11'S)-11'-(acetyloxy)-2'-[(acetyloxy)methyl]-10'-hydroxy-5'-methyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0?,?]dodecan]-5'-en-4'-yl 3-methylbutanoate",[H][C@@]12OC3([H])C=C(C)[C@H](C[C@]3(COC(C)=O)C([C@H](OC(C)=O)[C@H]1O)[C@]21CO1)OC(=O)CC(C)C,"InChI=1S/C23H32O9/c1-11(2)6-17(26)31-15-8-22(9-28-13(4)24)16(7-12(15)3)32-21-18(27)19(30-14(5)25)20(22)23(21)10-29-23/h7,11,15-16,18-21,27H,6,8-10H2,1-5H3/t15-,16?,18+,19+,20?,21+,22+,23+/m0/s1",GEYPBFIKWZOXKR-NBMBWYQVSA-N,C23H32O9,Not Found,452.5,0.527085974,1,6,9,4,Seq.6 ,Will be updated soon.,25265190,,,,,,"Chen X, Huang Y, Duan N, Wu S, Xia Y, Ma X, Zhu C, Jiang Y, Wang Z. Screening and identification of DNA aptamers against T-2 toxin assisted by graphene oxide. J Agric Food Chem. 2014 Oct 22;62(42):10368-74. doi: 10.1021/jf5032058. Epub 2014 Oct 7. PMID: 25265190.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25265190/,,,,,,Not Found,No,No,,,,
DBoRL2173,T-2 toxin,"(2S,2'R,4'S,9'R,10'R,11'S)-11'-(acetyloxy)-2'-[(acetyloxy)methyl]-10'-hydroxy-5'-methyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0?,?]dodecan]-5'-en-4'-yl 3-methylbutanoate",[H][C@@]12OC3([H])C=C(C)[C@H](C[C@]3(COC(C)=O)C([C@H](OC(C)=O)[C@H]1O)[C@]21CO1)OC(=O)CC(C)C,"InChI=1S/C23H32O9/c1-11(2)6-17(26)31-15-8-22(9-28-13(4)24)16(7-12(15)3)32-21-18(27)19(30-14(5)25)20(22)23(21)10-29-23/h7,11,15-16,18-21,27H,6,8-10H2,1-5H3/t15-,16?,18+,19+,20?,21+,22+,23+/m0/s1",GEYPBFIKWZOXKR-NBMBWYQVSA-N,C23H32O9,Not Found,452.5,0.527085974,1,6,9,4,Seq.16 ,Will be updated soon.,25265190,,,,,,"Chen X, Huang Y, Duan N, Wu S, Xia Y, Ma X, Zhu C, Jiang Y, Wang Z. Screening and identification of DNA aptamers against T-2 toxin assisted by graphene oxide. J Agric Food Chem. 2014 Oct 22;62(42):10368-74. doi: 10.1021/jf5032058. Epub 2014 Oct 7. PMID: 25265190.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25265190/,,,,,,Not Found,No,No,,,,
DBoRL2174,T-2 toxin,"(2S,2'R,4'S,9'R,10'R,11'S)-11'-(acetyloxy)-2'-[(acetyloxy)methyl]-10'-hydroxy-5'-methyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0?,?]dodecan]-5'-en-4'-yl 3-methylbutanoate",[H][C@@]12OC3([H])C=C(C)[C@H](C[C@]3(COC(C)=O)C([C@H](OC(C)=O)[C@H]1O)[C@]21CO1)OC(=O)CC(C)C,"InChI=1S/C23H32O9/c1-11(2)6-17(26)31-15-8-22(9-28-13(4)24)16(7-12(15)3)32-21-18(27)19(30-14(5)25)20(22)23(21)10-29-23/h7,11,15-16,18-21,27H,6,8-10H2,1-5H3/t15-,16?,18+,19+,20?,21+,22+,23+/m0/s1",GEYPBFIKWZOXKR-NBMBWYQVSA-N,C23H32O9,Not Found,452.5,0.527085974,1,6,9,4,Tc.6  ,Will be updated soon.,25265190,,,,,,"Chen X, Huang Y, Duan N, Wu S, Xia Y, Ma X, Zhu C, Jiang Y, Wang Z. Screening and identification of DNA aptamers against T-2 toxin assisted by graphene oxide. J Agric Food Chem. 2014 Oct 22;62(42):10368-74. doi: 10.1021/jf5032058. Epub 2014 Oct 7. PMID: 25265190.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25265190/,,,,,,Not Found,No,No,,,,
DBoRL2175,TMPyP4,"1-methyl-4-[7,12,17-tris(1-methylpyridin-1-ium-4-yl)-21,22,23,24-tetraazapentacyclo[16.2.1.1?,?.1?,??.1??,??]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]pyridin-1-ium",C[N+]1=CC=C(C=C1)C1=C2\C=CC(=N2)\C(=C2/N\C(\C=C2)=C(/C2=N/C(/C=C2)=C(\C2=CC=C\1N2)C1=CC=[N+](C)C=C1)C1=CC=[N+](C)C=C1)\C1=CC=[N+](C)C=C1,"InChI=1S/C44H37N8/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31/h5-28H,1-4H3,(H,45,46,47,48)/q+3/p+1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-",ABCGFHPGHXSVKI-LWQDQPMZSA-O,C44H38N8,Not Found,678.842,-9.423182477,2,2,4,9,AS1411 aptamer ,Will be updated soon.,20166743,,,,,,"Shieh YA, Yang SJ, Wei MF, Shieh MJ. Aptamer-based tumor-targeted drug delivery for photodynamic therapy. ACS Nano. 2010 Mar 23;4(3):1433-42. doi: 10.1021/nn901374b. PMID: 20166743.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20166743/,,,,,,4234,No,No,,,,
DBoRL2176,Kanamycin,"2-(aminomethyl)-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2",SBUJHOSQTJFQJX-UHFFFAOYNA-N,C18H36N4O11,Not Found,484.503,-7.060913449,11,15,6,3,kanamycin aptamer: 5'-[NH2-AGATGGGGGTTGAGGCTAAGCCGA]-3',Will be updated soon.,24373954,,,,,,"Li H, Sun DE, Liu Y, Liu Z. An ultrasensitive homogeneous aptasensor for kanamycin based on upconversion fluorescence resonance energy transfer. Biosens Bioelectron. 2014 May 15;55:149-56. doi: 10.1016/j.bios.2013.11.079. Epub 2013 Dec 10. PMID: 24373954.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24373954/,,,,,,815,Yes,Yes,Investigational Vet_approved,DB01172,https://go.drugbank.com/drugs/DB01172,
DBoRL2177,Quinine,5-ethenyl-2-[(R)-hydroxy(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-1-ium,[H][C@](O)(C1CC2CC[N+]1([H])CC2C=C)C1=CC=NC2=CC=C(OC)C=C12,"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/p+1/t13?,14?,19?,20-/m1/s1",LOUPRKONTZGTKE-WGFDLZGGSA-O,C20H25N2O2,Not Found,325.431,2.513463951,2,3,4,4,MN4,Will be updated soon.,24175947,,,,,,"Reinstein O, Yoo M, Han C, Palmo T, Beckham SA, Wilce MC, Johnson PE. Quinine binding by the cocaine-binding aptamer. Thermodynamic and hydrodynamic analysis of high-affinity binding of an off-target ligand. Biochemistry. 2013 Dec 3;52(48):8652-62. doi: 10.1021/bi4010039. Epub 2013 Nov 14. PMID: 24175947.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24175947/,,,,,,134845380,Yes,Yes,,DB00468,https://go.drugbank.com/drugs/DB00468,This is the isomeric form of the drug approved by USFDA.
DBoRL2178,Quinine ,5-ethenyl-2-[(R)-hydroxy(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-1-ium,[H][C@](O)(C1CC2CC[N+]1([H])CC2C=C)C1=CC=NC2=CC=C(OC)C=C12,"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/p+1/t13?,14?,19?,20-/m1/s1",LOUPRKONTZGTKE-WGFDLZGGSA-O,C20H25N2O2,Not Found,325.431,2.513463951,2,3,4,4,MN19,Will be updated soon.,24175947,,,,,,"Reinstein O, Yoo M, Han C, Palmo T, Beckham SA, Wilce MC, Johnson PE. Quinine binding by the cocaine-binding aptamer. Thermodynamic and hydrodynamic analysis of high-affinity binding of an off-target ligand. Biochemistry. 2013 Dec 3;52(48):8652-62. doi: 10.1021/bi4010039. Epub 2013 Nov 14. PMID: 24175947.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24175947/,,,,,,134845380,Yes,Yes,,DB00468,https://go.drugbank.com/drugs/DB00468,This is the isomeric form of the drug approved by USFDA.
DBoRL2179,Quinine ,5-ethenyl-2-[(R)-hydroxy(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-1-ium,[H][C@](O)(C1CC2CC[N+]1([H])CC2C=C)C1=CC=NC2=CC=C(OC)C=C12,"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/p+1/t13?,14?,19?,20-/m1/s1",LOUPRKONTZGTKE-WGFDLZGGSA-O,C20H25N2O2,Not Found,325.431,2.513463951,2,3,4,4,WC,Will be updated soon.,24175947,,,,,,"Reinstein O, Yoo M, Han C, Palmo T, Beckham SA, Wilce MC, Johnson PE. Quinine binding by the cocaine-binding aptamer. Thermodynamic and hydrodynamic analysis of high-affinity binding of an off-target ligand. Biochemistry. 2013 Dec 3;52(48):8652-62. doi: 10.1021/bi4010039. Epub 2013 Nov 14. PMID: 24175947.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24175947/,,,,,,134845380,Yes,Yes,,DB00468,https://go.drugbank.com/drugs/DB00468,This is the isomeric form of the drug approved by USFDA.
DBoRL2180,Quinine ,5-ethenyl-2-[(R)-hydroxy(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-1-ium,[H][C@](O)(C1CC2CC[N+]1([H])CC2C=C)C1=CC=NC2=CC=C(OC)C=C12,"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/p+1/t13?,14?,19?,20-/m1/s1",LOUPRKONTZGTKE-WGFDLZGGSA-O,C20H25N2O2,Not Found,325.431,2.513463951,2,3,4,4,MN16,Will be updated soon.,24175947,,,,,,"Reinstein O, Yoo M, Han C, Palmo T, Beckham SA, Wilce MC, Johnson PE. Quinine binding by the cocaine-binding aptamer. Thermodynamic and hydrodynamic analysis of high-affinity binding of an off-target ligand. Biochemistry. 2013 Dec 3;52(48):8652-62. doi: 10.1021/bi4010039. Epub 2013 Nov 14. PMID: 24175947.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24175947/,,,,,,134845380,Yes,Yes,,DB00468,https://go.drugbank.com/drugs/DB00468,This is the isomeric form of the drug approved by USFDA.
DBoRL2181,Cocaine,3-(benzoyloxy)-2-(methoxycarbonyl)-8-methyl-8-azabicyclo[3.2.1]octan-8-ium,[H][N+]1(C)C2CCC1C(C(C2)OC(=O)C1=CC=CC=C1)C(=O)OC,"InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/p+1",ZPUCINDJVBIVPJ-UHFFFAOYNA-O,C17H22NO4,Not Found,304.365,2.282108009,1,2,5,3,MN4,Will be updated soon.,24175947,,,,,,"Reinstein O, Yoo M, Han C, Palmo T, Beckham SA, Wilce MC, Johnson PE. Quinine binding by the cocaine-binding aptamer. Thermodynamic and hydrodynamic analysis of high-affinity binding of an off-target ligand. Biochemistry. 2013 Dec 3;52(48):8652-62. doi: 10.1021/bi4010039. Epub 2013 Nov 14. PMID: 24175947.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24175947/,,,,,,3518588,Yes,Yes,Illicit,DB00907,https://go.drugbank.com/drugs/DB00907,
DBoRL2182,Cocaine,3-(benzoyloxy)-2-(methoxycarbonyl)-8-methyl-8-azabicyclo[3.2.1]octan-8-ium,[H][N+]1(C)C2CCC1C(C(C2)OC(=O)C1=CC=CC=C1)C(=O)OC,"InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/p+1",ZPUCINDJVBIVPJ-UHFFFAOYNA-O,C17H22NO4,Not Found,304.365,2.282108009,1,2,5,3,MN19,Will be updated soon.,24175947,,,,,,"Reinstein O, Yoo M, Han C, Palmo T, Beckham SA, Wilce MC, Johnson PE. Quinine binding by the cocaine-binding aptamer. Thermodynamic and hydrodynamic analysis of high-affinity binding of an off-target ligand. Biochemistry. 2013 Dec 3;52(48):8652-62. doi: 10.1021/bi4010039. Epub 2013 Nov 14. PMID: 24175947.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24175947/,,,,,,3518588,Yes,Yes,Illicit,DB00907,https://go.drugbank.com/drugs/DB00907,
DBoRL2183,Cocaine,3-(benzoyloxy)-2-(methoxycarbonyl)-8-methyl-8-azabicyclo[3.2.1]octan-8-ium,[H][N+]1(C)C2CCC1C(C(C2)OC(=O)C1=CC=CC=C1)C(=O)OC,"InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/p+1",ZPUCINDJVBIVPJ-UHFFFAOYNA-O,C17H22NO4,Not Found,304.365,2.282108009,1,2,5,3,WC,Will be updated soon.,24175947,,,,,,"Reinstein O, Yoo M, Han C, Palmo T, Beckham SA, Wilce MC, Johnson PE. Quinine binding by the cocaine-binding aptamer. Thermodynamic and hydrodynamic analysis of high-affinity binding of an off-target ligand. Biochemistry. 2013 Dec 3;52(48):8652-62. doi: 10.1021/bi4010039. Epub 2013 Nov 14. PMID: 24175947.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24175947/,,,,,,3518588,Yes,Yes,Illicit,DB00907,https://go.drugbank.com/drugs/DB00907,
DBoRL2184,Cocaine,3-(benzoyloxy)-2-(methoxycarbonyl)-8-methyl-8-azabicyclo[3.2.1]octan-8-ium,[H][N+]1(C)C2CCC1C(C(C2)OC(=O)C1=CC=CC=C1)C(=O)OC,"InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/p+1",ZPUCINDJVBIVPJ-UHFFFAOYNA-O,C17H22NO4,Not Found,304.365,2.282108009,1,2,5,3,MN16,Will be updated soon.,24175947,,,,,,"Reinstein O, Yoo M, Han C, Palmo T, Beckham SA, Wilce MC, Johnson PE. Quinine binding by the cocaine-binding aptamer. Thermodynamic and hydrodynamic analysis of high-affinity binding of an off-target ligand. Biochemistry. 2013 Dec 3;52(48):8652-62. doi: 10.1021/bi4010039. Epub 2013 Nov 14. PMID: 24175947.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24175947/,,,,,,3518588,Yes,Yes,Illicit,DB00907,https://go.drugbank.com/drugs/DB00907,
DBoRL2185,Okadaic acid (OA),"3-[(2S,5R,6S,8R)-8-[(2E)-3-[(2S,5'R,8R,8aR)-8-hydroxy-6-[(1S,3S)-1-hydroxy-3-[(3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-7-methylidene-octahydrospiro[1-benzopyran-2,2'-oxolan]-5'-yl]-2-methylprop-2-en-1-yl]-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid",[H][C@@]1(CC[C@@]2(CCC3CC([C@@H](O)C[C@H](C)C4O[C@@]5(CCCCO5)CC[C@H]4C)C(=C)[C@@H](O)[C@]3([H])O2)O1)\C=C(/C)C[C@@H]1CC(C)=C[C@]2(O1)O[C@]([H])(CC(C)(O)C(O)=O)CC[C@H]2O,"InChI=1S/C45H70O12/c1-26(20-34-21-27(2)24-45(55-34)37(47)10-9-33(54-45)25-42(6,51)41(49)50)19-32-13-17-44(53-32)16-12-31-23-35(30(5)38(48)40(31)57-44)36(46)22-29(4)39-28(3)11-15-43(56-39)14-7-8-18-52-43/h19,24,28-29,31-40,46-48,51H,5,7-18,20-23,25H2,1-4,6H3,(H,49,50)/b26-19+/t28-,29+,31?,32-,33+,34-,35?,36+,37-,38-,39?,40-,42?,43+,44+,45-/m1/s1",SDCMTFQNARTKQE-GMBNVEPTSA-N,C45H70O12,Not Found,803.043,5.666981871,5,12,10,7,aptamer sequence: 5'-[GGCGGACCAAGGGGACACCACAGATGAATGTACAGTACCATGTTACTGCGCCCGTAGGTG]-3',Will be updated soon.,24164310,,,,,,"Eissa S, Ng A, Siaj M, Tavares AC, Zourob M. Selection and identification of DNA aptamers against okadaic acid for biosensing application. Anal Chem. 2013 Dec 17;85(24):11794-801. doi: 10.1021/ac402220k. Epub 2013 Nov 21. PMID: 24164310.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24164310/,,,,,,Not Found,No,No,,,,
DBoRL2186,Okadaic acid (OA),"3-[(2S,5R,6S,8R)-8-[(2E)-3-[(2S,5'R,8R,8aR)-8-hydroxy-6-[(1S,3S)-1-hydroxy-3-[(3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-7-methylidene-octahydrospiro[1-benzopyran-2,2'-oxolan]-5'-yl]-2-methylprop-2-en-1-yl]-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid",[H][C@@]1(CC[C@@]2(CCC3CC([C@@H](O)C[C@H](C)C4O[C@@]5(CCCCO5)CC[C@H]4C)C(=C)[C@@H](O)[C@]3([H])O2)O1)\C=C(/C)C[C@@H]1CC(C)=C[C@]2(O1)O[C@]([H])(CC(C)(O)C(O)=O)CC[C@H]2O,"InChI=1S/C45H70O12/c1-26(20-34-21-27(2)24-45(55-34)37(47)10-9-33(54-45)25-42(6,51)41(49)50)19-32-13-17-44(53-32)16-12-31-23-35(30(5)38(48)40(31)57-44)36(46)22-29(4)39-28(3)11-15-43(56-39)14-7-8-18-52-43/h19,24,28-29,31-40,46-48,51H,5,7-18,20-23,25H2,1-4,6H3,(H,49,50)/b26-19+/t28-,29+,31?,32-,33+,34-,35?,36+,37-,38-,39?,40-,42?,43+,44+,45-/m1/s1",SDCMTFQNARTKQE-GMBNVEPTSA-N,C45H70O12,Not Found,803.043,5.666981871,5,12,10,7,aptamer sequence: 5'-[GGGGCAACAAACACGGAAGAAAATGAATCTACATACGTGGACATATATCCTGCCGCGTG]-3',Will be updated soon.,24164310,,,,,,"Eissa S, Ng A, Siaj M, Tavares AC, Zourob M. Selection and identification of DNA aptamers against okadaic acid for biosensing application. Anal Chem. 2013 Dec 17;85(24):11794-801. doi: 10.1021/ac402220k. Epub 2013 Nov 21. PMID: 24164310.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24164310/,,,,,,Not Found,No,No,,,,
DBoRL2187,Okadaic acid (OA),"3-[(2S,5R,6S,8R)-8-[(2E)-3-[(2S,5'R,8R,8aR)-8-hydroxy-6-[(1S,3S)-1-hydroxy-3-[(3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-7-methylidene-octahydrospiro[1-benzopyran-2,2'-oxolan]-5'-yl]-2-methylprop-2-en-1-yl]-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid",[H][C@@]1(CC[C@@]2(CCC3CC([C@@H](O)C[C@H](C)C4O[C@@]5(CCCCO5)CC[C@H]4C)C(=C)[C@@H](O)[C@]3([H])O2)O1)\C=C(/C)C[C@@H]1CC(C)=C[C@]2(O1)O[C@]([H])(CC(C)(O)C(O)=O)CC[C@H]2O,"InChI=1S/C45H70O12/c1-26(20-34-21-27(2)24-45(55-34)37(47)10-9-33(54-45)25-42(6,51)41(49)50)19-32-13-17-44(53-32)16-12-31-23-35(30(5)38(48)40(31)57-44)36(46)22-29(4)39-28(3)11-15-43(56-39)14-7-8-18-52-43/h19,24,28-29,31-40,46-48,51H,5,7-18,20-23,25H2,1-4,6H3,(H,49,50)/b26-19+/t28-,29+,31?,32-,33+,34-,35?,36+,37-,38-,39?,40-,42?,43+,44+,45-/m1/s1",SDCMTFQNARTKQE-GMBNVEPTSA-N,C45H70O12,Not Found,803.043,5.666981871,5,12,10,7,aptamer sequence: 5'-[GGTCACCAACAACAGGGAGCGCTACGCGAAGGGTCAATGTGACGTCATGCGGATGTGTGG]-3',Will be updated soon.,24164310,,,,,,"Eissa S, Ng A, Siaj M, Tavares AC, Zourob M. Selection and identification of DNA aptamers against okadaic acid for biosensing application. Anal Chem. 2013 Dec 17;85(24):11794-801. doi: 10.1021/ac402220k. Epub 2013 Nov 21. PMID: 24164310.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24164310/,,,,,,Not Found,No,No,,,,
DBoRL2188,Okadaic acid (OA),"3-[(2S,5R,6S,8R)-8-[(2E)-3-[(2S,5'R,8R,8aR)-8-hydroxy-6-[(1S,3S)-1-hydroxy-3-[(3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-7-methylidene-octahydrospiro[1-benzopyran-2,2'-oxolan]-5'-yl]-2-methylprop-2-en-1-yl]-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid",[H][C@@]1(CC[C@@]2(CCC3CC([C@@H](O)C[C@H](C)C4O[C@@]5(CCCCO5)CC[C@H]4C)C(=C)[C@@H](O)[C@]3([H])O2)O1)\C=C(/C)C[C@@H]1CC(C)=C[C@]2(O1)O[C@]([H])(CC(C)(O)C(O)=O)CC[C@H]2O,"InChI=1S/C45H70O12/c1-26(20-34-21-27(2)24-45(55-34)37(47)10-9-33(54-45)25-42(6,51)41(49)50)19-32-13-17-44(53-32)16-12-31-23-35(30(5)38(48)40(31)57-44)36(46)22-29(4)39-28(3)11-15-43(56-39)14-7-8-18-52-43/h19,24,28-29,31-40,46-48,51H,5,7-18,20-23,25H2,1-4,6H3,(H,49,50)/b26-19+/t28-,29+,31?,32-,33+,34-,35?,36+,37-,38-,39?,40-,42?,43+,44+,45-/m1/s1",SDCMTFQNARTKQE-GMBNVEPTSA-N,C45H70O12,Not Found,803.043,5.666981871,5,12,10,7,aptamer sequence: 5'-[GGGACAGCGGAGGTCTCCCACCCACCGGCCCCTGCGGCACACCAACCTGTATGGATGCG]-3',Will be updated soon.,24164310,,,,,,"Eissa S, Ng A, Siaj M, Tavares AC, Zourob M. Selection and identification of DNA aptamers against okadaic acid for biosensing application. Anal Chem. 2013 Dec 17;85(24):11794-801. doi: 10.1021/ac402220k. Epub 2013 Nov 21. PMID: 24164310.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24164310/,,,,,,Not Found,No,No,,,,
DBoRL2189,Okadaic acid (OA),"3-[(2S,5R,6S,8R)-8-[(2E)-3-[(2S,5'R,8R,8aR)-8-hydroxy-6-[(1S,3S)-1-hydroxy-3-[(3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-7-methylidene-octahydrospiro[1-benzopyran-2,2'-oxolan]-5'-yl]-2-methylprop-2-en-1-yl]-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid",[H][C@@]1(CC[C@@]2(CCC3CC([C@@H](O)C[C@H](C)C4O[C@@]5(CCCCO5)CC[C@H]4C)C(=C)[C@@H](O)[C@]3([H])O2)O1)\C=C(/C)C[C@@H]1CC(C)=C[C@]2(O1)O[C@]([H])(CC(C)(O)C(O)=O)CC[C@H]2O,"InChI=1S/C45H70O12/c1-26(20-34-21-27(2)24-45(55-34)37(47)10-9-33(54-45)25-42(6,51)41(49)50)19-32-13-17-44(53-32)16-12-31-23-35(30(5)38(48)40(31)57-44)36(46)22-29(4)39-28(3)11-15-43(56-39)14-7-8-18-52-43/h19,24,28-29,31-40,46-48,51H,5,7-18,20-23,25H2,1-4,6H3,(H,49,50)/b26-19+/t28-,29+,31?,32-,33+,34-,35?,36+,37-,38-,39?,40-,42?,43+,44+,45-/m1/s1",SDCMTFQNARTKQE-GMBNVEPTSA-N,C45H70O12,Not Found,803.043,5.666981871,5,12,10,7,aptamer sequence: 5'-[GCCATGACAACCAGAGGTACCCCCGCCCACCAGCCCCGAAGTCTGTCAGCCTAGTTGTTG]-3',Will be updated soon.,24164310,,,,,,"Eissa S, Ng A, Siaj M, Tavares AC, Zourob M. Selection and identification of DNA aptamers against okadaic acid for biosensing application. Anal Chem. 2013 Dec 17;85(24):11794-801. doi: 10.1021/ac402220k. Epub 2013 Nov 21. PMID: 24164310.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24164310/,,,,,,Not Found,No,No,,,,
DBoRL2190,Okadaic acid (OA),"3-[(2S,5R,6S,8R)-8-[(2E)-3-[(2S,5'R,8R,8aR)-8-hydroxy-6-[(1S,3S)-1-hydroxy-3-[(3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-7-methylidene-octahydrospiro[1-benzopyran-2,2'-oxolan]-5'-yl]-2-methylprop-2-en-1-yl]-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid",[H][C@@]1(CC[C@@]2(CCC3CC([C@@H](O)C[C@H](C)C4O[C@@]5(CCCCO5)CC[C@H]4C)C(=C)[C@@H](O)[C@]3([H])O2)O1)\C=C(/C)C[C@@H]1CC(C)=C[C@]2(O1)O[C@]([H])(CC(C)(O)C(O)=O)CC[C@H]2O,"InChI=1S/C45H70O12/c1-26(20-34-21-27(2)24-45(55-34)37(47)10-9-33(54-45)25-42(6,51)41(49)50)19-32-13-17-44(53-32)16-12-31-23-35(30(5)38(48)40(31)57-44)36(46)22-29(4)39-28(3)11-15-43(56-39)14-7-8-18-52-43/h19,24,28-29,31-40,46-48,51H,5,7-18,20-23,25H2,1-4,6H3,(H,49,50)/b26-19+/t28-,29+,31?,32-,33+,34-,35?,36+,37-,38-,39?,40-,42?,43+,44+,45-/m1/s1",SDCMTFQNARTKQE-GMBNVEPTSA-N,C45H70O12,Not Found,803.043,5.666981871,5,12,10,7,aptamer sequence: 5'-[CCACACAACAGCCTACGTGGATACACCACATACATCCCATAACCCCGTGTCATGTGTCG]-3',Will be updated soon.,24164310,,,,,,"Eissa S, Ng A, Siaj M, Tavares AC, Zourob M. Selection and identification of DNA aptamers against okadaic acid for biosensing application. Anal Chem. 2013 Dec 17;85(24):11794-801. doi: 10.1021/ac402220k. Epub 2013 Nov 21. PMID: 24164310.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24164310/,,,,,,Not Found,No,No,,,,
DBoRL2191,Malachite green (MG),"4-{[4-(dimethylamino)phenyl](phenyl)methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium",CN(C)C1=CC=C(C=C1)C(C1=CC=CC=C1)=C1C=CC(C=C1)=[N+](C)C,"InChI=1S/C23H25N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17H,1-4H3/q+1",VFCNQNZNPKRXIT-UHFFFAOYSA-N,C23H25N2,10309-95-2,329.466,1.28746727,0,1,3,3,malachite green RNA aptamer (MGA),Will be updated soon.,10926496,,,,,,"Baugh C, Grate D, Wilson C. 2.8 A crystal structure of the malachite green aptamer. J Mol Biol. 2000 Aug 4;301(1):117-28. doi: 10.1006/jmbi.2000.3951. PMID: 10926496.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10926496/,,,,,,11295,Yes,No,Experimental,DB03895,https://go.drugbank.com/drugs/DB03895,
DBoRL2192,Crystal violet (CV),"4-{bis[4-(dimethylamino)phenyl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium",CN(C)C1=CC=C(C=C1)C(C1=CC=C(C=C1)N(C)C)=C1C=CC(C=C1)=[N+](C)C,"InChI=1S/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q+1",LGLFFNDHMLKUMI-UHFFFAOYSA-N,C25H30N3,7438-46-2,372.535,1.395511129,0,2,4,3,malachite green RNA aptamer (MGA),Will be updated soon.,10926496,,,,,,"Baugh C, Grate D, Wilson C. 2.8 A crystal structure of the malachite green aptamer. J Mol Biol. 2000 Aug 4;301(1):117-28. doi: 10.1006/jmbi.2000.3951. PMID: 10926496.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10926496/,,,,,,3468,Yes,Yes,,DB00406,https://go.drugbank.com/drugs/DB00406,
DBoRL2193,Tetramethylrosamine (TMR),"6-(dimethylamino)-N,N-dimethyl-9-phenyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=CC=C2)=[N+](C)C)=C1,"InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1",NGSXFKKYKWBNPO-UHFFFAOYSA-N,C23H23N2O,Not Found,343.449,0.486893727,0,2,2,4,1F1T malachite green RNA aptamer (MGA),Will be updated soon.,10926496,,,,,,"Baugh C, Grate D, Wilson C. 2.8 A crystal structure of the malachite green aptamer. J Mol Biol. 2000 Aug 4;301(1):117-28. doi: 10.1006/jmbi.2000.3951. PMID: 10926496.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10926496/,,,,,,2762681,No,No,,,,
DBoRL2194,Pyronin Y (PY),"6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C=C3C=CC(C=C3OC2=C1)=[N+](C)C,"InChI=1S/C17H19N2O/c1-18(2)14-7-5-12-9-13-6-8-15(19(3)4)11-17(13)20-16(12)10-14/h5-11H,1-4H3/q+1",MTENKDNBVMPHAS-UHFFFAOYSA-N,C17H19N2O,17817-77-5,267.351,-0.946304851,0,2,1,3,malachite green RNA aptamer (MGA),Will be updated soon.,10926496,,,,,,"Baugh C, Grate D, Wilson C. 2.8 A crystal structure of the malachite green aptamer. J Mol Biol. 2000 Aug 4;301(1):117-28. doi: 10.1006/jmbi.2000.3951. PMID: 10926496.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10926496/,,,,,,7086,No,No,,,,
DBoRL2195,Codeine,"10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0?,??.0?,??.0?,??]octadeca-7(18),8,10,15-tetraen-14-ol",COC1=C2OC3C(O)C=CC4C5CC(C=C1)=C2C34CCN5C,"InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3",OROGSEYTTFOCAN-UHFFFAOYNA-N,C18H21NO3,Not Found,299.37,1.342951283,1,4,1,5,anti-codeine RNA aptamer,Will be updated soon.,23021809,,,,,,"Kiani Z, Shafiei M, Rahimi-Moghaddam P, Karkhane AA, Ebrahimi SA. In vitro selection and characterization of deoxyribonucleic acid aptamers for digoxin. Anal Chim Acta. 2012 Oct 20;748:67-72. doi: 10.1016/j.aca.2012.08.025. Epub 2012 Sep 5. PMID: 23021809.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23021809/,,,,,,2828,Yes,Yes,Illicit,DB00318,https://go.drugbank.com/drugs/DB00318,
DBoRL2196,Codeine,"10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0?,??.0?,??.0?,??]octadeca-7(18),8,10,15-tetraen-14-ol",COC1=C2OC3C(O)C=CC4C5CC(C=C1)=C2C34CCN5C,"InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3",OROGSEYTTFOCAN-UHFFFAOYNA-N,C18H21NO3,Not Found,299.37,1.342951283,1,4,1,5,FC5(full-length  RNA aptamer),Will be updated soon.,7038331,,,,,,Barrett-Connor E. Drugs for the treatment of parasitic infection. Med Clin North Am. 1982 Jan;66(1):245-55. doi: 10.1016/s0025-7125(16)31457-2. PMID: 7038331.,,,,,,https://pubmed.ncbi.nlm.nih.gov/7038331/,,,,,,2828,Yes,Yes,Illicit,DB00318,https://go.drugbank.com/drugs/DB00318,
DBoRL2197,Codeine,"10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0?,??.0?,??.0?,??]octadeca-7(18),8,10,15-tetraen-14-ol",COC1=C2OC3C(O)C=CC4C5CC(C=C1)=C2C34CCN5C,"InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3",OROGSEYTTFOCAN-UHFFFAOYNA-N,C18H21NO3,Not Found,299.37,1.342951283,1,4,1,5,FC13(full-length  RNA aptamer),Will be updated soon.,7038331,,,,,,Barrett-Connor E. Drugs for the treatment of parasitic infection. Med Clin North Am. 1982 Jan;66(1):245-55. doi: 10.1016/s0025-7125(16)31457-2. PMID: 7038331.,,,,,,https://pubmed.ncbi.nlm.nih.gov/7038331/,,,,,,2828,Yes,Yes,Illicit,DB00318,https://go.drugbank.com/drugs/DB00318,
DBoRL2198,Codeine,"10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0?,??.0?,??.0?,??]octadeca-7(18),8,10,15-tetraen-14-ol",COC1=C2OC3C(O)C=CC4C5CC(C=C1)=C2C34CCN5C,"InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3",OROGSEYTTFOCAN-UHFFFAOYNA-N,C18H21NO3,Not Found,299.37,1.342951283,1,4,1,5,FC17(full-length  RNA aptamer),Will be updated soon.,7038331,,,,,,Barrett-Connor E. Drugs for the treatment of parasitic infection. Med Clin North Am. 1982 Jan;66(1):245-55. doi: 10.1016/s0025-7125(16)31457-2. PMID: 7038331.,,,,,,https://pubmed.ncbi.nlm.nih.gov/7038331/,,,,,,2828,Yes,Yes,Illicit,DB00318,https://go.drugbank.com/drugs/DB00318,
DBoRL2199,Codeine,"10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0?,??.0?,??.0?,??]octadeca-7(18),8,10,15-tetraen-14-ol",COC1=C2OC3C(O)C=CC4C5CC(C=C1)=C2C34CCN5C,"InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3",OROGSEYTTFOCAN-UHFFFAOYNA-N,C18H21NO3,Not Found,299.37,1.342951283,1,4,1,5,FC21(full-length  RNA aptamer),Will be updated soon.,7038331,,,,,,Barrett-Connor E. Drugs for the treatment of parasitic infection. Med Clin North Am. 1982 Jan;66(1):245-55. doi: 10.1016/s0025-7125(16)31457-2. PMID: 7038331.,,,,,,https://pubmed.ncbi.nlm.nih.gov/7038331/,,,,,,2828,Yes,Yes,Illicit,DB00318,https://go.drugbank.com/drugs/DB00318,
DBoRL2200,Codeine,"10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0?,??.0?,??.0?,??]octadeca-7(18),8,10,15-tetraen-14-ol",COC1=C2OC3C(O)C=CC4C5CC(C=C1)=C2C34CCN5C,"InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3",OROGSEYTTFOCAN-UHFFFAOYNA-N,C18H21NO3,Not Found,299.37,1.342951283,1,4,1,5,FC23(full-length  RNA aptamer),Will be updated soon.,7038331,,,,,,Barrett-Connor E. Drugs for the treatment of parasitic infection. Med Clin North Am. 1982 Jan;66(1):245-55. doi: 10.1016/s0025-7125(16)31457-2. PMID: 7038331.,,,,,,https://pubmed.ncbi.nlm.nih.gov/7038331/,,,,,,2828,Yes,Yes,Illicit,DB00318,https://go.drugbank.com/drugs/DB00318,
DBoRL2201,Codeine,"10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0?,??.0?,??.0?,??]octadeca-7(18),8,10,15-tetraen-14-ol",COC1=C2OC3C(O)C=CC4C5CC(C=C1)=C2C34CCN5C,"InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3",OROGSEYTTFOCAN-UHFFFAOYNA-N,C18H21NO3,Not Found,299.37,1.342951283,1,4,1,5,FC27(full-length  RNA aptamer),Will be updated soon.,7038331,,,,,,Barrett-Connor E. Drugs for the treatment of parasitic infection. Med Clin North Am. 1982 Jan;66(1):245-55. doi: 10.1016/s0025-7125(16)31457-2. PMID: 7038331.,,,,,,https://pubmed.ncbi.nlm.nih.gov/7038331/,,,,,,2828,Yes,Yes,Illicit,DB00318,https://go.drugbank.com/drugs/DB00318,
DBoRL2202,Codeine,"10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0?,??.0?,??.0?,??]octadeca-7(18),8,10,15-tetraen-14-ol",COC1=C2OC3C(O)C=CC4C5CC(C=C1)=C2C34CCN5C,"InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3",OROGSEYTTFOCAN-UHFFFAOYNA-N,C18H21NO3,Not Found,299.37,1.342951283,1,4,1,5,FC34(full-length  RNA aptamer),Will be updated soon.,7038331,,,,,,Barrett-Connor E. Drugs for the treatment of parasitic infection. Med Clin North Am. 1982 Jan;66(1):245-55. doi: 10.1016/s0025-7125(16)31457-2. PMID: 7038331.,,,,,,https://pubmed.ncbi.nlm.nih.gov/7038331/,,,,,,2828,Yes,Yes,Illicit,DB00318,https://go.drugbank.com/drugs/DB00318,
DBoRL2203,Codeine,"10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0?,??.0?,??.0?,??]octadeca-7(18),8,10,15-tetraen-14-ol",COC1=C2OC3C(O)C=CC4C5CC(C=C1)=C2C34CCN5C,"InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3",OROGSEYTTFOCAN-UHFFFAOYNA-N,C18H21NO3,Not Found,299.37,1.342951283,1,4,1,5,FC45(full-length  RNA aptamer),Will be updated soon.,7038331,,,,,,Barrett-Connor E. Drugs for the treatment of parasitic infection. Med Clin North Am. 1982 Jan;66(1):245-55. doi: 10.1016/s0025-7125(16)31457-2. PMID: 7038331.,,,,,,https://pubmed.ncbi.nlm.nih.gov/7038331/,,,,,,2828,Yes,Yes,Illicit,DB00318,https://go.drugbank.com/drugs/DB00318,
DBoRL2204,Codeine,"10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0?,??.0?,??.0?,??]octadeca-7(18),8,10,15-tetraen-14-ol",COC1=C2OC3C(O)C=CC4C5CC(C=C1)=C2C34CCN5C,"InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3",OROGSEYTTFOCAN-UHFFFAOYNA-N,C18H21NO3,Not Found,299.37,1.342951283,1,4,1,5,A3(full-length  RNA aptamer),Will be updated soon.,7038331,,,,,,Barrett-Connor E. Drugs for the treatment of parasitic infection. Med Clin North Am. 1982 Jan;66(1):245-55. doi: 10.1016/s0025-7125(16)31457-2. PMID: 7038331.,,,,,,https://pubmed.ncbi.nlm.nih.gov/7038331/,,,,,,2828,Yes,Yes,Illicit,DB00318,https://go.drugbank.com/drugs/DB00318,
DBoRL2205,Codeine,"10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0?,??.0?,??.0?,??]octadeca-7(18),8,10,15-tetraen-14-ol",COC1=C2OC3C(O)C=CC4C5CC(C=C1)=C2C34CCN5C,"InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3",OROGSEYTTFOCAN-UHFFFAOYNA-N,C18H21NO3,Not Found,299.37,1.342951283,1,4,1,5,A20 (full-length RNA aptamer),Will be updated soon.,7038331,,,,,,Barrett-Connor E. Drugs for the treatment of parasitic infection. Med Clin North Am. 1982 Jan;66(1):245-55. doi: 10.1016/s0025-7125(16)31457-2. PMID: 7038331.,,,,,,https://pubmed.ncbi.nlm.nih.gov/7038331/,,,,,,2828,Yes,Yes,Illicit,DB00318,https://go.drugbank.com/drugs/DB00318,
DBoRL2206,Codeine,"10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0?,??.0?,??.0?,??]octadeca-7(18),8,10,15-tetraen-14-ol",COC1=C2OC3C(O)C=CC4C5CC(C=C1)=C2C34CCN5C,"InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3",OROGSEYTTFOCAN-UHFFFAOYNA-N,C18H21NO3,Not Found,299.37,1.342951283,1,4,1,5,A25 (full-length RNA aptamer),Will be updated soon.,7038331,,,,,,Barrett-Connor E. Drugs for the treatment of parasitic infection. Med Clin North Am. 1982 Jan;66(1):245-55. doi: 10.1016/s0025-7125(16)31457-2. PMID: 7038331.,,,,,,https://pubmed.ncbi.nlm.nih.gov/7038331/,,,,,,2828,Yes,Yes,Illicit,DB00318,https://go.drugbank.com/drugs/DB00318,
DBoRL2207,Codeine,"10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0?,??.0?,??.0?,??]octadeca-7(18),8,10,15-tetraen-14-ol",COC1=C2OC3C(O)C=CC4C5CC(C=C1)=C2C34CCN5C,"InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3",OROGSEYTTFOCAN-UHFFFAOYNA-N,C18H21NO3,Not Found,299.37,1.342951283,1,4,1,5,B2(full-length RNA aptamer),Will be updated soon.,7038331,,,,,,Barrett-Connor E. Drugs for the treatment of parasitic infection. Med Clin North Am. 1982 Jan;66(1):245-55. doi: 10.1016/s0025-7125(16)31457-2. PMID: 7038331.,,,,,,https://pubmed.ncbi.nlm.nih.gov/7038331/,,,,,,2828,Yes,Yes,Illicit,DB00318,https://go.drugbank.com/drugs/DB00318,
DBoRL2208,Codeine,"10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0?,??.0?,??.0?,??]octadeca-7(18),8,10,15-tetraen-14-ol",COC1=C2OC3C(O)C=CC4C5CC(C=C1)=C2C34CCN5C,"InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3",OROGSEYTTFOCAN-UHFFFAOYNA-N,C18H21NO3,Not Found,299.37,1.342951283,1,4,1,5,B9 (full-length RNA aptamer),Will be updated soon.,7038331,,,,,,Barrett-Connor E. Drugs for the treatment of parasitic infection. Med Clin North Am. 1982 Jan;66(1):245-55. doi: 10.1016/s0025-7125(16)31457-2. PMID: 7038331.,,,,,,https://pubmed.ncbi.nlm.nih.gov/7038331/,,,,,,2828,Yes,Yes,Illicit,DB00318,https://go.drugbank.com/drugs/DB00318,
DBoRL2209,Codeine,"10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0?,??.0?,??.0?,??]octadeca-7(18),8,10,15-tetraen-14-ol",COC1=C2OC3C(O)C=CC4C5CC(C=C1)=C2C34CCN5C,"InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3",OROGSEYTTFOCAN-UHFFFAOYNA-N,C18H21NO3,Not Found,299.37,1.342951283,1,4,1,5,B11 (full-length RNA aptamer),Will be updated soon.,7038331,,,,,,Barrett-Connor E. Drugs for the treatment of parasitic infection. Med Clin North Am. 1982 Jan;66(1):245-55. doi: 10.1016/s0025-7125(16)31457-2. PMID: 7038331.,,,,,,https://pubmed.ncbi.nlm.nih.gov/7038331/,,,,,,2828,Yes,Yes,Illicit,DB00318,https://go.drugbank.com/drugs/DB00318,
DBoRL2210,Codeine,"10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0?,??.0?,??.0?,??]octadeca-7(18),8,10,15-tetraen-14-ol",COC1=C2OC3C(O)C=CC4C5CC(C=C1)=C2C34CCN5C,"InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3",OROGSEYTTFOCAN-UHFFFAOYNA-N,C18H21NO3,Not Found,299.37,1.342951283,1,4,1,5,B12 (full-length RNA aptamer),Will be updated soon.,7038331,,,,,,Barrett-Connor E. Drugs for the treatment of parasitic infection. Med Clin North Am. 1982 Jan;66(1):245-55. doi: 10.1016/s0025-7125(16)31457-2. PMID: 7038331.,,,,,,https://pubmed.ncbi.nlm.nih.gov/7038331/,,,,,,2828,Yes,Yes,Illicit,DB00318,https://go.drugbank.com/drugs/DB00318,
DBoRL2211,Codeine,"10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0?,??.0?,??.0?,??]octadeca-7(18),8,10,15-tetraen-14-ol",COC1=C2OC3C(O)C=CC4C5CC(C=C1)=C2C34CCN5C,"InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3",OROGSEYTTFOCAN-UHFFFAOYNA-N,C18H21NO3,Not Found,299.37,1.342951283,1,4,1,5,C4 (full-length RNA aptamer),Will be updated soon.,7038331,,,,,,Barrett-Connor E. Drugs for the treatment of parasitic infection. Med Clin North Am. 1982 Jan;66(1):245-55. doi: 10.1016/s0025-7125(16)31457-2. PMID: 7038331.,,,,,,https://pubmed.ncbi.nlm.nih.gov/7038331/,,,,,,2828,Yes,Yes,Illicit,DB00318,https://go.drugbank.com/drugs/DB00318,
DBoRL2212,Codeine,"10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0?,??.0?,??.0?,??]octadeca-7(18),8,10,15-tetraen-14-ol",COC1=C2OC3C(O)C=CC4C5CC(C=C1)=C2C34CCN5C,"InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3",OROGSEYTTFOCAN-UHFFFAOYNA-N,C18H21NO3,Not Found,299.37,1.342951283,1,4,1,5,C9 (full-length RNA aptamer),Will be updated soon.,7038331,,,,,,Barrett-Connor E. Drugs for the treatment of parasitic infection. Med Clin North Am. 1982 Jan;66(1):245-55. doi: 10.1016/s0025-7125(16)31457-2. PMID: 7038331.,,,,,,https://pubmed.ncbi.nlm.nih.gov/7038331/,,,,,,2828,Yes,Yes,Illicit,DB00318,https://go.drugbank.com/drugs/DB00318,
DBoRL2213,Codeine,"10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0?,??.0?,??.0?,??]octadeca-7(18),8,10,15-tetraen-14-ol",COC1=C2OC3C(O)C=CC4C5CC(C=C1)=C2C34CCN5C,"InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3",OROGSEYTTFOCAN-UHFFFAOYNA-N,C18H21NO3,Not Found,299.37,1.342951283,1,4,1,5,C12 (full-length RNA aptamer),Will be updated soon.,7038331,,,,,,Barrett-Connor E. Drugs for the treatment of parasitic infection. Med Clin North Am. 1982 Jan;66(1):245-55. doi: 10.1016/s0025-7125(16)31457-2. PMID: 7038331.,,,,,,https://pubmed.ncbi.nlm.nih.gov/7038331/,,,,,,2828,Yes,Yes,Illicit,DB00318,https://go.drugbank.com/drugs/DB00318,
DBoRL2214,Codeine,"10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0?,??.0?,??.0?,??]octadeca-7(18),8,10,15-tetraen-14-ol",COC1=C2OC3C(O)C=CC4C5CC(C=C1)=C2C34CCN5C,"InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3",OROGSEYTTFOCAN-UHFFFAOYNA-N,C18H21NO3,Not Found,299.37,1.342951283,1,4,1,5,C15(full-length RNA aptamer),Will be updated soon.,7038331,,,,,,Barrett-Connor E. Drugs for the treatment of parasitic infection. Med Clin North Am. 1982 Jan;66(1):245-55. doi: 10.1016/s0025-7125(16)31457-2. PMID: 7038331.,,,,,,https://pubmed.ncbi.nlm.nih.gov/7038331/,,,,,,2828,Yes,Yes,Illicit,DB00318,https://go.drugbank.com/drugs/DB00318,
DBoRL2215,Codeine,"10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0?,??.0?,??.0?,??]octadeca-7(18),8,10,15-tetraen-14-ol",COC1=C2OC3C(O)C=CC4C5CC(C=C1)=C2C34CCN5C,"InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3",OROGSEYTTFOCAN-UHFFFAOYNA-N,C18H21NO3,Not Found,299.37,1.342951283,1,4,1,5,C23(full-length RNA aptamer),Will be updated soon.,7038331,,,,,,Barrett-Connor E. Drugs for the treatment of parasitic infection. Med Clin North Am. 1982 Jan;66(1):245-55. doi: 10.1016/s0025-7125(16)31457-2. PMID: 7038331.,,,,,,https://pubmed.ncbi.nlm.nih.gov/7038331/,,,,,,2828,Yes,Yes,Illicit,DB00318,https://go.drugbank.com/drugs/DB00318,
DBoRL2216,Lysine,"(2S)-2,6-diaminohexanoic acid",NCCCC[C@H](N)C(O)=O,"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1",KDXKERNSBIXSRK-YFKPBYRVSA-N,C6H14N2O2,"56-87-1,25104-18-1,12798-06-0,20166-34-1",146.19,-3.214534721,3,4,5,0,Bacillus subtilis lysC aptamer domain,Will be updated soon.,23067368,,,,,,"Fiegland LR, Garst AD, Batey RT, Nesbitt DJ. Single-molecule studies of the lysine riboswitch reveal effector-dependent conformational dynamics of the aptamer domain. Biochemistry. 2012 Nov 13;51(45):9223-33. doi: 10.1021/bi3007753. Epub 2012 Oct 30. PMID: 23067368; PMCID: PMC3703957.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23067368/,,,,,,5962,Yes,Yes,Nutraceutical,DB00123,https://go.drugbank.com/drugs/DB00123,
DBoRL2217,Glycine,2-aminoacetic acid,NCC(O)=O,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",DHMQDGOQFOQNFH-UHFFFAOYSA-N,C2H5NO2,"56-40-6,25718-94-9,18875-39-3,127883-08-3",75.067,-3.409459573,2,3,1,0,RNA aptamer VCIII ( nt 1-225),Will be updated soon.,22279151,,,,,,"Sherman EM, Esquiaqui J, Elsayed G, Ye JD. An energetically beneficial leader-linker interaction abolishes ligand-binding cooperativity in glycine riboswitches. RNA. 2012 Mar;18(3):496-507. doi: 10.1261/rna.031286.111. Epub 2012 Jan 25. PMID: 22279151; PMCID: PMC3285937.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22279151/,,,,,,750,Yes,Yes,Nutraceutical Vet_approved,DB00145,https://go.drugbank.com/drugs/DB00145,
DBoRL2218,Glycine,2-aminoacetic acid,NCC(O)=O,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",DHMQDGOQFOQNFH-UHFFFAOYSA-N,C2H5NO2,"56-40-6,25718-94-9,18875-39-3,127883-08-3",75.067,-3.409459573,2,3,1,0,RNA aptamer VCIIIs (nt 7-225),Will be updated soon.,22279151,,,,,,"Sherman EM, Esquiaqui J, Elsayed G, Ye JD. An energetically beneficial leader-linker interaction abolishes ligand-binding cooperativity in glycine riboswitches. RNA. 2012 Mar;18(3):496-507. doi: 10.1261/rna.031286.111. Epub 2012 Jan 25. PMID: 22279151; PMCID: PMC3285937.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22279151/,,,,,,750,Yes,Yes,Nutraceutical Vet_approved,DB00145,https://go.drugbank.com/drugs/DB00145,
DBoRL2219,Glycine,2-aminoacetic acid,NCC(O)=O,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",DHMQDGOQFOQNFH-UHFFFAOYSA-N,C2H5NO2,"56-40-6,25718-94-9,18875-39-3,127883-08-3",75.067,-3.409459573,2,3,1,0,RNA aptamer VCLD (nt 7 to 225),Will be updated soon.,22279151,,,,,,"Sherman EM, Esquiaqui J, Elsayed G, Ye JD. An energetically beneficial leader-linker interaction abolishes ligand-binding cooperativity in glycine riboswitches. RNA. 2012 Mar;18(3):496-507. doi: 10.1261/rna.031286.111. Epub 2012 Jan 25. PMID: 22279151; PMCID: PMC3285937.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22279151/,,,,,,750,Yes,Yes,Nutraceutical Vet_approved,DB00145,https://go.drugbank.com/drugs/DB00145,
DBoRL2220,Glycine,2-aminoacetic acid,NCC(O)=O,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",DHMQDGOQFOQNFH-UHFFFAOYSA-N,C2H5NO2,"56-40-6,25718-94-9,18875-39-3,127883-08-3",75.067,-3.409459573,2,3,1,0,"RNA aptamer VCIIILN(nt 1?225, GGA136?138CCC)",Will be updated soon.,22279151,,,,,,"Sherman EM, Esquiaqui J, Elsayed G, Ye JD. An energetically beneficial leader-linker interaction abolishes ligand-binding cooperativity in glycine riboswitches. RNA. 2012 Mar;18(3):496-507. doi: 10.1261/rna.031286.111. Epub 2012 Jan 25. PMID: 22279151; PMCID: PMC3285937.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22279151/,,,,,,750,Yes,Yes,Nutraceutical Vet_approved,DB00145,https://go.drugbank.com/drugs/DB00145,
DBoRL2221,Glycine,2-aminoacetic acid,NCC(O)=O,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",DHMQDGOQFOQNFH-UHFFFAOYSA-N,C2H5NO2,"56-40-6,25718-94-9,18875-39-3,127883-08-3",75.067,-3.409459573,2,3,1,0,"RNA aptamer VCLDLN (nt 7 to 225, GGA136?138CCC)",Will be updated soon.,22279151,,,,,,"Sherman EM, Esquiaqui J, Elsayed G, Ye JD. An energetically beneficial leader-linker interaction abolishes ligand-binding cooperativity in glycine riboswitches. RNA. 2012 Mar;18(3):496-507. doi: 10.1261/rna.031286.111. Epub 2012 Jan 25. PMID: 22279151; PMCID: PMC3285937.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22279151/,,,,,,750,Yes,Yes,Nutraceutical Vet_approved,DB00145,https://go.drugbank.com/drugs/DB00145,
DBoRL2222,Glycine,2-aminoacetic acid,NCC(O)=O,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",DHMQDGOQFOQNFH-UHFFFAOYSA-N,C2H5NO2,"56-40-6,25718-94-9,18875-39-3,127883-08-3",75.067,-3.409459573,2,3,1,0,RNA aptamer VCII133 (nt 133-225),Will be updated soon.,22279151,,,,,,"Sherman EM, Esquiaqui J, Elsayed G, Ye JD. An energetically beneficial leader-linker interaction abolishes ligand-binding cooperativity in glycine riboswitches. RNA. 2012 Mar;18(3):496-507. doi: 10.1261/rna.031286.111. Epub 2012 Jan 25. PMID: 22279151; PMCID: PMC3285937.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22279151/,,,,,,750,Yes,Yes,Nutraceutical Vet_approved,DB00145,https://go.drugbank.com/drugs/DB00145,
DBoRL2223,Glycine,2-aminoacetic acid,NCC(O)=O,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",DHMQDGOQFOQNFH-UHFFFAOYSA-N,C2H5NO2,"56-40-6,25718-94-9,18875-39-3,127883-08-3",75.067,-3.409459573,2,3,1,0,"RNA aptamer VCIIIG17C (nt 1?225, G17C)",Will be updated soon.,22279151,,,,,,"Sherman EM, Esquiaqui J, Elsayed G, Ye JD. An energetically beneficial leader-linker interaction abolishes ligand-binding cooperativity in glycine riboswitches. RNA. 2012 Mar;18(3):496-507. doi: 10.1261/rna.031286.111. Epub 2012 Jan 25. PMID: 22279151; PMCID: PMC3285937.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22279151/,,,,,,750,Yes,Yes,Nutraceutical Vet_approved,DB00145,https://go.drugbank.com/drugs/DB00145,
DBoRL2224,Glycine,2-aminoacetic acid,NCC(O)=O,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",DHMQDGOQFOQNFH-UHFFFAOYSA-N,C2H5NO2,"56-40-6,25718-94-9,18875-39-3,127883-08-3",75.067,-3.409459573,2,3,1,0,"RNA aptamer VCIIIG146C (nt 1?225, G146C)",Will be updated soon.,22279151,,,,,,"Sherman EM, Esquiaqui J, Elsayed G, Ye JD. An energetically beneficial leader-linker interaction abolishes ligand-binding cooperativity in glycine riboswitches. RNA. 2012 Mar;18(3):496-507. doi: 10.1261/rna.031286.111. Epub 2012 Jan 25. PMID: 22279151; PMCID: PMC3285937.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22279151/,,,,,,750,Yes,Yes,Nutraceutical Vet_approved,DB00145,https://go.drugbank.com/drugs/DB00145,
DBoRL2225,Glycine,2-aminoacetic acid,NCC(O)=O,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",DHMQDGOQFOQNFH-UHFFFAOYSA-N,C2H5NO2,"56-40-6,25718-94-9,18875-39-3,127883-08-3",75.067,-3.409459573,2,3,1,0,"RNA aptamer VCLDG17C (nt 7 to 225, G17C)",Will be updated soon.,22279151,,,,,,"Sherman EM, Esquiaqui J, Elsayed G, Ye JD. An energetically beneficial leader-linker interaction abolishes ligand-binding cooperativity in glycine riboswitches. RNA. 2012 Mar;18(3):496-507. doi: 10.1261/rna.031286.111. Epub 2012 Jan 25. PMID: 22279151; PMCID: PMC3285937.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22279151/,,,,,,750,Yes,Yes,Nutraceutical Vet_approved,DB00145,https://go.drugbank.com/drugs/DB00145,
DBoRL2226,Glycine,2-aminoacetic acid,NCC(O)=O,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",DHMQDGOQFOQNFH-UHFFFAOYSA-N,C2H5NO2,"56-40-6,25718-94-9,18875-39-3,127883-08-3",75.067,-3.409459573,2,3,1,0,"RNA aptamer VCLDG146C (nt 7 to 225, G146C)",Will be updated soon.,22279151,,,,,,"Sherman EM, Esquiaqui J, Elsayed G, Ye JD. An energetically beneficial leader-linker interaction abolishes ligand-binding cooperativity in glycine riboswitches. RNA. 2012 Mar;18(3):496-507. doi: 10.1261/rna.031286.111. Epub 2012 Jan 25. PMID: 22279151; PMCID: PMC3285937.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22279151/,,,,,,750,Yes,Yes,Nutraceutical Vet_approved,DB00145,https://go.drugbank.com/drugs/DB00145,
DBoRL2227,Glycine,2-aminoacetic acid,NCC(O)=O,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",DHMQDGOQFOQNFH-UHFFFAOYSA-N,C2H5NO2,"56-40-6,25718-94-9,18875-39-3,127883-08-3",75.067,-3.409459573,2,3,1,0,RNA aptamer FNIII( nt 1?158),Will be updated soon.,22279151,,,,,,"Sherman EM, Esquiaqui J, Elsayed G, Ye JD. An energetically beneficial leader-linker interaction abolishes ligand-binding cooperativity in glycine riboswitches. RNA. 2012 Mar;18(3):496-507. doi: 10.1261/rna.031286.111. Epub 2012 Jan 25. PMID: 22279151; PMCID: PMC3285937.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22279151/,,,,,,750,Yes,Yes,Nutraceutical Vet_approved,DB00145,https://go.drugbank.com/drugs/DB00145,
DBoRL2228,Glycine,2-aminoacetic acid,NCC(O)=O,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",DHMQDGOQFOQNFH-UHFFFAOYSA-N,C2H5NO2,"56-40-6,25718-94-9,18875-39-3,127883-08-3",75.067,-3.409459573,2,3,1,0,RNA aptamer FNLD (nt 11 to 158),Will be updated soon.,22279151,,,,,,"Sherman EM, Esquiaqui J, Elsayed G, Ye JD. An energetically beneficial leader-linker interaction abolishes ligand-binding cooperativity in glycine riboswitches. RNA. 2012 Mar;18(3):496-507. doi: 10.1261/rna.031286.111. Epub 2012 Jan 25. PMID: 22279151; PMCID: PMC3285937.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22279151/,,,,,,750,Yes,Yes,Nutraceutical Vet_approved,DB00145,https://go.drugbank.com/drugs/DB00145,
DBoRL2229,Glycine ,2-aminoacetic acid,NCC(O)=O,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",DHMQDGOQFOQNFH-UHFFFAOYSA-N,C2H5NO2,"56-40-6,25718-94-9,18875-39-3,127883-08-3",75.067,-3.409459573,2,3,1,0,RNA aptamer BSIII (nt 13?202),Will be updated soon.,22279151,,,,,,"Sherman EM, Esquiaqui J, Elsayed G, Ye JD. An energetically beneficial leader-linker interaction abolishes ligand-binding cooperativity in glycine riboswitches. RNA. 2012 Mar;18(3):496-507. doi: 10.1261/rna.031286.111. Epub 2012 Jan 25. PMID: 22279151; PMCID: PMC3285937.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22279151/,,,,,,750,Yes,Yes,Nutraceutical Vet_approved,DB00145,https://go.drugbank.com/drugs/DB00145,
DBoRL2230,Glycine,2-aminoacetic acid,NCC(O)=O,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",DHMQDGOQFOQNFH-UHFFFAOYSA-N,C2H5NO2,"56-40-6,25718-94-9,18875-39-3,127883-08-3",75.067,-3.409459573,2,3,1,0,RNA aptamer BSLD (nt 1?202),Will be updated soon.,22279151,,,,,,"Sherman EM, Esquiaqui J, Elsayed G, Ye JD. An energetically beneficial leader-linker interaction abolishes ligand-binding cooperativity in glycine riboswitches. RNA. 2012 Mar;18(3):496-507. doi: 10.1261/rna.031286.111. Epub 2012 Jan 25. PMID: 22279151; PMCID: PMC3285937.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22279151/,,,,,,750,Yes,Yes,Nutraceutical Vet_approved,DB00145,https://go.drugbank.com/drugs/DB00145,
DBoRL2231,(R-isomer)-Thalidomide derivative,"4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione",NCCOC1=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=CC=C1,"InChI=1/C15H15N3O5/c16-6-7-23-10-3-1-2-8-12(10)15(22)18(14(8)21)9-4-5-11(19)17-13(9)20/h1-3,9H,4-7,16H2,(H,17,19,20)",AXEKUDWMPOBTMQ-UHFFFAOYNA-N,C15H15N3O5,Not Found,317.301,-0.938947718,2,6,4,3,thalidomide-binding aptamer,Will be updated soon.,17263432,,,,,,"Shoji A, Kuwahara M, Ozaki H, Sawai H. Modified DNA aptamer that binds the (R)-isomer of a thalidomide derivative with high enantioselectivity. J Am Chem Soc. 2007 Feb 7;129(5):1456-64. doi: 10.1021/ja067098n. PMID: 17263432.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17263432/,,,,,,132427813,No,No,,,,
DBoRL2232,Cholic acid,"4-{4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoic acid",[H]C1(CCC2([H])C3([H])C(O)CC4([H])CC(O)CCC4(C)C3([H])CC(O)C12C)C(C)CCC(O)=O,"InChI=1/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)",BHQCQFFYRZLCQQ-UHFFFAOYNA-N,C24H40O5,Not Found,408.579,2.482494457,4,5,4,4,Ch9-48 aptamer (junction 2G-C bind with ligand),Will be updated soon.,10756198,,,,,,"Kato T, Yano K, Ikebukuro K, Karube I. Interaction of three-way DNA junctions with steroids. Nucleic Acids Res. 2000 May 1;28(9):1963-8. doi: 10.1093/nar/28.9.1963. PMID: 10756198; PMCID: PMC103303.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10756198/,,,,,,303,Yes,Yes,,DB02659,https://go.drugbank.com/drugs/DB02659,
DBoRL2233,Chenodeoxycholic acid,"4-{4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoic acid",[H]C12CCC(C(C)CCC(O)=O)C1(C)CCC1([H])C2([H])C(O)CC2([H])CC(O)CCC12C,"InChI=1/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)",RUDATBOHQWOJDD-UHFFFAOYNA-N,C24H40O4,Not Found,392.58,3.713305524,3,4,4,4,Ch9-48 aptamer (junction 2G-C bind with ligand),Will be updated soon.,10756198,,,,,,"Kato T, Yano K, Ikebukuro K, Karube I. Interaction of three-way DNA junctions with steroids. Nucleic Acids Res. 2000 May 1;28(9):1963-8. doi: 10.1093/nar/28.9.1963. PMID: 10756198; PMCID: PMC103303.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10756198/,,,,,,5645,Yes,Yes,,DB06777,https://go.drugbank.com/drugs/DB06777,
DBoRL2234,Neomycin B,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",[H]NC1C(O)C(O)C(CN)OC1OC1C(CO)OC(OC2C(O)C(N)CC(N)C2OC2OC(CN)C(O)C(O)C2N)C1O,"InChI=1/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2",PGBHMTALBVVCIT-UHFFFAOYNA-N,C23H46N6O13,Not Found,614.65,-8.415177746,13,19,9,4,1NEM  RNA aptamer: 5'-[R(GGACUGGGCGAGAAGUUUAGUCC)]-3',Will be updated soon.,10425683,,,,,,"Jiang L, Majumdar A, Hu W, Jaishree TJ, Xu W, Patel DJ. Saccharide-RNA recognition in a complex formed between neomycin B and an RNA aptamer. Structure. 1999 Jul 15;7(7):817-27. doi: 10.1016/s0969-2126(99)80105-1. PMID: 10425683.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10425683/,,,,,,4454,Yes,Yes,,DB00452,https://go.drugbank.com/drugs/DB00452,
DBoRL2235,TPP,"3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium",CC1=C(CCOP(O)(=O)OP(O)(O)=O)SC=[N+]1CC1=CN=C(C)N=C1N,"InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1",AYEKOFBPNLCAJY-UHFFFAOYSA-O,C12H19N4O7P2S,136-08-3,425.31,-5.921057522,4,8,8,2,Consensus TPP aptamer,Will be updated soon.,16356850,,,,,,"Sudarsan N, Cohen-Chalamish S, Nakamura S, Emilsson GM, Breaker RR. Thiamine pyrophosphate riboswitches are targets for the antimicrobial compound pyrithiamine. Chem Biol. 2005 Dec;12(12):1325-35. doi: 10.1016/j.chembiol.2005.10.007. PMID: 16356850.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16356850/,,,,,,1132,Yes,Yes,Experimental,DB01987,https://go.drugbank.com/drugs/DB01987,
DBoRL2236,PTPP,1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-methylpyridin-1-ium,CC1=NC=C(C[N+]2=CC=CC(CCOP(O)(=O)OP(O)(O)=O)=C2C)C(N)=N1,"InChI=1S/C14H20N4O7P2/c1-10-12(5-7-24-27(22,23)25-26(19,20)21)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8H,5,7,9H2,1-2H3,(H4-,15,16,17,19,20,21,22,23)/p+1",ZHKSTKOYQKNDSJ-UHFFFAOYSA-O,C14H21N4O7P2,Not Found,419.29,-6.838272826,4,8,8,2,Consensus TPP aptamer,Will be updated soon.,16356850,,,,,,"Sudarsan N, Cohen-Chalamish S, Nakamura S, Emilsson GM, Breaker RR. Thiamine pyrophosphate riboswitches are targets for the antimicrobial compound pyrithiamine. Chem Biol. 2005 Dec;12(12):1325-35. doi: 10.1016/j.chembiol.2005.10.007. PMID: 16356850.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16356850/,,,,,,5327150,Yes,No,Experimental,DB04768,https://go.drugbank.com/drugs/DB04768,
DBoRL2237,FMN,"{[(2R,3R,4S)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy}phosphonic acid",CC1=CC2=C(C=C1C)N(C[C@H](O)[C@@H](O)[C@H](O)COP(O)(O)=O)C1=NC(=O)NC(=O)C1=N2,"InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14+/m0/s1",FVTCRASFADXXNN-OUCADQQQSA-N,C17H21N4O9P,Not Found,456.348,-1.198429543,6,11,7,3,FMN riboswitch from B. subtilis 165 ribD RNA,Will be updated soon.,19246992,,,,,,"Lee ER, Blount KF, Breaker RR. Roseoflavin is a natural antibacterial compound that binds to FMN riboswitches and regulates gene expression. RNA Biol. 2009 Apr-Jun;6(2):187-94. doi: 10.4161/rna.6.2.7727. Epub 2009 Apr 30. PMID: 19246992; PMCID: PMC5340298.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19246992/,,,,,,7048781,Yes,Yes,Investigational,DB03247,https://go.drugbank.com/drugs/DB03247,
DBoRL2238,Roseoflavin,"8-(dimethylamino)-7-methyl-10-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione",CN(C)C1=CC2=C(C=C1C)N=C1C(=O)NC(=O)N=C1N2C[C@H](O)[C@@H](O)[C@H](O)CO,"InChI=1S/C18H23N5O6/c1-8-4-9-11(5-10(8)22(2)3)23(6-12(25)15(27)13(26)7-24)16-14(19-9)17(28)21-18(29)20-16/h4-5,12-13,15,24-27H,6-7H2,1-3H3,(H,21,28,29)/t12-,13+,15+/m0/s1",IGQLDUYTWDABFK-GZBFAFLISA-N,C18H23N5O6,Not Found,405.411,-1.415415963,5,10,6,3,FMN riboswitch from B. subtilis 165 ribD RNA,Will be updated soon.,19246992,,,,,,"Lee ER, Blount KF, Breaker RR. Roseoflavin is a natural antibacterial compound that binds to FMN riboswitches and regulates gene expression. RNA Biol. 2009 Apr-Jun;6(2):187-94. doi: 10.4161/rna.6.2.7727. Epub 2009 Apr 30. PMID: 19246992; PMCID: PMC5340298.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19246992/,,,,,,93091899,No,No,,,,
DBoRL2239,Guanine analog G1,"2-(trifluoromethyl)-6,9-dihydro-1H-purin-6-one",FC(F)(F)C1=NC2=C(N=CN2)C(=O)N1,"InChI=1S/C6H3F3N4O/c7-6(8,9)5-12-3-2(4(14)13-5)10-1-11-3/h1H,(H2,10,11,12,13,14)",SLPBZJPJRTYAPU-UHFFFAOYSA-N,C6H3F3N4O,2268-14-6,204.112,0.262440451,2,3,1,2,xpt-pbuX guanine riboswitch aptamer from B. subtilis,Will be updated soon.,19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,135742597,No,No,,,,
DBoRL2240,Guanine analog G2,"2-(methoxyamino)-6,9-dihydro-1H-purin-6-one",CONC1=NC2=C(N=CN2)C(=O)N1,"InChI=1S/C6H7N5O2/c1-13-11-6-9-4-3(5(12)10-6)7-2-8-4/h2H,1H3,(H3,7,8,9,10,11,12)",DXRNCSNRLSCBGK-UHFFFAOYSA-N,C6H7N5O2,1191036-76-6,181.155,-0.706654726,3,5,2,2,xpt-pbuX guanine riboswitch aptamer from B. subtilis,Will be updated soon.,19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,136964342,No,No,,,,
DBoRL2241,Guanine analog G3,"2-[(benzyloxy)amino]-6,9-dihydro-1H-purin-6-one",O=C1NC(NOCC2=CC=CC=C2)=NC2=C1N=CN2,"InChI=1S/C12H11N5O2/c18-11-9-10(14-7-13-9)15-12(16-11)17-19-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17,18)",ULLBCWAASIVLPB-UHFFFAOYSA-N,C12H11N5O2,Not Found,257.253,1.017818392,3,5,4,3,xpt-pbuX guanine riboswitch aptamer from B. subtilis,Will be updated soon.,19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,136439155,No,No,,,,
DBoRL2242,Guanine analog G4,"N-(6-oxo-6,9-dihydro-1H-purin-2-yl)acetamide",CC(=O)NC1=NC2=C(N=CN2)C(=O)N1,"InChI=1S/C7H7N5O2/c1-3(13)10-7-11-5-4(6(14)12-7)8-2-9-5/h2H,1H3,(H3,8,9,10,11,12,13,14)",MXSMRDDXWJSGMC-UHFFFAOYSA-N,C7H7N5O2,19962-37-9,193.166,-1.214825415,3,4,1,2,xpt-pbuX guanine riboswitch aptamer from B. subtilis,Will be updated soon.,19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,135432176,No,No,,,,
DBoRL2243,Guanine analog G5,"2-(2-methylhydrazin-1-yl)-6,9-dihydro-1H-purin-6-one",[H]N(C)N([H])C1=NC2=C(N=CN2)C(=O)N1,"InChI=1S/C6H8N6O/c1-7-12-6-10-4-3(5(13)11-6)8-2-9-4/h2,7H,1H3,(H3,8,9,10,11,12,13)",UPCMIZOXTXHUAE-UHFFFAOYSA-N,C6H8N6O,1191036-78-8,180.171,-1.154233348,4,5,2,2,xpt-pbuX guanine riboswitch aptamer from B. subtilis,Will be updated soon.,19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,136964343,No,No,,,,
DBoRL2244,Guanine analog G6,"2-(2-phenylhydrazin-1-yl)-6,9-dihydro-1H-purin-6-one",[H]N(N([H])C1=NC2=C(N=CN2)C(=O)N1)C1=CC=CC=C1,"InChI=1S/C11H10N6O/c18-10-8-9(13-6-12-8)14-11(15-10)17-16-7-4-2-1-3-5-7/h1-6,16H,(H3,12,13,14,15,17,18)",QWFWXOMGQAOBPH-UHFFFAOYSA-N,C11H10N6O,Not Found,242.242,1.020769357,4,5,3,3,xpt-pbuX guanine riboswitch aptamer from B. subtilis,Will be updated soon.,19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,136675843,No,No,,,,
DBoRL2245,Guanine analog G7,"(6Z)-6-(hydroxyimino)-6,9-dihydro-1H-purin-2-amine",NC1=NC2=C(N=CN2)\C(N1)=N\O,"InChI=1S/C5H6N6O/c6-5-9-3-2(7-1-8-3)4(10-5)11-12/h1,12H,(H4,6,7,8,9,10,11)",UJUHACUYECLPGK-UHFFFAOYSA-N,C5H6N6O,7269-57-0,166.144,-1.025687268,4,6,0,2,xpt-pbuX guanine riboswitch aptamer from B. subtilis,Will be updated soon.,19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,101513,No,No,,,,
DBoRL2246,Guanine analog G8,"(6Z)-6-(methoxyimino)-6,9-dihydro-1H-purin-2-amine",CO\N=C1/NC(N)=NC2=C1N=CN2,"InChI=1S/C6H8N6O/c1-13-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H4,7,8,9,10,11,12)",MPQODCRXMAXIRX-UHFFFAOYSA-N,C6H8N6O,60254-48-0,180.171,-0.647726546,3,6,1,2,xpt-pbuX guanine riboswitch aptamer from B. subtilis,Will be updated soon.,19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,124696,No,No,,,,
DBoRL2247,Guanine analog G9,"(6Z)-6-[(benzyloxy)imino]-6,9-dihydro-1H-purin-2-amine",NC1=NC2=C(N=CN2)\C(N1)=N\OCC1=CC=CC=C1,"InChI=1S/C12H12N6O/c13-12-16-10-9(14-7-15-10)11(17-12)18-19-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H4,13,14,15,16,17,18)",ITGDEKCVZBAMIA-UHFFFAOYSA-N,C12H12N6O,Not Found,256.269,1.076746572,3,6,3,3,xpt-pbuX guanine riboswitch aptamer from B. subtilis,Will be updated soon.,19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,Not Found,No,No,,,,
DBoRL2248,Guanine analog G10,"(6Z)-6-(phenoxyimino)-6,9-dihydro-1H-purin-2-amine",NC1=NC2=C(N=CN2)\C(N1)=N\OC1=CC=CC=C1,"InChI=1S/C11H10N6O/c12-11-15-9-8(13-6-14-9)10(16-11)17-18-7-4-2-1-3-5-7/h1-6H,(H4,12,13,14,15,16,17)",MEOSBYBXRBYQOR-UHFFFAOYSA-N,C11H10N6O,Not Found,242.242,1.010231903,3,6,2,3,xpt-pbuX guanine riboswitch aptamer from B. subtilis,Will be updated soon.,19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,Not Found,No,No,,,,
DBoRL2249,Guanine analog G11,"2-[(6Z)-2-amino-6,9-dihydro-1H-purin-6-ylidene]hydrazinium",[H][N+]([H])([H])\N=C1/NC(N)=NC2=C1N=CN2,"InChI=1S/C5H7N7/c6-5-10-3-2(8-1-9-3)4(11-5)12-7/h1H,7H2,(H4,6,8,9,10,11,12)/p+1",KNOLGURLPMQDCC-UHFFFAOYSA-O,C5H8N7,Not Found,166.167,-1.318981234,4,5,0,2,xpt-pbuX guanine riboswitch aptamer from B. subtilis,Will be updated soon.,19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,Not Found,No,No,,,,
DBoRL2250,Guanine analog G12,"1-[(6Z)-2-amino-6,9-dihydro-1H-purin-6-ylidene]-1-methylhydrazinium",C\[N+](N)=C1\NC(N)=NC2=C1N=CN2,"InChI=1S/C6H9N7/c1-13(8)5-3-4(10-2-9-3)11-6(7)12-5/h2H,8H2,1H3,(H3,7,9,10,11,12)/p+1",RKRMMQDQUVOMBN-UHFFFAOYSA-O,C6H10N7,Not Found,180.194,-4.510763967,4,5,0,2,xpt-pbuX guanine riboswitch aptamer from B. subtilis,Will be updated soon.,19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,Not Found,No,No,,,,
DBoRL2251,Guanine analog G13,"(6Z)-6-(2-benzylhydrazin-1-ylidene)-6,9-dihydro-1H-purin-2-amine",NC1=NC2=C(N=CN2)\C(N1)=N\NCC1=CC=CC=C1,"InChI=1S/C12H13N7/c13-12-17-10-9(14-7-15-10)11(18-12)19-16-6-8-4-2-1-3-5-8/h1-5,7,16H,6H2,(H4,13,14,15,17,18,19)",ARQCTLTUEORANX-UHFFFAOYSA-N,C12H13N7,Not Found,255.285,0.629167949,4,6,3,3,xpt-pbuX guanine riboswitch aptamer from B. subtilis,Will be updated soon.,19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,Not Found,No,No,,,,
DBoRL2252,Guanine analog G14,"(6Z)-6-(2-phenylhydrazin-1-ylidene)-6,9-dihydro-1H-purin-2-amine",NC1=NC2=C(N=CN2)\C(N1)=N\NC1=CC=CC=C1,"InChI=1S/C11H11N7/c12-11-15-9-8(13-6-14-9)10(16-11)18-17-7-4-2-1-3-5-7/h1-6,17H,(H4,12,13,14,15,16,18)",FCDYKKDFVQCTOQ-UHFFFAOYSA-N,C11H11N7,Not Found,241.258,1.079697537,4,6,2,3,xpt-pbuX guanine riboswitch aptamer from B. subtilis,Will be updated soon.,19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,Not Found,No,No,,,,
DBoRL2253,Guanine analog G15,"(6Z)-6-[(4-methoxyphenyl)imino]-6,9-dihydro-1H-purin-2-amine",COC1=CC=C(C=C1)\N=C1/NC(N)=NC2=C1N=CN2,"InChI=1S/C12H12N6O/c1-19-8-4-2-7(3-5-8)16-11-9-10(15-6-14-9)17-12(13)18-11/h2-6H,1H3,(H4,13,14,15,16,17,18)",QQQNMEDKMNNWHV-UHFFFAOYSA-N,C12H12N6O,151644-04-1,256.269,0.868920248,3,6,2,3,xpt-pbuX guanine riboswitch aptamer from B. subtilis,Will be updated soon.,19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,16423206,No,No,,,,
DBoRL2254,Guanine analog G16,"(6Z)-6-{[4-(morpholin-4-yl)phenyl]imino}-6,9-dihydro-1H-purin-2-amine",NC1=NC2=C(N=CN2)\C(N1)=N\C1=CC=C(C=C1)N1CCOCC1,"InChI=1S/C15H17N7O/c16-15-20-13-12(17-9-18-13)14(21-15)19-10-1-3-11(4-2-10)22-5-7-23-8-6-22/h1-4,9H,5-8H2,(H4,16,17,18,19,20,21)",XJECGQLTYGHPEK-UHFFFAOYSA-N,C15H17N7O,Not Found,311.349,0.916134921,3,7,2,4,xpt-pbuX guanine riboswitch aptamer from B. subtilis,Will be updated soon.,19739679,,,,,,"Kim JN, Blount KF, Puskarz I, Lim J, Link KH, Breaker RR. Design and antimicrobial action of purine analogues that bind Guanine riboswitches. ACS Chem Biol. 2009 Nov 20;4(11):915-27. doi: 10.1021/cb900146k. PMID: 19739679; PMCID: PMC4140397.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19739679/,,,,,,Not Found,No,No,,,,
DBoRL2255,"2,4,5,6-Tetraaminopyrimidine","pyrimidine-2,4,5,6-tetramine",NC1=NC(N)=C(N)C(N)=N1,"InChI=1S/C4H8N6/c5-1-2(6)9-4(8)10-3(1)7/h5H2,(H6,6,7,8,9,10)",PZRKPUQWIFJRKZ-UHFFFAOYSA-N,C4H8N6,1004-74-6,140.15,-1.398267278,4,6,0,1,mutant xpt-pbuX guanine riboswitch aptamer from B. subtilis (GR(C74U)),Will be updated soon.,17076468,,,,,,"Gilbert SD, Mediatore SJ, Batey RT. Modified pyrimidines specifically bind the purine riboswitch. J Am Chem Soc. 2006 Nov 8;128(44):14214-5. doi: 10.1021/ja063645t. PMID: 17076468.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17076468/,,,,,,70487,No,No,,,,
DBoRL2256,"2,4,6-Tetraaminopyrimidine","pyrimidine-2,4,6-triamine",NC1=CC(N)=NC(N)=N1,"InChI=1S/C4H7N5/c5-2-1-3(6)9-4(7)8-2/h1H,(H6,5,6,7,8,9)",JTTIOYHBNXDJOD-UHFFFAOYSA-N,C4H7N5,1004-38-2,125.135,-0.569341324,3,5,0,1,mutant xpt-pbuX guanine riboswitch aptamer from B. subtilis (GR(C74U)),Will be updated soon.,17076468,,,,,,"Gilbert SD, Mediatore SJ, Batey RT. Modified pyrimidines specifically bind the purine riboswitch. J Am Chem Soc. 2006 Nov 8;128(44):14214-5. doi: 10.1021/ja063645t. PMID: 17076468.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17076468/,,,,,,13863,No,No,,,,
DBoRL2257,"2,4-Tetraaminopyrimidine","pyrimidine-2,4-diamine",NC1=NC(N)=NC=C1,"InChI=1S/C4H6N4/c5-3-1-2-7-4(6)8-3/h1-2H,(H4,5,6,7,8)",YAAWASYJIRZXSZ-UHFFFAOYSA-N,C4H6N4,156-81-0,110.12,-0.3348729,2,4,0,1,mutant xpt-pbuX guanine riboswitch aptamer from B. subtilis (GR(C74U)),Will be updated soon.,17076468,,,,,,"Gilbert SD, Mediatore SJ, Batey RT. Modified pyrimidines specifically bind the purine riboswitch. J Am Chem Soc. 2006 Nov 8;128(44):14214-5. doi: 10.1021/ja063645t. PMID: 17076468.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17076468/,,,,,,67431,No,No,,,,
DBoRL2258,"2,4,6-Triamino-1,3,5-Triazine","1,3,5-triazine-2,4,6-triamine",NC1=NC(N)=NC(N)=N1,"InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)",JDSHMPZPIAZGSV-UHFFFAOYSA-N,C3H6N6,"108-78-1,1246816-14-7,5432-64-4",126.123,-0.594687779,3,6,0,1,mutant xpt-pbuX guanine riboswitch aptamer from B. subtilis (GR(C74U)),Will be updated soon.,17076468,,,,,,"Gilbert SD, Mediatore SJ, Batey RT. Modified pyrimidines specifically bind the purine riboswitch. J Am Chem Soc. 2006 Nov 8;128(44):14214-5. doi: 10.1021/ja063645t. PMID: 17076468.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17076468/,,,,,,7955,No,No,,,,
DBoRL2259,"2,6-Diaminopurine","9H-purine-2,6-diamine",NC1=NC2=C(N=CN2)C(N)=N1,"InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)",MSSXOMSJDRHRMC-UHFFFAOYSA-N,C5H6N6,"1904-98-9,133762-79-5",150.145,-0.681152662,3,5,0,2,mutant xpt-pbuX guanine riboswitch aptamer from B. subtilis (GR(C74U)),Will be updated soon.,16650860,,,,,,"Gilbert SD, Stoddard CD, Wise SJ, Batey RT. Thermodynamic and kinetic characterization of ligand binding to the purine riboswitch aptamer domain. J Mol Biol. 2006 Jun 9;359(3):754-68. doi: 10.1016/j.jmb.2006.04.003. Epub 2006 Apr 21. Erratum in: J Mol Biol. 2006 Oct 20;363(2):624. PMID: 16650860.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16650860/,,,,,,30976,No,No,,,,
DBoRL2260,Adenine,9H-purin-6-amine,NC1=NC=NC2=C1N=CN2,"InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)",GFFGJBXGBJISGV-UHFFFAOYSA-N,C5H5N5,"73-24-5,134434-48-3,134434-49-4,134454-76-5,66224-66-6,134461-75-9,71660-30-5,66224-67-7,66224-69-9,71660-29-2,1217770-71-2",135.13,-0.53101273,2,4,0,2,mutant xpt-pbuX guanine riboswitch aptamer from B. subtilis (GR(C74U)),Will be updated soon.,16650860,,,,,,"Gilbert SD, Stoddard CD, Wise SJ, Batey RT. Thermodynamic and kinetic characterization of ligand binding to the purine riboswitch aptamer domain. J Mol Biol. 2006 Jun 9;359(3):754-68. doi: 10.1016/j.jmb.2006.04.003. Epub 2006 Apr 21. Erratum in: J Mol Biol. 2006 Oct 20;363(2):624. PMID: 16650860.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16650860/,,,,,,190,Yes,Yes,Nutraceutical,DB00173,https://go.drugbank.com/drugs/DB00173,
DBoRL2261,2-Aminopurine,9H-purin-2-amine,NC1=NC2=C(C=N1)N=CN2,"InChI=1S/C5H5N5/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H3,6,7,8,9,10)",MWBWWFOAEOYUST-UHFFFAOYSA-N,C5H5N5,"452-06-2,191236-69-8,849611-62-7",135.13,-0.446684238,2,4,0,2,mutant xpt-pbuX guanine riboswitch aptamer from B. subtilis (GR(C74U)),Will be updated soon.,16650860,,,,,,"Gilbert SD, Stoddard CD, Wise SJ, Batey RT. Thermodynamic and kinetic characterization of ligand binding to the purine riboswitch aptamer domain. J Mol Biol. 2006 Jun 9;359(3):754-68. doi: 10.1016/j.jmb.2006.04.003. Epub 2006 Apr 21. Erratum in: J Mol Biol. 2006 Oct 20;363(2):624. PMID: 16650860.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16650860/,,,,,,9955,No,No,,,,
DBoRL2262,Hypoxanthine,"6,9-dihydro-1H-purin-6-one",O=C1NC=NC2=C1N=CN2,"InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)",FDGQSTZJBFJUBT-UHFFFAOYSA-N,C5H4N4O,"68-94-0,146469-94-5,146469-95-6,146445-70-7,51953-04-9,95121-06-5,1246820-04-1",136.114,-0.918586895,2,3,0,2,xpt-pbuX guanine riboswitch aptamer from B. subtilis,Will be updated soon.,16650860,,,,,,"Gilbert SD, Stoddard CD, Wise SJ, Batey RT. Thermodynamic and kinetic characterization of ligand binding to the purine riboswitch aptamer domain. J Mol Biol. 2006 Jun 9;359(3):754-68. doi: 10.1016/j.jmb.2006.04.003. Epub 2006 Apr 21. Erratum in: J Mol Biol. 2006 Oct 20;363(2):624. PMID: 16650860.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16650860/,,,,,,790,Yes,No,Experimental,DB04076,https://go.drugbank.com/drugs/DB04076,
DBoRL2263,Deoxyguanosine,"2-amino-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one",NC1=NC2=C(N=CN2C2CC(O)C(CO)O2)C(=O)N1,"InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)",YKBGVTZYEHREMT-UHFFFAOYNA-N,C10H13N5O4,Not Found,267.245,-1.805580133,4,7,2,3,Wild-type G-box B. subtilis xpt?pbuX,Will be updated soon.,19007790,,,,,,"Edwards AL, Batey RT. A structural basis for the recognition of 2'-deoxyguanosine by the purine riboswitch. J Mol Biol. 2009 Jan 23;385(3):938-48. doi: 10.1016/j.jmb.2008.10.074. Epub 2008 Nov 5. PMID: 19007790; PMCID: PMC2997738.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19007790/,,,,,,135402018,No,No,,,,
DBoRL2264,Deoxyguanosine,"2-amino-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one",NC1=NC2=C(N=CN2C2CC(O)C(CO)O2)C(=O)N1,"InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)",YKBGVTZYEHREMT-UHFFFAOYNA-N,C10H13N5O4,Not Found,267.245,-1.805580133,4,7,2,3,mutant Bacillus subtilis xpt?pbuX guanine riboswitch aptamer (GdG-1),Will be updated soon.,19007790,,,,,,"Edwards AL, Batey RT. A structural basis for the recognition of 2'-deoxyguanosine by the purine riboswitch. J Mol Biol. 2009 Jan 23;385(3):938-48. doi: 10.1016/j.jmb.2008.10.074. Epub 2008 Nov 5. PMID: 19007790; PMCID: PMC2997738.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19007790/,,,,,,135402018,No,No,,,,
DBoRL2265,Deoxyguanosine,"2-amino-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one",NC1=NC2=C(N=CN2C2CC(O)C(CO)O2)C(=O)N1,"InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)",YKBGVTZYEHREMT-UHFFFAOYNA-N,C10H13N5O4,Not Found,267.245,-1.805580133,4,7,2,3,mutant Bacillus subtilis xpt?pbuX guanine riboswitch aptamer (GdG-2),Will be updated soon.,19007790,,,,,,"Edwards AL, Batey RT. A structural basis for the recognition of 2'-deoxyguanosine by the purine riboswitch. J Mol Biol. 2009 Jan 23;385(3):938-48. doi: 10.1016/j.jmb.2008.10.074. Epub 2008 Nov 5. PMID: 19007790; PMCID: PMC2997738.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19007790/,,,,,,135402018,No,No,,,,
DBoRL2266,Deoxyguanosine,"2-amino-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one",NC1=NC2=C(N=CN2C2CC(O)C(CO)O2)C(=O)N1,"InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)",YKBGVTZYEHREMT-UHFFFAOYNA-N,C10H13N5O4,Not Found,267.245,-1.805580133,4,7,2,3,mutant Bacillus subtilis xpt?pbuX guanine riboswitch aptamer (GdG-3),Will be updated soon.,19007790,,,,,,"Edwards AL, Batey RT. A structural basis for the recognition of 2'-deoxyguanosine by the purine riboswitch. J Mol Biol. 2009 Jan 23;385(3):938-48. doi: 10.1016/j.jmb.2008.10.074. Epub 2008 Nov 5. PMID: 19007790; PMCID: PMC2997738.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19007790/,,,,,,135402018,No,No,,,,
DBoRL2267,Deoxyguanosine,"2-amino-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one",NC1=NC2=C(N=CN2C2CC(O)C(CO)O2)C(=O)N1,"InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)",YKBGVTZYEHREMT-UHFFFAOYNA-N,C10H13N5O4,Not Found,267.245,-1.805580133,4,7,2,3,mutant Bacillus subtilis xpt?pbuX guanine riboswitch aptamer (GdG-4),Will be updated soon.,19007790,,,,,,"Edwards AL, Batey RT. A structural basis for the recognition of 2'-deoxyguanosine by the purine riboswitch. J Mol Biol. 2009 Jan 23;385(3):938-48. doi: 10.1016/j.jmb.2008.10.074. Epub 2008 Nov 5. PMID: 19007790; PMCID: PMC2997738.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19007790/,,,,,,135402018,No,No,,,,
DBoRL2268,Deoxyguanosine,"2-amino-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one",NC1=NC2=C(N=CN2C2CC(O)C(CO)O2)C(=O)N1,"InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)",YKBGVTZYEHREMT-UHFFFAOYNA-N,C10H13N5O4,Not Found,267.245,-1.805580133,4,7,2,3,mutant Bacillus subtilis xpt?pbuX guanine riboswitch aptamer (GdG-5A),Will be updated soon.,19007790,,,,,,"Edwards AL, Batey RT. A structural basis for the recognition of 2'-deoxyguanosine by the purine riboswitch. J Mol Biol. 2009 Jan 23;385(3):938-48. doi: 10.1016/j.jmb.2008.10.074. Epub 2008 Nov 5. PMID: 19007790; PMCID: PMC2997738.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19007790/,,,,,,135402018,No,No,,,,
DBoRL2269,Deoxyguanosine,"2-amino-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one",NC1=NC2=C(N=CN2C2CC(O)C(CO)O2)C(=O)N1,"InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)",YKBGVTZYEHREMT-UHFFFAOYNA-N,C10H13N5O4,Not Found,267.245,-1.805580133,4,7,2,3,mutant Bacillus subtilis xpt?pbuX guanine riboswitch aptamer (GdG-5B),Will be updated soon.,19007790,,,,,,"Edwards AL, Batey RT. A structural basis for the recognition of 2'-deoxyguanosine by the purine riboswitch. J Mol Biol. 2009 Jan 23;385(3):938-48. doi: 10.1016/j.jmb.2008.10.074. Epub 2008 Nov 5. PMID: 19007790; PMCID: PMC2997738.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19007790/,,,,,,135402018,No,No,,,,
DBoRL2270,Deoxyguanosine,"2-amino-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one",NC1=NC2=C(N=CN2C2CC(O)C(CO)O2)C(=O)N1,"InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)",YKBGVTZYEHREMT-UHFFFAOYNA-N,C10H13N5O4,Not Found,267.245,-1.805580133,4,7,2,3,mutant Bacillus subtilis xpt?pbuX guanine riboswitch aptamer (GdG-6),Will be updated soon.,19007790,,,,,,"Edwards AL, Batey RT. A structural basis for the recognition of 2'-deoxyguanosine by the purine riboswitch. J Mol Biol. 2009 Jan 23;385(3):938-48. doi: 10.1016/j.jmb.2008.10.074. Epub 2008 Nov 5. PMID: 19007790; PMCID: PMC2997738.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19007790/,,,,,,135402018,No,No,,,,
DBoRL2271,Deoxyguanosine,"2-amino-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one",NC1=NC2=C(N=CN2C2CC(O)C(CO)O2)C(=O)N1,"InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)",YKBGVTZYEHREMT-UHFFFAOYNA-N,C10H13N5O4,Not Found,267.245,-1.805580133,4,7,2,3,Wild-type dG-box M. flor?M I-A aptamer,Will be updated soon.,19007790,,,,,,"Edwards AL, Batey RT. A structural basis for the recognition of 2'-deoxyguanosine by the purine riboswitch. J Mol Biol. 2009 Jan 23;385(3):938-48. doi: 10.1016/j.jmb.2008.10.074. Epub 2008 Nov 5. PMID: 19007790; PMCID: PMC2997738.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19007790/,,,,,,135402018,No,No,,,,
DBoRL2272,Deoxyguanosine,"2-amino-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one",NC1=NC2=C(N=CN2C2CC(O)C(CO)O2)C(=O)N1,"InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)",YKBGVTZYEHREMT-UHFFFAOYNA-N,C10H13N5O4,Not Found,267.245,-1.805580133,4,7,2,3,dGG-1 aptamer,Will be updated soon.,19007790,,,,,,"Edwards AL, Batey RT. A structural basis for the recognition of 2'-deoxyguanosine by the purine riboswitch. J Mol Biol. 2009 Jan 23;385(3):938-48. doi: 10.1016/j.jmb.2008.10.074. Epub 2008 Nov 5. PMID: 19007790; PMCID: PMC2997738.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19007790/,,,,,,135402018,No,No,,,,
DBoRL2273,Deoxyguanosine,"2-amino-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one",NC1=NC2=C(N=CN2C2CC(O)C(CO)O2)C(=O)N1,"InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)",YKBGVTZYEHREMT-UHFFFAOYNA-N,C10H13N5O4,Not Found,267.245,-1.805580133,4,7,2,3,dGG-2 aptamer,Will be updated soon.,19007790,,,,,,"Edwards AL, Batey RT. A structural basis for the recognition of 2'-deoxyguanosine by the purine riboswitch. J Mol Biol. 2009 Jan 23;385(3):938-48. doi: 10.1016/j.jmb.2008.10.074. Epub 2008 Nov 5. PMID: 19007790; PMCID: PMC2997738.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19007790/,,,,,,135402018,No,No,,,,
DBoRL2274,Guanine,"2-amino-6,9-dihydro-1H-purin-6-one",NC1=NC2=C(N=CN2)C(=O)N1,"InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",UYTPUPDQBNUYGX-UHFFFAOYSA-N,C5H5N5O,"73-40-5,66224-61-1,66224-63-3,66224-64-4,71660-31-6,71660-36-1",151.129,-1.146267054,3,4,0,2,mutant Bacillus subtilis xpt?pbuX guanine riboswitch aptamer (GdG-1),Will be updated soon.,19007790,,,,,,"Edwards AL, Batey RT. A structural basis for the recognition of 2'-deoxyguanosine by the purine riboswitch. J Mol Biol. 2009 Jan 23;385(3):938-48. doi: 10.1016/j.jmb.2008.10.074. Epub 2008 Nov 5. PMID: 19007790; PMCID: PMC2997738.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19007790/,,,,,,135398634,Yes,No,Experimental,DB02377,https://go.drugbank.com/drugs/DB02377,
DBoRL2275,Guanine,"2-amino-6,9-dihydro-1H-purin-6-one",NC1=NC2=C(N=CN2)C(=O)N1,"InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",UYTPUPDQBNUYGX-UHFFFAOYSA-N,C5H5N5O,"73-40-5,66224-61-1,66224-63-3,66224-64-4,71660-31-6,71660-36-1",151.129,-1.146267054,3,4,0,2,mutant Bacillus subtilis xpt?pbuX guanine riboswitch aptamer (GdG-2),Will be updated soon.,19007790,,,,,,"Edwards AL, Batey RT. A structural basis for the recognition of 2'-deoxyguanosine by the purine riboswitch. J Mol Biol. 2009 Jan 23;385(3):938-48. doi: 10.1016/j.jmb.2008.10.074. Epub 2008 Nov 5. PMID: 19007790; PMCID: PMC2997738.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19007790/,,,,,,135398634,Yes,No,Experimental,DB02377,https://go.drugbank.com/drugs/DB02377,
DBoRL2276,Guanine,"2-amino-6,9-dihydro-1H-purin-6-one",NC1=NC2=C(N=CN2)C(=O)N1,"InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",UYTPUPDQBNUYGX-UHFFFAOYSA-N,C5H5N5O,"73-40-5,66224-61-1,66224-63-3,66224-64-4,71660-31-6,71660-36-1",151.129,-1.146267054,3,4,0,2,mutant Bacillus subtilis xpt?pbuX guanine riboswitch aptamer (GdG-3),Will be updated soon.,19007790,,,,,,"Edwards AL, Batey RT. A structural basis for the recognition of 2'-deoxyguanosine by the purine riboswitch. J Mol Biol. 2009 Jan 23;385(3):938-48. doi: 10.1016/j.jmb.2008.10.074. Epub 2008 Nov 5. PMID: 19007790; PMCID: PMC2997738.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19007790/,,,,,,135398634,Yes,No,Experimental,DB02377,https://go.drugbank.com/drugs/DB02377,
DBoRL2277,Guanine,"2-amino-6,9-dihydro-1H-purin-6-one",NC1=NC2=C(N=CN2)C(=O)N1,"InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",UYTPUPDQBNUYGX-UHFFFAOYSA-N,C5H5N5O,"73-40-5,66224-61-1,66224-63-3,66224-64-4,71660-31-6,71660-36-1",151.129,-1.146267054,3,4,0,2,mutant Bacillus subtilis xpt?pbuX guanine riboswitch aptamer (GdG-4),Will be updated soon.,19007790,,,,,,"Edwards AL, Batey RT. A structural basis for the recognition of 2'-deoxyguanosine by the purine riboswitch. J Mol Biol. 2009 Jan 23;385(3):938-48. doi: 10.1016/j.jmb.2008.10.074. Epub 2008 Nov 5. PMID: 19007790; PMCID: PMC2997738.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19007790/,,,,,,135398634,Yes,No,Experimental,DB02377,https://go.drugbank.com/drugs/DB02377,
DBoRL2278,Guanine,"2-amino-6,9-dihydro-1H-purin-6-one",NC1=NC2=C(N=CN2)C(=O)N1,"InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",UYTPUPDQBNUYGX-UHFFFAOYSA-N,C5H5N5O,"73-40-5,66224-61-1,66224-63-3,66224-64-4,71660-31-6,71660-36-1",151.129,-1.146267054,3,4,0,2,mutant Bacillus subtilis xpt?pbuX guanine riboswitch aptamer (GdG-5A),Will be updated soon.,19007790,,,,,,"Edwards AL, Batey RT. A structural basis for the recognition of 2'-deoxyguanosine by the purine riboswitch. J Mol Biol. 2009 Jan 23;385(3):938-48. doi: 10.1016/j.jmb.2008.10.074. Epub 2008 Nov 5. PMID: 19007790; PMCID: PMC2997738.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19007790/,,,,,,135398634,Yes,No,Experimental,DB02377,https://go.drugbank.com/drugs/DB02377,
DBoRL2279,Guanine,"2-amino-6,9-dihydro-1H-purin-6-one",NC1=NC2=C(N=CN2)C(=O)N1,"InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",UYTPUPDQBNUYGX-UHFFFAOYSA-N,C5H5N5O,"73-40-5,66224-61-1,66224-63-3,66224-64-4,71660-31-6,71660-36-1",151.129,-1.146267054,3,4,0,2,mutant Bacillus subtilis xpt?pbuX guanine riboswitch aptamer (GdG-5B),Will be updated soon.,19007790,,,,,,"Edwards AL, Batey RT. A structural basis for the recognition of 2'-deoxyguanosine by the purine riboswitch. J Mol Biol. 2009 Jan 23;385(3):938-48. doi: 10.1016/j.jmb.2008.10.074. Epub 2008 Nov 5. PMID: 19007790; PMCID: PMC2997738.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19007790/,,,,,,135398634,Yes,No,Experimental,DB02377,https://go.drugbank.com/drugs/DB02377,
DBoRL2280,Guanine,"2-amino-6,9-dihydro-1H-purin-6-one",NC1=NC2=C(N=CN2)C(=O)N1,"InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",UYTPUPDQBNUYGX-UHFFFAOYSA-N,C5H5N5O,"73-40-5,66224-61-1,66224-63-3,66224-64-4,71660-31-6,71660-36-1",151.129,-1.146267054,3,4,0,2,mutant Bacillus subtilis xpt?pbuX guanine riboswitch aptamer (GdG-6),Will be updated soon.,19007790,,,,,,"Edwards AL, Batey RT. A structural basis for the recognition of 2'-deoxyguanosine by the purine riboswitch. J Mol Biol. 2009 Jan 23;385(3):938-48. doi: 10.1016/j.jmb.2008.10.074. Epub 2008 Nov 5. PMID: 19007790; PMCID: PMC2997738.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19007790/,,,,,,135398634,Yes,No,Experimental,DB02377,https://go.drugbank.com/drugs/DB02377,
DBoRL2281,Guanine,"2-amino-6,9-dihydro-1H-purin-6-one",NC1=NC2=C(N=CN2)C(=O)N1,"InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",UYTPUPDQBNUYGX-UHFFFAOYSA-N,C5H5N5O,"73-40-5,66224-61-1,66224-63-3,66224-64-4,71660-31-6,71660-36-1",151.129,-1.146267054,3,4,0,2,Wild-type dG-box M. flor?M I-A aptamer,Will be updated soon.,19007790,,,,,,"Edwards AL, Batey RT. A structural basis for the recognition of 2'-deoxyguanosine by the purine riboswitch. J Mol Biol. 2009 Jan 23;385(3):938-48. doi: 10.1016/j.jmb.2008.10.074. Epub 2008 Nov 5. PMID: 19007790; PMCID: PMC2997738.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19007790/,,,,,,135398634,Yes,No,Experimental,DB02377,https://go.drugbank.com/drugs/DB02377,
DBoRL2282,Guanine,"2-amino-6,9-dihydro-1H-purin-6-one",NC1=NC2=C(N=CN2)C(=O)N1,"InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",UYTPUPDQBNUYGX-UHFFFAOYSA-N,C5H5N5O,"73-40-5,66224-61-1,66224-63-3,66224-64-4,71660-31-6,71660-36-1",151.129,-1.146267054,3,4,0,2,dGG-1 aptamer,Will be updated soon.,19007790,,,,,,"Edwards AL, Batey RT. A structural basis for the recognition of 2'-deoxyguanosine by the purine riboswitch. J Mol Biol. 2009 Jan 23;385(3):938-48. doi: 10.1016/j.jmb.2008.10.074. Epub 2008 Nov 5. PMID: 19007790; PMCID: PMC2997738.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19007790/,,,,,,135398634,Yes,No,Experimental,DB02377,https://go.drugbank.com/drugs/DB02377,
DBoRL2283,Guanine,"2-amino-6,9-dihydro-1H-purin-6-one",NC1=NC2=C(N=CN2)C(=O)N1,"InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",UYTPUPDQBNUYGX-UHFFFAOYSA-N,C5H5N5O,"73-40-5,66224-61-1,66224-63-3,66224-64-4,71660-31-6,71660-36-1",151.129,-1.146267054,3,4,0,2,dGG-2 aptamer,Will be updated soon.,19007790,,,,,,"Edwards AL, Batey RT. A structural basis for the recognition of 2'-deoxyguanosine by the purine riboswitch. J Mol Biol. 2009 Jan 23;385(3):938-48. doi: 10.1016/j.jmb.2008.10.074. Epub 2008 Nov 5. PMID: 19007790; PMCID: PMC2997738.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19007790/,,,,,,135398634,Yes,No,Experimental,DB02377,https://go.drugbank.com/drugs/DB02377,
DBoRL2284,L-Lysine,"2,6-diaminohexanoic acid",NCCCCC(N)C(O)=O,"InChI=1/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)",KDXKERNSBIXSRK-UHFFFAOYNA-N,C6H14N2O2,Not Found,146.19,-3.214534721,3,4,5,0,B. subtilis L-lysine aptamer 179 lysC RNAs,Will be updated soon.,14597663,,,,,,"Sudarsan N, Wickiser JK, Nakamura S, Ebert MS, Breaker RR. An mRNA structure in bacteria that controls gene expression by binding lysine. Genes Dev. 2003 Nov 1;17(21):2688-97. doi: 10.1101/gad.1140003. PMID: 14597663; PMCID: PMC280618.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14597663/,,,,,,866,Yes,Yes,Nutraceutical,DB00123,https://go.drugbank.com/drugs/DB00123,
DBoRL2285,Thiamine Pyrophosphate (TPP),"3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium",CC1=C(CCOP(O)(=O)OP(O)(O)=O)SC=[N+]1CC1=CN=C(C)N=C1N,"InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1",AYEKOFBPNLCAJY-UHFFFAOYSA-O,C12H19N4O7P2S,136-08-3,425.31,-5.921057522,4,8,8,2,E. coli thiM riboswitch ( RNA domain) aptamer,Will be updated soon.,19948769,,,,,,"Kulshina N, Edwards TE, Ferr?-D'Amar? AR. Thermodynamic analysis of ligand binding and ligand binding-induced tertiary structure formation by the thiamine pyrophosphate riboswitch. RNA. 2010 Jan;16(1):186-96. doi: 10.1261/rna.1847310. Epub 2009 Nov 30. PMID: 19948769; PMCID: PMC2802028.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19948769/,,,,,,1132,Yes,Yes,Experimental,DB01987,https://go.drugbank.com/drugs/DB01987,
DBoRL2286,TMP,"3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium",CC1=C(CCOP(O)(O)=O)SC=[N+]1CC1=CN=C(C)N=C1N,"InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)/p+1",HZSAJDVWZRBGIF-UHFFFAOYSA-O,C12H18N4O4PS,10023-48-0,345.33,-5.892503837,3,6,6,2,E. coli thiM riboswitch ( RNA domain) aptamer,Will be updated soon.,19948769,,,,,,"Kulshina N, Edwards TE, Ferr?-D'Amar? AR. Thermodynamic analysis of ligand binding and ligand binding-induced tertiary structure formation by the thiamine pyrophosphate riboswitch. RNA. 2010 Jan;16(1):186-96. doi: 10.1261/rna.1847310. Epub 2009 Nov 30. PMID: 19948769; PMCID: PMC2802028.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19948769/,,,,,,1131,Yes,No,Experimental,DB03416,https://go.drugbank.com/drugs/DB03416,
DBoRL2287,TPP,"3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium",CC1=C(CCOP(O)(=O)OP(O)(O)=O)SC=[N+]1CC1=CN=C(C)N=C1N,"InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1",AYEKOFBPNLCAJY-UHFFFAOYSA-O,C12H19N4O7P2S,136-08-3,425.31,-5.921057522,4,8,8,2,E. coli thiM riboswitch mutant A69C aptamer,Will be updated soon.,19948769,,,,,,"Kulshina N, Edwards TE, Ferr?-D'Amar? AR. Thermodynamic analysis of ligand binding and ligand binding-induced tertiary structure formation by the thiamine pyrophosphate riboswitch. RNA. 2010 Jan;16(1):186-96. doi: 10.1261/rna.1847310. Epub 2009 Nov 30. PMID: 19948769; PMCID: PMC2802028.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19948769/,,,,,,1132,Yes,Yes,Experimental,DB01987,https://go.drugbank.com/drugs/DB01987,
DBoRL2288,TPP,"3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium",CC1=C(CCOP(O)(=O)OP(O)(O)=O)SC=[N+]1CC1=CN=C(C)N=C1N,"InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1",AYEKOFBPNLCAJY-UHFFFAOYSA-O,C12H19N4O7P2S,136-08-3,425.31,-5.921057522,4,8,8,2,E. coli thiM riboswitch mutant A69U aptamer,Will be updated soon.,19948769,,,,,,"Kulshina N, Edwards TE, Ferr?-D'Amar? AR. Thermodynamic analysis of ligand binding and ligand binding-induced tertiary structure formation by the thiamine pyrophosphate riboswitch. RNA. 2010 Jan;16(1):186-96. doi: 10.1261/rna.1847310. Epub 2009 Nov 30. PMID: 19948769; PMCID: PMC2802028.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19948769/,,,,,,1132,Yes,Yes,Experimental,DB01987,https://go.drugbank.com/drugs/DB01987,
DBoRL2289,TPP,"3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium",CC1=C(CCOP(O)(=O)OP(O)(O)=O)SC=[N+]1CC1=CN=C(C)N=C1N,"InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1",AYEKOFBPNLCAJY-UHFFFAOYSA-O,C12H19N4O7P2S,136-08-3,425.31,-5.921057522,4,8,8,2,E. coli thiM riboswitch mutant A70G aptamer,Will be updated soon.,19948769,,,,,,"Kulshina N, Edwards TE, Ferr?-D'Amar? AR. Thermodynamic analysis of ligand binding and ligand binding-induced tertiary structure formation by the thiamine pyrophosphate riboswitch. RNA. 2010 Jan;16(1):186-96. doi: 10.1261/rna.1847310. Epub 2009 Nov 30. PMID: 19948769; PMCID: PMC2802028.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19948769/,,,,,,1132,Yes,Yes,Experimental,DB01987,https://go.drugbank.com/drugs/DB01987,
DBoRL2290,c-di-GMP,"8,17-bis(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",NC1=NC2=C(N=CN2C2OC3COP(O)(=O)OC4C(COP(O)(=O)OC3C2O)OC(C4O)N2C=NC3=C2N=C(N)NC3=O)C(=O)N1,"InChI=1/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)",PKFDLKSEZWEFGL-UHFFFAOYNA-N,C20H24N10O14P2,Not Found,690.416,-3.993021518,8,16,2,7,class I c-di-GMP riboswitch RNA aptamer Vc2,Will be updated soon.,23559271,,,,,,"Luo Y, Zhou J, Wang J, Dayie TK, Sintim HO. Selective binding of 2'-F-c-di-GMP to Ct-E88 and Cb-E43, new class I riboswitches from Clostridium tetani and Clostridium botulinum respectively. Mol Biosyst. 2013 Jun;9(6):1535-9. doi: 10.1039/c3mb25560c. Epub 2013 Apr 5. PMID: 23559271.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23559271/,,,,,,137221491,No,No,,,,
DBoRL2291,2'-F-c-di-GMP,"8,17-bis(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-9,18-difluoro-3,12-dihydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",NC1=NC2=C(N=CN2C2OC3COP(O)(=O)OC4C(COP(O)(=O)OC3C2F)OC(C4F)N2C=NC3=C2N=C(N)NC3=O)C(=O)N1,"InChI=1/C20H22F2N10O12P2/c21-7-11-5(41-17(7)31-3-25-9-13(31)27-19(23)29-15(9)33)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(8(12)22)32-4-26-10-14(32)28-20(24)30-16(10)34/h3-8,11-12,17-18H,1-2H2,(H,35,36)(H,37,38)(H3,23,27,29,33)(H3,24,28,30,34)",RKBIDRCIXOIYKC-UHFFFAOYNA-N,C20H22F2N10O12P2,Not Found,694.398,-2.396516972,6,14,2,7,class I c-di-GMP riboswitch RNA aptamer Vc2,Will be updated soon.,23559271,,,,,,"Luo Y, Zhou J, Wang J, Dayie TK, Sintim HO. Selective binding of 2'-F-c-di-GMP to Ct-E88 and Cb-E43, new class I riboswitches from Clostridium tetani and Clostridium botulinum respectively. Mol Biosyst. 2013 Jun;9(6):1535-9. doi: 10.1039/c3mb25560c. Epub 2013 Apr 5. PMID: 23559271.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23559271/,,,,,,137140003,No,No,,,,
DBoRL2292,2'-H-c-di-GMP,"8,17-bis(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,12-dihydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",[H]C1C(OC2COP(O)(=O)OC3C([H])C(OC3COP(O)(=O)OC12)N1C=NC2=C1N=C(N)NC2=O)N1C=NC2=C1N=C(N)NC2=O,"InChI=1/C20H24N10O12P2/c21-19-25-15-13(17(31)27-19)23-5-29(15)11-1-7-9(39-11)3-37-44(35,36)42-8-2-12(40-10(8)4-38-43(33,34)41-7)30-6-24-14-16(30)26-20(22)28-18(14)32/h5-12H,1-4H2,(H,33,34)(H,35,36)(H3,21,25,27,31)(H3,22,26,28,32)",AUNAGJOXGMZWKZ-UHFFFAOYNA-N,C20H24N10O12P2,Not Found,658.418,-2.379787431,6,14,2,7,class I c-di-GMP riboswitch RNA aptamer Vc2,Will be updated soon.,23559271,,,,,,"Luo Y, Zhou J, Wang J, Dayie TK, Sintim HO. Selective binding of 2'-F-c-di-GMP to Ct-E88 and Cb-E43, new class I riboswitches from Clostridium tetani and Clostridium botulinum respectively. Mol Biosyst. 2013 Jun;9(6):1535-9. doi: 10.1039/c3mb25560c. Epub 2013 Apr 5. PMID: 23559271.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23559271/,,,,,,Not Found,No,No,,,,
DBoRL2293,c-di-GMP,"8,17-bis(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",NC1=NC2=C(N=CN2C2OC3COP(O)(=O)OC4C(COP(O)(=O)OC3C2O)OC(C4O)N2C=NC3=C2N=C(N)NC3=O)C(=O)N1,"InChI=1/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)",PKFDLKSEZWEFGL-UHFFFAOYNA-N,C20H24N10O14P2,Not Found,690.416,-3.993021518,8,16,2,7,class I c-di-GMP riboswitch RNA aptamer Ct-E88,Will be updated soon.,23559271,,,,,,"Luo Y, Zhou J, Wang J, Dayie TK, Sintim HO. Selective binding of 2'-F-c-di-GMP to Ct-E88 and Cb-E43, new class I riboswitches from Clostridium tetani and Clostridium botulinum respectively. Mol Biosyst. 2013 Jun;9(6):1535-9. doi: 10.1039/c3mb25560c. Epub 2013 Apr 5. PMID: 23559271.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23559271/,,,,,,137221491,No,No,,,,
DBoRL2294,2'-F-c-di-GMP,"8,17-bis(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-9,18-difluoro-3,12-dihydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",NC1=NC2=C(N=CN2C2OC3COP(O)(=O)OC4C(COP(O)(=O)OC3C2F)OC(C4F)N2C=NC3=C2N=C(N)NC3=O)C(=O)N1,"InChI=1/C20H22F2N10O12P2/c21-7-11-5(41-17(7)31-3-25-9-13(31)27-19(23)29-15(9)33)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(8(12)22)32-4-26-10-14(32)28-20(24)30-16(10)34/h3-8,11-12,17-18H,1-2H2,(H,35,36)(H,37,38)(H3,23,27,29,33)(H3,24,28,30,34)",RKBIDRCIXOIYKC-UHFFFAOYNA-N,C20H22F2N10O12P2,Not Found,694.398,-2.396516972,6,14,2,7,class I c-di-GMP riboswitch RNA aptamer Ct-E88,Will be updated soon.,23559271,,,,,,"Luo Y, Zhou J, Wang J, Dayie TK, Sintim HO. Selective binding of 2'-F-c-di-GMP to Ct-E88 and Cb-E43, new class I riboswitches from Clostridium tetani and Clostridium botulinum respectively. Mol Biosyst. 2013 Jun;9(6):1535-9. doi: 10.1039/c3mb25560c. Epub 2013 Apr 5. PMID: 23559271.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23559271/,,,,,,137140003,No,No,,,,
DBoRL2295,2'-H-c-di-GMP,"8,17-bis(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,12-dihydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",[H]C1C(OC2COP(O)(=O)OC3C([H])C(OC3COP(O)(=O)OC12)N1C=NC2=C1N=C(N)NC2=O)N1C=NC2=C1N=C(N)NC2=O,"InChI=1/C20H24N10O12P2/c21-19-25-15-13(17(31)27-19)23-5-29(15)11-1-7-9(39-11)3-37-44(35,36)42-8-2-12(40-10(8)4-38-43(33,34)41-7)30-6-24-14-16(30)26-20(22)28-18(14)32/h5-12H,1-4H2,(H,33,34)(H,35,36)(H3,21,25,27,31)(H3,22,26,28,32)",AUNAGJOXGMZWKZ-UHFFFAOYNA-N,C20H24N10O12P2,Not Found,658.418,-2.379787431,6,14,2,7,class I c-di-GMP riboswitch RNA aptamer Ct-E88,Will be updated soon.,23559271,,,,,,"Luo Y, Zhou J, Wang J, Dayie TK, Sintim HO. Selective binding of 2'-F-c-di-GMP to Ct-E88 and Cb-E43, new class I riboswitches from Clostridium tetani and Clostridium botulinum respectively. Mol Biosyst. 2013 Jun;9(6):1535-9. doi: 10.1039/c3mb25560c. Epub 2013 Apr 5. PMID: 23559271.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23559271/,,,,,,Not Found,No,No,,,,
DBoRL2296,c-di-GMP,"8,17-bis(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",NC1=NC2=C(N=CN2C2OC3COP(O)(=O)OC4C(COP(O)(=O)OC3C2O)OC(C4O)N2C=NC3=C2N=C(N)NC3=O)C(=O)N1,"InChI=1/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)",PKFDLKSEZWEFGL-UHFFFAOYNA-N,C20H24N10O14P2,Not Found,690.416,-3.993021518,8,16,2,7,class I c-di-GMP riboswitch RNA aptamer Cb-E43,Will be updated soon.,23559271,,,,,,"Luo Y, Zhou J, Wang J, Dayie TK, Sintim HO. Selective binding of 2'-F-c-di-GMP to Ct-E88 and Cb-E43, new class I riboswitches from Clostridium tetani and Clostridium botulinum respectively. Mol Biosyst. 2013 Jun;9(6):1535-9. doi: 10.1039/c3mb25560c. Epub 2013 Apr 5. PMID: 23559271.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23559271/,,,,,,137221491,No,No,,,,
DBoRL2297,2'-F-c-di-GMP,"8,17-bis(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-9,18-difluoro-3,12-dihydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",NC1=NC2=C(N=CN2C2OC3COP(O)(=O)OC4C(COP(O)(=O)OC3C2F)OC(C4F)N2C=NC3=C2N=C(N)NC3=O)C(=O)N1,"InChI=1/C20H22F2N10O12P2/c21-7-11-5(41-17(7)31-3-25-9-13(31)27-19(23)29-15(9)33)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(8(12)22)32-4-26-10-14(32)28-20(24)30-16(10)34/h3-8,11-12,17-18H,1-2H2,(H,35,36)(H,37,38)(H3,23,27,29,33)(H3,24,28,30,34)",RKBIDRCIXOIYKC-UHFFFAOYNA-N,C20H22F2N10O12P2,Not Found,694.398,-2.396516972,6,14,2,7,class I c-di-GMP riboswitch RNA aptamer Cb-E43,Will be updated soon.,23559271,,,,,,"Luo Y, Zhou J, Wang J, Dayie TK, Sintim HO. Selective binding of 2'-F-c-di-GMP to Ct-E88 and Cb-E43, new class I riboswitches from Clostridium tetani and Clostridium botulinum respectively. Mol Biosyst. 2013 Jun;9(6):1535-9. doi: 10.1039/c3mb25560c. Epub 2013 Apr 5. PMID: 23559271.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23559271/,,,,,,137140003,No,No,,,,
DBoRL2298,2'-H-c-di-GMP,"8,17-bis(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,12-dihydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",[H]C1C(OC2COP(O)(=O)OC3C([H])C(OC3COP(O)(=O)OC12)N1C=NC2=C1N=C(N)NC2=O)N1C=NC2=C1N=C(N)NC2=O,"InChI=1/C20H24N10O12P2/c21-19-25-15-13(17(31)27-19)23-5-29(15)11-1-7-9(39-11)3-37-44(35,36)42-8-2-12(40-10(8)4-38-43(33,34)41-7)30-6-24-14-16(30)26-20(22)28-18(14)32/h5-12H,1-4H2,(H,33,34)(H,35,36)(H3,21,25,27,31)(H3,22,26,28,32)",AUNAGJOXGMZWKZ-UHFFFAOYNA-N,C20H24N10O12P2,Not Found,658.418,-2.379787431,6,14,2,7,class I c-di-GMP riboswitch RNA aptamer Cb-E43,Will be updated soon.,23559271,,,,,,"Luo Y, Zhou J, Wang J, Dayie TK, Sintim HO. Selective binding of 2'-F-c-di-GMP to Ct-E88 and Cb-E43, new class I riboswitches from Clostridium tetani and Clostridium botulinum respectively. Mol Biosyst. 2013 Jun;9(6):1535-9. doi: 10.1039/c3mb25560c. Epub 2013 Apr 5. PMID: 23559271.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23559271/,,,,,,Not Found,No,No,,,,
DBoRL2299,c-di-GMP,"8,17-bis(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",NC1=NC2=C(N=CN2C2OC3COP(O)(=O)OC4C(COP(O)(=O)OC3C2O)OC(C4O)N2C=NC3=C2N=C(N)NC3=O)C(=O)N1,"InChI=1/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)",PKFDLKSEZWEFGL-UHFFFAOYNA-N,C20H24N10O14P2,Not Found,690.416,-3.993021518,8,16,2,7,class I c-di-GMP riboswitch RNA aptamer Cb-17B,Will be updated soon.,23559271,,,,,,"Luo Y, Zhou J, Wang J, Dayie TK, Sintim HO. Selective binding of 2'-F-c-di-GMP to Ct-E88 and Cb-E43, new class I riboswitches from Clostridium tetani and Clostridium botulinum respectively. Mol Biosyst. 2013 Jun;9(6):1535-9. doi: 10.1039/c3mb25560c. Epub 2013 Apr 5. PMID: 23559271.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23559271/,,,,,,137221491,No,No,,,,
DBoRL2300,c-di-GMP,"8,17-bis(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",NC1=NC2=C(N=CN2C2OC3COP(O)(=O)OC4C(COP(O)(=O)OC3C2O)OC(C4O)N2C=NC3=C2N=C(N)NC3=O)C(=O)N1,"InChI=1/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)",PKFDLKSEZWEFGL-UHFFFAOYNA-N,C20H24N10O14P2,Not Found,690.416,-3.993021518,8,16,2,7,class I c-di-GMP riboswitch RNA aptamer Cd-630,Will be updated soon.,23559271,,,,,,"Luo Y, Zhou J, Wang J, Dayie TK, Sintim HO. Selective binding of 2'-F-c-di-GMP to Ct-E88 and Cb-E43, new class I riboswitches from Clostridium tetani and Clostridium botulinum respectively. Mol Biosyst. 2013 Jun;9(6):1535-9. doi: 10.1039/c3mb25560c. Epub 2013 Apr 5. PMID: 23559271.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23559271/,,,,,,137221491,No,No,,,,
DBoRL2301,1 (c-di-GMP),"8,17-bis(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",NC1=NC2=C(N=CN2C2OC3COP(O)(=O)OC4C(COP(O)(=O)OC3C2O)OC(C4O)N2C=NC3=C2N=C(N)NC3=O)C(=O)N1,"InChI=1/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)",PKFDLKSEZWEFGL-UHFFFAOYNA-N,C20H24N10O14P2,Not Found,690.416,-3.993021518,8,16,2,7,Vibrio choleae c-di-GMP-I aptamer Vc2 110 RNA ,Will be updated soon.,19898477,,,,,,"Smith KD, Lipchock SV, Ames TD, Wang J, Breaker RR, Strobel SA. Structural basis of ligand binding by a c-di-GMP riboswitch. Nat Struct Mol Biol. 2009 Dec;16(12):1218-23. doi: 10.1038/nsmb.1702. Epub 2009 Nov 8. PMID: 19898477; PMCID: PMC2850612.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19898477/,,,,,,137221491,No,No,,,,
DBoRL2302,2 (c-dGpGp),"8,17-bis(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,9,12-trihydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",NC1=NC2=C(N=CN2C2CC3OP(O)(=O)OCC4OC(C(O)C4OP(O)(=O)OCC3O2)N2C=NC3=C2N=C(N)NC3=O)C(=O)N1,"InChI=1/C20H24N10O13P2/c21-19-25-14-10(16(32)27-19)23-4-29(14)9-1-6-7(40-9)2-38-45(36,37)43-13-8(3-39-44(34,35)42-6)41-18(12(13)31)30-5-24-11-15(30)26-20(22)28-17(11)33/h4-9,12-13,18,31H,1-3H2,(H,34,35)(H,36,37)(H3,21,25,27,32)(H3,22,26,28,33)",VTFOABNDBKHWCQ-UHFFFAOYNA-N,C20H24N10O13P2,Not Found,674.417,-3.18641126,7,15,2,7,Vibrio choleae c-di-GMP-I aptamer Vc2 110 RNA ,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2303,3 (c-dGpGps),"8,17-bis(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,9,18-trihydroxy-12-sulfanyl-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",NC1=NC2=C(N=CN2C2OC3COP(S)(=O)OC4C(COP(O)(=O)OC3C2O)OC(C4O)N2C=NC3=C2N=C(N)NC3=O)C(=O)N1,"InChI=1/C20H24N10O13P2S/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-6(41-17)2-39-45(37,46)43-12-5(1-38-44(35,36)42-11)40-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,46)(H3,21,25,27,33)(H3,22,26,28,34)",MKDAOQJBHSOXAD-UHFFFAOYNA-N,C20H24N10O13P2S,Not Found,706.48,-3.171792548,8,15,2,7,Vibrio choleae c-di-GMP-I aptamer Vc2 110 RNA ,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2304,4 (c-dGpAp),"8-(6-amino-6,9-dihydro-1H-purin-9-yl)-17-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",NC1NC=NC2=C1N=CN2C1OC2COP(O)(=O)OC3C(COP(O)(=O)OC2C1O)OC(C3O)N1C=NC2=C1N=C(N)NC2=O,"InChI=1/C20H26N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-10(31)12-6(40-18)1-38-45(36,37)43-13-7(2-39-44(34,35)42-12)41-19(11(13)32)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-14,18-19,31-32H,1-2,21H2,(H,23,24)(H,34,35)(H,36,37)(H3,22,27,28,33)",FUSHFWHPGJWEOM-UHFFFAOYNA-N,C20H26N10O13P2,Not Found,676.433,-4.78618342,8,16,2,7,Vibrio choleae c-di-GMP-I aptamer Vc2 110 RNA ,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2305,5 (2'-OTBDMS CDG),"8,17-bis(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-9,18-bis[(tert-butyldimethylsilyl)oxy]-3,12-dihydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",CC(C)(C)[Si](C)(C)OC1C(OC2COP(O)(=O)OC3C(COP(O)(=O)OC12)OC(C3O[Si](C)(C)C(C)(C)C)N1C=NC2=C1N=C(N)NC2=O)N1C=NC2=C1N=C(N)NC2=O,"InChI=1/C32H52N10O14P2Si2/c1-31(2,3)59(7,8)55-21-19-15(51-27(21)41-13-35-17-23(41)37-29(33)39-25(17)43)11-49-58(47,48)54-20-16(12-50-57(45,46)53-19)52-28(22(20)56-60(9,10)32(4,5)6)42-14-36-18-24(42)38-30(34)40-26(18)44/h13-16,19-22,27-28H,11-12H2,1-10H3,(H,45,46)(H,47,48)(H3,33,37,39,43)(H3,34,38,40,44)",IHZOYSYYLFAZTH-UHFFFAOYNA-N,C32H52N10O14P2Si2,Not Found,918.942,0.656862324,6,16,8,7,Vibrio choleae c-di-GMP-I aptamer Vc2 110 RNA ,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2306,1 (c-di-GMP),"8,17-bis(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",NC1=NC2=C(N=CN2C2OC3COP(O)(=O)OC4C(COP(O)(=O)OC3C2O)OC(C4O)N2C=NC3=C2N=C(N)NC3=O)C(=O)N1,"InChI=1/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)",PKFDLKSEZWEFGL-UHFFFAOYNA-N,C20H24N10O14P2,Not Found,690.416,-3.993021518,8,16,2,7,Vibrio choleae c-di-GMP-II aptamer 84 Cd RNA,Will be updated soon.,20705859,,,,,,"Lee ER, Baker JL, Weinberg Z, Sudarsan N, Breaker RR. An allosteric self-splicing ribozyme triggered by a bacterial second messenger. Science. 2010 Aug 13;329(5993):845-848. doi: 10.1126/science.1190713. PMID: 20705859; PMCID: PMC4538695.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20705859/,,,,,,137221491,No,No,,,,
DBoRL2307,2 (c-dGpGp),"8,17-bis(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,9,12-trihydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",NC1=NC2=C(N=CN2C2CC3OP(O)(=O)OCC4OC(C(O)C4OP(O)(=O)OCC3O2)N2C=NC3=C2N=C(N)NC3=O)C(=O)N1,"InChI=1/C20H24N10O13P2/c21-19-25-14-10(16(32)27-19)23-4-29(14)9-1-6-7(40-9)2-38-45(36,37)43-13-8(3-39-44(34,35)42-6)41-18(12(13)31)30-5-24-11-15(30)26-20(22)28-17(11)33/h4-9,12-13,18,31H,1-3H2,(H,34,35)(H,36,37)(H3,21,25,27,32)(H3,22,26,28,33)",VTFOABNDBKHWCQ-UHFFFAOYNA-N,C20H24N10O13P2,Not Found,674.417,-3.18641126,7,15,2,7,Vibrio choleae c-di-GMP-II aptamer 84 Cd RNA,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2308,3 (c-dGpGps),"8,17-bis(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,9,18-trihydroxy-12-sulfanyl-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",NC1=NC2=C(N=CN2C2OC3COP(S)(=O)OC4C(COP(O)(=O)OC3C2O)OC(C4O)N2C=NC3=C2N=C(N)NC3=O)C(=O)N1,"InChI=1/C20H24N10O13P2S/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-6(41-17)2-39-45(37,46)43-12-5(1-38-44(35,36)42-11)40-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,46)(H3,21,25,27,33)(H3,22,26,28,34)",MKDAOQJBHSOXAD-UHFFFAOYNA-N,C20H24N10O13P2S,Not Found,706.48,-3.171792548,8,15,2,7,Vibrio choleae c-di-GMP-II aptamer 84 Cd RNA,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2309,4 (c-dGpAp),"8-(6-amino-6,9-dihydro-1H-purin-9-yl)-17-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",NC1NC=NC2=C1N=CN2C1OC2COP(O)(=O)OC3C(COP(O)(=O)OC2C1O)OC(C3O)N1C=NC2=C1N=C(N)NC2=O,"InChI=1/C20H26N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-10(31)12-6(40-18)1-38-45(36,37)43-13-7(2-39-44(34,35)42-12)41-19(11(13)32)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-14,18-19,31-32H,1-2,21H2,(H,23,24)(H,34,35)(H,36,37)(H3,22,27,28,33)",FUSHFWHPGJWEOM-UHFFFAOYNA-N,C20H26N10O13P2,Not Found,676.433,-4.78618342,8,16,2,7,Vibrio choleae c-di-GMP-II aptamer 84 Cd RNA,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2310,5 (2'-OTBDMS CDG),"8,17-bis(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-9,18-bis[(tert-butyldimethylsilyl)oxy]-3,12-dihydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",CC(C)(C)[Si](C)(C)OC1C(OC2COP(O)(=O)OC3C(COP(O)(=O)OC12)OC(C3O[Si](C)(C)C(C)(C)C)N1C=NC2=C1N=C(N)NC2=O)N1C=NC2=C1N=C(N)NC2=O,"InChI=1/C32H52N10O14P2Si2/c1-31(2,3)59(7,8)55-21-19-15(51-27(21)41-13-35-17-23(41)37-29(33)39-25(17)43)11-49-58(47,48)54-20-16(12-50-57(45,46)53-19)52-28(22(20)56-60(9,10)32(4,5)6)42-14-36-18-24(42)38-30(34)40-26(18)44/h13-16,19-22,27-28H,11-12H2,1-10H3,(H,45,46)(H,47,48)(H3,33,37,39,43)(H3,34,38,40,44)",IHZOYSYYLFAZTH-UHFFFAOYNA-N,C32H52N10O14P2Si2,Not Found,918.942,0.656862324,6,16,8,7,Vibrio choleae c-di-GMP-II aptamer 84 Cd RNA,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2311,Compound 21,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(sulfanyl)phosphoryl)oxy]-4-[(tert-butyldimethylsilyl)oxy]oxolan-2-yl]methyl}phosphonic acid",CC(C)(C)[Si](C)(C)OC1C(OP(S)(=O)OCC2OC(C(O)C2O)N2C=NC3=C2N=C(N)NC3=O)C(CP(O)(O)=O)OC1N1C=NC2=C1N=C(N)NC2=O,"InChI=1/C26H40N10O13P2SSi/c1-26(2,3)53(4,5)49-17-16(11(7-50(41,42)43)47-23(17)36-9-30-13-19(36)32-25(28)34-21(13)40)48-51(44,52)45-6-10-14(37)15(38)22(46-10)35-8-29-12-18(35)31-24(27)33-20(12)39/h8-11,14-17,22-23,37-38H,6-7H2,1-5H3,(H,44,52)(H2,41,42,43)(H3,27,31,33,39)(H3,28,32,34,40)",QVEPHRKKFJQMAB-UHFFFAOYNA-N,C26H40N10O13P2SSi,Not Found,822.76,-2.698053012,9,17,12,6,Vibrio choleae c-di-GMP-I aptamer Vc2 110 RNA,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2312,Compound 22,"5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl [5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfanylphosphonate",COC1C(OP(S)(=O)OCC2OC(C(O)C2O)N2C=NC3=C2N=C(N)NC3=O)C(CO)OC1N1C=NC2=C1N=C(N)NC2=O,"InChI=1/C21H27N10O11PS/c1-38-13-12(6(2-32)40-19(13)31-5-25-9-15(31)27-21(23)29-17(9)36)42-43(37,44)39-3-7-10(33)11(34)18(41-7)30-4-24-8-14(30)26-20(22)28-16(8)35/h4-7,10-13,18-19,32-34H,2-3H2,1H3,(H,37,44)(H3,22,26,28,35)(H3,23,27,29,36)",LVSDDVVGCSYEGS-UHFFFAOYNA-N,C21H27N10O11PS,Not Found,658.54,-3.410788952,8,15,9,6,Vibrio choleae c-di-GMP-I aptamer Vc2 110 RNA,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2313,Compound 23,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(sulfanyl)phosphoryl)oxy]-4-methoxyoxolan-2-yl]methyl}phosphonic acid",COC1C(OP(S)(=O)OCC2OC(C(O)C2O)N2C=NC3=C2N=C(N)NC3=O)C(CP(O)(O)=O)OC1N1C=NC2=C1N=C(N)NC2=O,"InChI=1/C21H28N10O13P2S/c1-40-13-12(7(3-45(36,37)38)43-19(13)31-5-25-9-15(31)27-21(23)29-17(9)35)44-46(39,47)41-2-6-10(32)11(33)18(42-6)30-4-24-8-14(30)26-20(22)28-16(8)34/h4-7,10-13,18-19,32-33H,2-3H2,1H3,(H,39,47)(H2,36,37,38)(H3,22,26,28,34)(H3,23,27,29,35)",VTNSJBQLNDTQFY-UHFFFAOYNA-N,C21H28N10O13P2S,Not Found,722.52,-4.3858902,9,17,10,6,Vibrio choleae c-di-GMP-I aptamer Vc2 110 RNA,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2314,Compound 6,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-4-hydroxyoxolan-2-yl]methyl}phosphonic acid",NC1=NC2=C(N=CN2C2OC(COP(O)(=O)OC3C(CP(O)(O)=O)OC(C3O)N3C=NC4=C3N=C(N)NC4=O)C(O)C2O)C(=O)N1,"InChI=1/C20H26N10O14P2/c21-19-25-13-7(15(34)27-19)23-3-29(13)17-10(32)9(31)5(42-17)1-41-46(39,40)44-12-6(2-45(36,37)38)43-18(11(12)33)30-4-24-8-14(30)26-20(22)28-16(8)35/h3-6,9-12,17-18,31-33H,1-2H2,(H,39,40)(H2,36,37,38)(H3,21,25,27,34)(H3,22,26,28,35)",QCJAHFAJCIYKFH-UHFFFAOYNA-N,C20H26N10O14P2,Not Found,692.432,-5.847831644,10,18,9,6,Vibrio choleae c-di-GMP-II aptamer 84 Cd RNA,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2315,Compound 7,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-4-hydroxyoxolan-2-yl]methyl}phosphonic acid",NC1=NC2=C(N=CN2C2OC(COP(O)(=O)OC3C(CP(O)(O)=O)OC(C3O)N3C=NC4=C3N=C(N)NC4=O)C(O)C2O)C(=O)N1,"InChI=1/C20H26N10O14P2/c21-19-25-13-7(15(34)27-19)23-3-29(13)17-10(32)9(31)5(42-17)1-41-46(39,40)44-12-6(2-45(36,37)38)43-18(11(12)33)30-4-24-8-14(30)26-20(22)28-16(8)35/h3-6,9-12,17-18,31-33H,1-2H2,(H,39,40)(H2,36,37,38)(H3,21,25,27,34)(H3,22,26,28,35)",QCJAHFAJCIYKFH-UHFFFAOYNA-N,C20H26N10O14P2,Not Found,692.432,-5.847831644,10,18,9,6,Vibrio choleae c-di-GMP-II aptamer 84 Cd RNA,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2316,Compound 8,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy}({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid",[H]C1C(OP(O)(=O)OCC2OC(C(O)C2O)N2C=NC3=C2N=C(N)NC3=O)C(CO)OC1N1C=NC2=C1N=C(N)NC2=O,"InChI=1/C20H25N10O11P/c21-19-25-14-10(16(34)27-19)23-4-29(14)9-1-6(7(2-31)39-9)41-42(36,37)38-3-8-12(32)13(33)18(40-8)30-5-24-11-15(30)26-20(22)28-17(11)35/h4-9,12-13,18,31-33H,1-3H2,(H,36,37)(H3,21,25,27,34)(H3,22,26,28,35)",TZVKZAMVJDQYPZ-UHFFFAOYNA-N,C20H25N10O11P,Not Found,612.453,-3.915263983,8,15,8,6,Vibrio choleae c-di-GMP-II aptamer 84 Cd RNA,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2317,Compound 9,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]oxolan-2-yl]methyl}phosphonic acid",[H]C1C(OP(O)(=O)OCC2OC(C(O)C2O)N2C=NC3=C2N=C(N)NC3=O)C(CP(O)(O)=O)OC1N1C=NC2=C1N=C(N)NC2=O,"InChI=1/C20H26N10O13P2/c21-19-25-14-10(16(33)27-19)23-4-29(14)9-1-6(8(41-9)3-44(35,36)37)43-45(38,39)40-2-7-12(31)13(32)18(42-7)30-5-24-11-15(30)26-20(22)28-17(11)34/h4-9,12-13,18,31-32H,1-3H2,(H,38,39)(H2,35,36,37)(H3,21,25,27,33)(H3,22,26,28,34)",OSRHZWQMIIOPAM-UHFFFAOYNA-N,C20H26N10O13P2,Not Found,676.433,-5.199396837,9,17,9,6,Vibrio choleae c-di-GMP-II aptamer 84 Cd RNA,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2318,Compound 10,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-2-methyloxolan-3-yl]oxy}({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy})phosphinic acid",[H]C1C(O)C(COP(O)(=O)OC2C([H])C(OC2C)N2C=NC3=C2N=C(N)NC3=O)OC1N1C=NC2=C1N=C(N)NC2=O,"InChI=1/C20H25N10O9P/c1-7-9(3-12(37-7)30-6-24-14-16(30)26-20(22)28-18(14)33)39-40(34,35)36-4-10-8(31)2-11(38-10)29-5-23-13-15(29)25-19(21)27-17(13)32/h5-12,31H,2-4H2,1H3,(H,34,35)(H3,21,25,27,32)(H3,22,26,28,33)",JABPJPUVRPZNEW-UHFFFAOYNA-N,C20H25N10O9P,Not Found,580.455,-2.063978416,6,13,7,6,Vibrio choleae c-di-GMP-II aptamer 84 Cd RNA,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2319,Compound 11,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]oxolan-2-yl]methyl}phosphonic acid",[H]C1C(O)C(COP(O)(=O)OC2C([H])C(OC2CP(O)(O)=O)N2C=NC3=C2N=C(N)NC3=O)OC1N1C=NC2=C1N=C(N)NC2=O,"InChI=1/C20H26N10O12P2/c21-19-25-15-13(17(32)27-19)23-5-29(15)11-1-7(31)9(40-11)3-39-44(37,38)42-8-2-12(41-10(8)4-43(34,35)36)30-6-24-14-16(30)26-20(22)28-18(14)33/h5-12,31H,1-4H2,(H,37,38)(H2,34,35,36)(H3,21,25,27,32)(H3,22,26,28,33)",ZVXPESMFRXEBOC-UHFFFAOYNA-N,C20H26N10O12P2,Not Found,660.434,-4.427708496,8,16,9,6,Vibrio choleae c-di-GMP-II aptamer 84 Cd RNA,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2320,Compound 12,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-4-[(tert-butyldimethylsilyl)oxy]-2-(hydroxymethyl)oxolan-3-yl]oxy})phosphinic acid",CC(C)(C)[Si](C)(C)OC1C(OP(O)(=O)OCC2OC(C(O)C2O)N2C=NC3=C2N=C(N)NC3=O)C(CO)OC1N1C=NC2=C1N=C(N)NC2=O,"InChI=1/C26H39N10O12PSi/c1-26(2,3)50(4,5)48-17-16(10(6-37)45-23(17)36-9-30-13-19(36)32-25(28)34-21(13)41)47-49(42,43)44-7-11-14(38)15(39)22(46-11)35-8-29-12-18(35)31-24(27)33-20(12)40/h8-11,14-17,22-23,37-39H,6-7H2,1-5H3,(H,42,43)(H3,27,31,33,40)(H3,28,32,34,41)",SZFBDQGTBYQUCU-UHFFFAOYNA-N,C26H39N10O12PSi,Not Found,742.715,-3.021356643,8,16,11,6,Vibrio choleae c-di-GMP-II aptamer 84 Cd RNA,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2321,Compound 13,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-4-[(tert-butyldimethylsilyl)oxy]oxolan-2-yl]methyl}phosphonic acid",CC(C)(C)[Si](C)(C)OC1C(OP(O)(=O)OCC2OC(C(O)C2O)N2C=NC3=C2N=C(N)NC3=O)C(CP(O)(O)=O)OC1N1C=NC2=C1N=C(N)NC2=O,"InChI=1/C26H40N10O14P2Si/c1-26(2,3)53(4,5)50-17-16(11(7-51(41,42)43)48-23(17)36-9-30-13-19(36)32-25(28)34-21(13)40)49-52(44,45)46-6-10-14(37)15(38)22(47-10)35-8-29-12-18(35)31-24(27)33-20(12)39/h8-11,14-17,22-23,37-38H,6-7H2,1-5H3,(H,44,45)(H2,41,42,43)(H3,27,31,33,39)(H3,28,32,34,40)",SPOUUIUEZOXALS-UHFFFAOYNA-N,C26H40N10O14P2Si,Not Found,806.695,-3.825503187,9,18,12,6,Vibrio choleae c-di-GMP-II aptamer 84 Cd RNA,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2322,Compound 14,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy}({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid",COC1C(OP(O)(=O)OCC2OC(C(O)C2O)N2C=NC3=C2N=C(N)NC3=O)C(CO)OC1N1C=NC2=C1N=C(N)NC2=O,"InChI=1/C21H27N10O12P/c1-39-13-12(6(2-32)41-19(13)31-5-25-9-15(31)27-21(23)29-17(9)36)43-44(37,38)40-3-7-10(33)11(34)18(42-7)30-4-24-8-14(30)26-20(22)28-16(8)35/h4-7,10-13,18-19,32-34H,2-3H2,1H3,(H,37,38)(H3,22,26,28,35)(H3,23,27,29,36)",UQTAZHLWPJRHIM-UHFFFAOYNA-N,C21H27N10O12P,Not Found,642.479,-4.171544812,8,16,9,6,Vibrio choleae c-di-GMP-II aptamer 84 Cd RNA,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2323,Compound 15,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-4-methoxyoxolan-2-yl]methyl}phosphonic acid",COC1C(OP(O)(=O)OCC2OC(C(O)C2O)N2C=NC3=C2N=C(N)NC3=O)C(CP(O)(O)=O)OC1N1C=NC2=C1N=C(N)NC2=O,"InChI=1/C21H28N10O14P2/c1-41-13-12(7(3-46(36,37)38)44-19(13)31-5-25-9-15(31)27-21(23)29-17(9)35)45-47(39,40)42-2-6-10(32)11(33)18(43-6)30-4-24-8-14(30)26-20(22)28-16(8)34/h4-7,10-13,18-19,32-33H,2-3H2,1H3,(H,39,40)(H2,36,37,38)(H3,22,26,28,34)(H3,23,27,29,35)",FZKFBXBULDAMLU-UHFFFAOYNA-N,C21H28N10O14P2,Not Found,706.459,-5.398150538,9,18,10,6,Vibrio choleae c-di-GMP-II aptamer 84 Cd RNA,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2324,Compound 16,"[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl sulfanylphosphonate",NC1=NC2=C(N=CN2C2OC(COP(S)(=O)OC3C(CO)OC(C3O)N3C=NC4=C3N=C(N)NC4=O)C(O)C2O)C(=O)N1,"InChI=1/C20H25N10O11PS/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-10(33)9(32)6(40-17)2-38-42(37,43)41-12-5(1-31)39-18(11(12)34)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,43)(H3,21,25,27,35)(H3,22,26,28,36)",WKMLWJBINUBFJY-UHFFFAOYNA-N,C20H25N10O11PS,Not Found,644.51,-3.96009166,9,15,8,6,Vibrio choleae c-di-GMP-II aptamer 84 Cd RNA,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2325,Compound 17,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(sulfanyl)phosphoryl)oxy]-4-hydroxyoxolan-2-yl]methyl}phosphonic acid",NC1=NC2=C(N=CN2C2OC(COP(S)(=O)OC3C(CP(O)(O)=O)OC(C3O)N3C=NC4=C3N=C(N)NC4=O)C(O)C2O)C(=O)N1,"InChI=1/C20H26N10O13P2S/c21-19-25-13-7(15(34)27-19)23-3-29(13)17-10(32)9(31)5(41-17)1-40-45(39,46)43-12-6(2-44(36,37)38)42-18(11(12)33)30-4-24-8-14(30)26-20(22)28-16(8)35/h3-6,9-12,17-18,31-33H,1-2H2,(H,39,46)(H2,36,37,38)(H3,21,25,27,34)(H3,22,26,28,35)",UGGAITBBIGSAEC-UHFFFAOYNA-N,C20H26N10O13P2S,Not Found,708.49,-5.010888835,10,17,9,6,Vibrio choleae c-di-GMP-II aptamer 84 Cd RNA,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2326,Compound 18,"5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl [5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfanylphosphonate",[H]C1C(OP(S)(=O)OCC2OC(C(O)C2O)N2C=NC3=C2N=C(N)NC3=O)C(CO)OC1N1C=NC2=C1N=C(N)NC2=O,"InChI=1/C20H25N10O10PS/c21-19-25-14-10(16(34)27-19)23-4-29(14)9-1-6(7(2-31)38-9)40-41(36,42)37-3-8-12(32)13(33)18(39-8)30-5-24-11-15(30)26-20(22)28-17(11)35/h4-9,12-13,18,31-33H,1-3H2,(H,36,42)(H3,21,25,27,34)(H3,22,26,28,35)",WXPPHLVQRJTDKW-UHFFFAOYNA-N,C20H25N10O10PS,Not Found,628.51,-3.155478475,8,14,8,6,Vibrio choleae c-di-GMP-II aptamer 84 Cd RNA,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2327,Compound 19,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(sulfanyl)phosphoryl)oxy]oxolan-2-yl]methyl}phosphonic acid",[H]C1C(OP(S)(=O)OCC2OC(C(O)C2O)N2C=NC3=C2N=C(N)NC3=O)C(CP(O)(O)=O)OC1N1C=NC2=C1N=C(N)NC2=O,"InChI=1/C20H26N10O12P2S/c21-19-25-14-10(16(33)27-19)23-4-29(14)9-1-6(8(40-9)3-43(35,36)37)42-44(38,45)39-2-7-12(31)13(32)18(41-7)30-5-24-11-15(30)26-20(22)28-17(11)34/h4-9,12-13,18,31-32H,1-3H2,(H,38,45)(H2,35,36,37)(H3,21,25,27,33)(H3,22,26,28,34)",GXVQCBHZWNILBW-UHFFFAOYNA-N,C20H26N10O12P2S,Not Found,692.49,-4.189951252,9,16,9,6,Vibrio choleae c-di-GMP-II aptamer 84 Cd RNA,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2328,Compound 20,"[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-4-[(tert-butyldimethylsilyl)oxy]-2-(hydroxymethyl)oxolan-3-yl sulfanylphosphonate",CC(C)(C)[Si](C)(C)OC1C(OP(S)(=O)OCC2OC(C(O)C2O)N2C=NC3=C2N=C(N)NC3=O)C(CO)OC1N1C=NC2=C1N=C(N)NC2=O,"InChI=1/C26H39N10O11PSSi/c1-26(2,3)50(4,5)47-17-16(10(6-37)44-23(17)36-9-30-13-19(36)32-25(28)34-21(13)41)46-48(42,49)43-7-11-14(38)15(39)22(45-11)35-8-29-12-18(35)31-24(27)33-20(12)40/h8-11,14-17,22-23,37-39H,6-7H2,1-5H3,(H,42,49)(H3,27,31,33,40)(H3,28,32,34,41)",RTQCRDMZDOKWJD-UHFFFAOYNA-N,C26H39N10O11PSSi,Not Found,758.78,-1.967969385,8,15,11,6,Vibrio choleae c-di-GMP-II aptamer 84 Cd RNA,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2329,Compound 21,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(sulfanyl)phosphoryl)oxy]-4-[(tert-butyldimethylsilyl)oxy]oxolan-2-yl]methyl}phosphonic acid",CC(C)(C)[Si](C)(C)OC1C(OP(S)(=O)OCC2OC(C(O)C2O)N2C=NC3=C2N=C(N)NC3=O)C(CP(O)(O)=O)OC1N1C=NC2=C1N=C(N)NC2=O,"InChI=1/C26H40N10O13P2SSi/c1-26(2,3)53(4,5)49-17-16(11(7-50(41,42)43)47-23(17)36-9-30-13-19(36)32-25(28)34-21(13)40)48-51(44,52)45-6-10-14(37)15(38)22(46-10)35-8-29-12-18(35)31-24(27)33-20(12)39/h8-11,14-17,22-23,37-38H,6-7H2,1-5H3,(H,44,52)(H2,41,42,43)(H3,27,31,33,39)(H3,28,32,34,40)",QVEPHRKKFJQMAB-UHFFFAOYNA-N,C26H40N10O13P2SSi,Not Found,822.76,-2.698053012,9,17,12,6,Vibrio choleae c-di-GMP-II aptamer 84 Cd RNA,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2330,Compound 22,"5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl [5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfanylphosphonate",COC1C(OP(S)(=O)OCC2OC(C(O)C2O)N2C=NC3=C2N=C(N)NC3=O)C(CO)OC1N1C=NC2=C1N=C(N)NC2=O,"InChI=1/C21H27N10O11PS/c1-38-13-12(6(2-32)40-19(13)31-5-25-9-15(31)27-21(23)29-17(9)36)42-43(37,44)39-3-7-10(33)11(34)18(41-7)30-4-24-8-14(30)26-20(22)28-16(8)35/h4-7,10-13,18-19,32-34H,2-3H2,1H3,(H,37,44)(H3,22,26,28,35)(H3,23,27,29,36)",LVSDDVVGCSYEGS-UHFFFAOYNA-N,C21H27N10O11PS,Not Found,658.54,-3.410788952,8,15,9,6,Vibrio choleae c-di-GMP-II aptamer 84 Cd RNA,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2331,Compound 23,"{[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-[({[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(sulfanyl)phosphoryl)oxy]-4-methoxyoxolan-2-yl]methyl}phosphonic acid",COC1C(OP(S)(=O)OCC2OC(C(O)C2O)N2C=NC3=C2N=C(N)NC3=O)C(CP(O)(O)=O)OC1N1C=NC2=C1N=C(N)NC2=O,"InChI=1/C21H28N10O13P2S/c1-40-13-12(7(3-45(36,37)38)43-19(13)31-5-25-9-15(31)27-21(23)29-17(9)35)44-46(39,47)41-2-6-10(32)11(33)18(42-6)30-4-24-8-14(30)26-20(22)28-16(8)34/h4-7,10-13,18-19,32-33H,2-3H2,1H3,(H,39,47)(H2,36,37,38)(H3,22,26,28,34)(H3,23,27,29,35)",VTNSJBQLNDTQFY-UHFFFAOYNA-N,C21H28N10O13P2S,Not Found,722.52,-4.3858902,9,17,10,6,Vibrio choleae c-di-GMP-II aptamer 84 Cd RNA,Will be updated soon.,22646696,,,,,,"Furukawa K, Gu H, Sudarsan N, Hayakawa Y, Hyodo M, Breaker RR. Identification of ligand analogues that control c-di-GMP riboswitches. ACS Chem Biol. 2012 Aug 17;7(8):1436-43. doi: 10.1021/cb300138n. Epub 2012 Jun 19. PMID: 22646696; PMCID: PMC4140405.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22646696/,,,,,,Not Found,No,No,,,,
DBoRL2332,c-di-GMP,"8,17-bis(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",NC1=NC2=C(N=CN2C2OC3COP(O)(=O)OC4C(COP(O)(=O)OC3C2O)OC(C4O)N2C=NC3=C2N=C(N)NC3=O)C(=O)N1,"InChI=1/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)",PKFDLKSEZWEFGL-UHFFFAOYNA-N,C20H24N10O14P2,Not Found,690.416,-3.993021518,8,16,2,7,Vibrio choleae c-di-GMP-I mutant aptamer Vc2 110 RNA C92U,Will be updated soon.,19898477,,,,,,"Smith KD, Lipchock SV, Ames TD, Wang J, Breaker RR, Strobel SA. Structural basis of ligand binding by a c-di-GMP riboswitch. Nat Struct Mol Biol. 2009 Dec;16(12):1218-23. doi: 10.1038/nsmb.1702. Epub 2009 Nov 8. PMID: 19898477; PMCID: PMC2850612.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19898477/,,,,,,137221491,No,No,,,,
DBoRL2333,c-di-GMP,"8,17-bis(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",NC1=NC2=C(N=CN2C2OC3COP(O)(=O)OC4C(COP(O)(=O)OC3C2O)OC(C4O)N2C=NC3=C2N=C(N)NC3=O)C(=O)N1,"InChI=1/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)",PKFDLKSEZWEFGL-UHFFFAOYNA-N,C20H24N10O14P2,Not Found,690.416,-3.993021518,8,16,2,7,"Vibrio choleae c-di-GMP-I mutant aptamer Vc2 110 RNA G20A, C92U ",Will be updated soon.,19898477,,,,,,"Smith KD, Lipchock SV, Ames TD, Wang J, Breaker RR, Strobel SA. Structural basis of ligand binding by a c-di-GMP riboswitch. Nat Struct Mol Biol. 2009 Dec;16(12):1218-23. doi: 10.1038/nsmb.1702. Epub 2009 Nov 8. PMID: 19898477; PMCID: PMC2850612.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19898477/,,,,,,137221491,No,No,,,,
DBoRL2334,c-di-AMP,"3,9,12,18-tetrahydroxy-8,17-bis(6-oxo-6,9-dihydro-1H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.3.0.0?,??]octadecane-3,12-dione",OC1C(OC2COP(O)(=O)OC3C(COP(O)(=O)OC12)OC(C3O)N1C=NC2=C1N=CNC2=O)N1C=NC2=C1N=CNC2=O,"InChI=1/C20H22N8O14P2/c29-11-13-7(39-19(11)27-5-25-9-15(27)21-3-23-17(9)31)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)30)28-6-26-10-16(28)22-4-24-18(10)32/h3-8,11-14,19-20,29-30H,1-2H2,(H,33,34)(H,35,36)(H,21,23,31)(H,22,24,32)",VFTRASQVWRBMKD-UHFFFAOYNA-N,C20H22N8O14P2,Not Found,660.386,-3.782415846,6,14,2,7,"Vibrio choleae c-di-GMP-I mutant aptamer Vc2 110 RNA G20A, C92U",Will be updated soon.,19898477,,,,,,"Smith KD, Lipchock SV, Ames TD, Wang J, Breaker RR, Strobel SA. Structural basis of ligand binding by a c-di-GMP riboswitch. Nat Struct Mol Biol. 2009 Dec;16(12):1218-23. doi: 10.1038/nsmb.1702. Epub 2009 Nov 8. PMID: 19898477; PMCID: PMC2850612.",,,,,,https://pubmed.ncbi.nlm.nih.gov/19898477/,,,,,,Not Found,No,No,,,,
DBoRL2335,Tetramethylrosamine(TMR),"6-(dimethylamino)-N,N-dimethyl-9-phenyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=CC=C2)=[N+](C)C)=C1,"InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1",NGSXFKKYKWBNPO-UHFFFAOYSA-N,C23H23N2O,Not Found,343.449,0.486893727,0,2,2,4,MG mutant RNA aptamer U25C,Will be updated soon.,14695514,,,,,,"Flinders J, DeFina SC, Brackett DM, Baugh C, Wilson C, Dieckmann T. Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex. Chembiochem. 2004 Jan 3;5(1):62-72. doi: 10.1002/cbic.200300701. PMID: 14695514.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14695514/,,,,,,2762681,No,No,,,,
DBoRL2336,Tetramethylrosamine(TMR),"6-(dimethylamino)-N,N-dimethyl-9-phenyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=CC=C2)=[N+](C)C)=C1,"InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1",NGSXFKKYKWBNPO-UHFFFAOYSA-N,C23H23N2O,Not Found,343.449,0.486893727,0,2,2,4,MG mutant RNA aptamer U25G,Will be updated soon.,14695514,,,,,,"Flinders J, DeFina SC, Brackett DM, Baugh C, Wilson C, Dieckmann T. Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex. Chembiochem. 2004 Jan 3;5(1):62-72. doi: 10.1002/cbic.200300701. PMID: 14695514.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14695514/,,,,,,2762681,No,No,,,,
DBoRL2337,Tetramethylrosamine(TMR),"6-(dimethylamino)-N,N-dimethyl-9-phenyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=CC=C2)=[N+](C)C)=C1,"InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1",NGSXFKKYKWBNPO-UHFFFAOYSA-N,C23H23N2O,Not Found,343.449,0.486893727,0,2,2,4,MG mutant RNA aptamer U25A,Will be updated soon.,14695514,,,,,,"Flinders J, DeFina SC, Brackett DM, Baugh C, Wilson C, Dieckmann T. Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex. Chembiochem. 2004 Jan 3;5(1):62-72. doi: 10.1002/cbic.200300701. PMID: 14695514.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14695514/,,,,,,2762681,No,No,,,,
DBoRL2338,Tetramethylrosamine(TMR),"6-(dimethylamino)-N,N-dimethyl-9-phenyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=CC=C2)=[N+](C)C)=C1,"InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1",NGSXFKKYKWBNPO-UHFFFAOYSA-N,C23H23N2O,Not Found,343.449,0.486893727,0,2,2,4,MG mutant RNA aptamer A9C,Will be updated soon.,14695514,,,,,,"Flinders J, DeFina SC, Brackett DM, Baugh C, Wilson C, Dieckmann T. Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex. Chembiochem. 2004 Jan 3;5(1):62-72. doi: 10.1002/cbic.200300701. PMID: 14695514.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14695514/,,,,,,2762681,No,No,,,,
DBoRL2339,Tetramethylrosamine(TMR),"6-(dimethylamino)-N,N-dimethyl-9-phenyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=CC=C2)=[N+](C)C)=C1,"InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1",NGSXFKKYKWBNPO-UHFFFAOYSA-N,C23H23N2O,Not Found,343.449,0.486893727,0,2,2,4,MG mutant RNA aptamer A9G,Will be updated soon.,14695514,,,,,,"Flinders J, DeFina SC, Brackett DM, Baugh C, Wilson C, Dieckmann T. Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex. Chembiochem. 2004 Jan 3;5(1):62-72. doi: 10.1002/cbic.200300701. PMID: 14695514.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14695514/,,,,,,2762681,No,No,,,,
DBoRL2340,Tetramethylrosamine(TMR),"6-(dimethylamino)-N,N-dimethyl-9-phenyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=CC=C2)=[N+](C)C)=C1,"InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1",NGSXFKKYKWBNPO-UHFFFAOYSA-N,C23H23N2O,Not Found,343.449,0.486893727,0,2,2,4,MG mutant RNA aptamer A9U,Will be updated soon.,14695514,,,,,,"Flinders J, DeFina SC, Brackett DM, Baugh C, Wilson C, Dieckmann T. Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex. Chembiochem. 2004 Jan 3;5(1):62-72. doi: 10.1002/cbic.200300701. PMID: 14695514.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14695514/,,,,,,2762681,No,No,,,,
DBoRL2341,Tetramethylrosamine(TMR),"6-(dimethylamino)-N,N-dimethyl-9-phenyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=CC=C2)=[N+](C)C)=C1,"InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1",NGSXFKKYKWBNPO-UHFFFAOYSA-N,C23H23N2O,Not Found,343.449,0.486893727,0,2,2,4,MG mutant RNA aptamer A30G,Will be updated soon.,14695514,,,,,,"Flinders J, DeFina SC, Brackett DM, Baugh C, Wilson C, Dieckmann T. Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex. Chembiochem. 2004 Jan 3;5(1):62-72. doi: 10.1002/cbic.200300701. PMID: 14695514.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14695514/,,,,,,2762681,No,No,,,,
DBoRL2342,Tetramethylrosamine(TMR),"6-(dimethylamino)-N,N-dimethyl-9-phenyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=CC=C2)=[N+](C)C)=C1,"InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1",NGSXFKKYKWBNPO-UHFFFAOYSA-N,C23H23N2O,Not Found,343.449,0.486893727,0,2,2,4,MG mutant RNA aptamer A30C,Will be updated soon.,14695514,,,,,,"Flinders J, DeFina SC, Brackett DM, Baugh C, Wilson C, Dieckmann T. Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex. Chembiochem. 2004 Jan 3;5(1):62-72. doi: 10.1002/cbic.200300701. PMID: 14695514.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14695514/,,,,,,2762681,No,No,,,,
DBoRL2343,Tetramethylrosamine(TMR),"6-(dimethylamino)-N,N-dimethyl-9-phenyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=CC=C2)=[N+](C)C)=C1,"InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1",NGSXFKKYKWBNPO-UHFFFAOYSA-N,C23H23N2O,Not Found,343.449,0.486893727,0,2,2,4,MG mutant RNA aptamer A30U,Will be updated soon.,14695514,,,,,,"Flinders J, DeFina SC, Brackett DM, Baugh C, Wilson C, Dieckmann T. Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex. Chembiochem. 2004 Jan 3;5(1):62-72. doi: 10.1002/cbic.200300701. PMID: 14695514.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14695514/,,,,,,2762681,No,No,,,,
DBoRL2344,Tetramethylrosamine(TMR),"6-(dimethylamino)-N,N-dimethyl-9-phenyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=CC=C2)=[N+](C)C)=C1,"InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1",NGSXFKKYKWBNPO-UHFFFAOYSA-N,C23H23N2O,Not Found,343.449,0.486893727,0,2,2,4,MG mutant RNA aptamer A27C,Will be updated soon.,14695514,,,,,,"Flinders J, DeFina SC, Brackett DM, Baugh C, Wilson C, Dieckmann T. Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex. Chembiochem. 2004 Jan 3;5(1):62-72. doi: 10.1002/cbic.200300701. PMID: 14695514.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14695514/,,,,,,2762681,No,No,,,,
DBoRL2345,Tetramethylrosamine(TMR),"6-(dimethylamino)-N,N-dimethyl-9-phenyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=CC=C2)=[N+](C)C)=C1,"InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1",NGSXFKKYKWBNPO-UHFFFAOYSA-N,C23H23N2O,Not Found,343.449,0.486893727,0,2,2,4,MG mutant RNA aptamer A27G,Will be updated soon.,14695514,,,,,,"Flinders J, DeFina SC, Brackett DM, Baugh C, Wilson C, Dieckmann T. Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex. Chembiochem. 2004 Jan 3;5(1):62-72. doi: 10.1002/cbic.200300701. PMID: 14695514.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14695514/,,,,,,2762681,No,No,,,,
DBoRL2346,Tetramethylrosamine(TMR),"6-(dimethylamino)-N,N-dimethyl-9-phenyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=CC=C2)=[N+](C)C)=C1,"InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1",NGSXFKKYKWBNPO-UHFFFAOYSA-N,C23H23N2O,Not Found,343.449,0.486893727,0,2,2,4,MG mutant RNA aptamer A27U,Will be updated soon.,14695514,,,,,,"Flinders J, DeFina SC, Brackett DM, Baugh C, Wilson C, Dieckmann T. Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex. Chembiochem. 2004 Jan 3;5(1):62-72. doi: 10.1002/cbic.200300701. PMID: 14695514.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14695514/,,,,,,2762681,No,No,,,,
DBoRL2347,Tetramethylrosamine(TMR),"6-(dimethylamino)-N,N-dimethyl-9-phenyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=CC=C2)=[N+](C)C)=C1,"InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1",NGSXFKKYKWBNPO-UHFFFAOYSA-N,C23H23N2O,Not Found,343.449,0.486893727,0,2,2,4,"MG mutant RNA aptamer C10G, C23G",Will be updated soon.,14695514,,,,,,"Flinders J, DeFina SC, Brackett DM, Baugh C, Wilson C, Dieckmann T. Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex. Chembiochem. 2004 Jan 3;5(1):62-72. doi: 10.1002/cbic.200300701. PMID: 14695514.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14695514/,,,,,,2762681,No,No,,,,
DBoRL2348,Tetramethylrosamine(TMR),"6-(dimethylamino)-N,N-dimethyl-9-phenyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=CC=C2)=[N+](C)C)=C1,"InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1",NGSXFKKYKWBNPO-UHFFFAOYSA-N,C23H23N2O,Not Found,343.449,0.486893727,0,2,2,4,MG mutant RNA aptamer A26G,Will be updated soon.,14695514,,,,,,"Flinders J, DeFina SC, Brackett DM, Baugh C, Wilson C, Dieckmann T. Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex. Chembiochem. 2004 Jan 3;5(1):62-72. doi: 10.1002/cbic.200300701. PMID: 14695514.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14695514/,,,,,,2762681,No,No,,,,
DBoRL2349,Tetramethylrosamine(TMR),"6-(dimethylamino)-N,N-dimethyl-9-phenyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=CC=C2)=[N+](C)C)=C1,"InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1",NGSXFKKYKWBNPO-UHFFFAOYSA-N,C23H23N2O,Not Found,343.449,0.486893727,0,2,2,4,MG mutant RNA aptamer A26U,Will be updated soon.,14695514,,,,,,"Flinders J, DeFina SC, Brackett DM, Baugh C, Wilson C, Dieckmann T. Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex. Chembiochem. 2004 Jan 3;5(1):62-72. doi: 10.1002/cbic.200300701. PMID: 14695514.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14695514/,,,,,,2762681,No,No,,,,
DBoRL2350,Tetramethylrosamine(TMR),"6-(dimethylamino)-N,N-dimethyl-9-phenyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=CC=C2)=[N+](C)C)=C1,"InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1",NGSXFKKYKWBNPO-UHFFFAOYSA-N,C23H23N2O,Not Found,343.449,0.486893727,0,2,2,4,MG mutant RNA aptamer A26C,Will be updated soon.,14695514,,,,,,"Flinders J, DeFina SC, Brackett DM, Baugh C, Wilson C, Dieckmann T. Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex. Chembiochem. 2004 Jan 3;5(1):62-72. doi: 10.1002/cbic.200300701. PMID: 14695514.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14695514/,,,,,,2762681,No,No,,,,
DBoRL2351,Tetramethylrosamine(TMR),"6-(dimethylamino)-N,N-dimethyl-9-phenyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=CC=C2)=[N+](C)C)=C1,"InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1",NGSXFKKYKWBNPO-UHFFFAOYSA-N,C23H23N2O,Not Found,343.449,0.486893727,0,2,2,4,"MG mutant RNA aptamer U11A, A22U",Will be updated soon.,14695514,,,,,,"Flinders J, DeFina SC, Brackett DM, Baugh C, Wilson C, Dieckmann T. Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex. Chembiochem. 2004 Jan 3;5(1):62-72. doi: 10.1002/cbic.200300701. PMID: 14695514.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14695514/,,,,,,2762681,No,No,,,,
DBoRL2352,Tetramethylrosamine(TMR),"6-(dimethylamino)-N,N-dimethyl-9-phenyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=CC=C2)=[N+](C)C)=C1,"InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1",NGSXFKKYKWBNPO-UHFFFAOYSA-N,C23H23N2O,Not Found,343.449,0.486893727,0,2,2,4,MG mutant RNA aptamer G24C,Will be updated soon.,14695514,,,,,,"Flinders J, DeFina SC, Brackett DM, Baugh C, Wilson C, Dieckmann T. Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex. Chembiochem. 2004 Jan 3;5(1):62-72. doi: 10.1002/cbic.200300701. PMID: 14695514.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14695514/,,,,,,2762681,No,No,,,,
DBoRL2353,Tetramethylrosamine(TMR),"6-(dimethylamino)-N,N-dimethyl-9-phenyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=CC=C2)=[N+](C)C)=C1,"InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1",NGSXFKKYKWBNPO-UHFFFAOYSA-N,C23H23N2O,Not Found,343.449,0.486893727,0,2,2,4,MG mutant RNA aptamer A31G,Will be updated soon.,14695514,,,,,,"Flinders J, DeFina SC, Brackett DM, Baugh C, Wilson C, Dieckmann T. Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex. Chembiochem. 2004 Jan 3;5(1):62-72. doi: 10.1002/cbic.200300701. PMID: 14695514.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14695514/,,,,,,2762681,No,No,,,,
DBoRL2354,Tetramethylrosamine(TMR),"6-(dimethylamino)-N,N-dimethyl-9-phenyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=CC=C2)=[N+](C)C)=C1,"InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1",NGSXFKKYKWBNPO-UHFFFAOYSA-N,C23H23N2O,Not Found,343.449,0.486893727,0,2,2,4,MG mutant RNA aptamer A31C,Will be updated soon.,14695514,,,,,,"Flinders J, DeFina SC, Brackett DM, Baugh C, Wilson C, Dieckmann T. Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex. Chembiochem. 2004 Jan 3;5(1):62-72. doi: 10.1002/cbic.200300701. PMID: 14695514.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14695514/,,,,,,2762681,No,No,,,,
DBoRL2355,Tetramethylrosamine(TMR),"6-(dimethylamino)-N,N-dimethyl-9-phenyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=CC=C2)=[N+](C)C)=C1,"InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1",NGSXFKKYKWBNPO-UHFFFAOYSA-N,C23H23N2O,Not Found,343.449,0.486893727,0,2,2,4,MG mutant RNA aptamer A31U,Will be updated soon.,14695514,,,,,,"Flinders J, DeFina SC, Brackett DM, Baugh C, Wilson C, Dieckmann T. Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex. Chembiochem. 2004 Jan 3;5(1):62-72. doi: 10.1002/cbic.200300701. PMID: 14695514.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14695514/,,,,,,2762681,No,No,,,,
DBoRL2356,Tetramethylrosamine(TMR),"6-(dimethylamino)-N,N-dimethyl-9-phenyl-3H-xanthen-3-iminium",CN(C)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=CC=C2)=[N+](C)C)=C1,"InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1",NGSXFKKYKWBNPO-UHFFFAOYSA-N,C23H23N2O,Not Found,343.449,0.486893727,0,2,2,4,"MG mutant RNA aptamer G8C, C28G",Will be updated soon.,14695514,,,,,,"Flinders J, DeFina SC, Brackett DM, Baugh C, Wilson C, Dieckmann T. Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex. Chembiochem. 2004 Jan 3;5(1):62-72. doi: 10.1002/cbic.200300701. PMID: 14695514.",,,,,,https://pubmed.ncbi.nlm.nih.gov/14695514/,,,,,,2762681,No,No,,,,
DBoRL2357,Glycine,2-aminoacetic acid,NCC(O)=O,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",DHMQDGOQFOQNFH-UHFFFAOYSA-N,C2H5NO2,"56-40-6,25718-94-9,18875-39-3,127883-08-3",75.067,-3.409459573,2,3,1,0,RNA aptamer VC12 (Wild-type),Will be updated soon.,21098652,,,,,,"Erion TV, Strobel SA. Identification of a tertiary interaction important for cooperative ligand binding by the glycine riboswitch. RNA. 2011 Jan;17(1):74-84. doi: 10.1261/rna.2271511. Epub 2010 Nov 23. PMID: 21098652; PMCID: PMC3004068.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21098652/,,,,,,750,Yes,Yes,Nutraceutical Vet_approved,DB00145,https://go.drugbank.com/drugs/DB00145,
DBoRL2358,Glycine,2-aminoacetic acid,NCC(O)=O,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",DHMQDGOQFOQNFH-UHFFFAOYSA-N,C2H5NO2,"56-40-6,25718-94-9,18875-39-3,127883-08-3",75.067,-3.409459573,2,3,1,0,RNA aptamer VC12-C12U,Will be updated soon.,21098652,,,,,,"Erion TV, Strobel SA. Identification of a tertiary interaction important for cooperative ligand binding by the glycine riboswitch. RNA. 2011 Jan;17(1):74-84. doi: 10.1261/rna.2271511. Epub 2010 Nov 23. PMID: 21098652; PMCID: PMC3004068.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21098652/,,,,,,750,Yes,Yes,Nutraceutical Vet_approved,DB00145,https://go.drugbank.com/drugs/DB00145,
DBoRL2359,Glycine,2-aminoacetic acid,NCC(O)=O,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",DHMQDGOQFOQNFH-UHFFFAOYSA-N,C2H5NO2,"56-40-6,25718-94-9,18875-39-3,127883-08-3",75.067,-3.409459573,2,3,1,0,RNA aptamer VC12-P3bL,Will be updated soon.,21098652,,,,,,"Erion TV, Strobel SA. Identification of a tertiary interaction important for cooperative ligand binding by the glycine riboswitch. RNA. 2011 Jan;17(1):74-84. doi: 10.1261/rna.2271511. Epub 2010 Nov 23. PMID: 21098652; PMCID: PMC3004068.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21098652/,,,,,,750,Yes,Yes,Nutraceutical Vet_approved,DB00145,https://go.drugbank.com/drugs/DB00145,
DBoRL2360,Glycine,2-aminoacetic acid,NCC(O)=O,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",DHMQDGOQFOQNFH-UHFFFAOYSA-N,C2H5NO2,"56-40-6,25718-94-9,18875-39-3,127883-08-3",75.067,-3.409459573,2,3,1,0,RNA aptamer VC12-P3bS,Will be updated soon.,21098652,,,,,,"Erion TV, Strobel SA. Identification of a tertiary interaction important for cooperative ligand binding by the glycine riboswitch. RNA. 2011 Jan;17(1):74-84. doi: 10.1261/rna.2271511. Epub 2010 Nov 23. PMID: 21098652; PMCID: PMC3004068.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21098652/,,,,,,750,Yes,Yes,Nutraceutical Vet_approved,DB00145,https://go.drugbank.com/drugs/DB00145,
DBoRL2361,Glycine,2-aminoacetic acid,NCC(O)=O,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",DHMQDGOQFOQNFH-UHFFFAOYSA-N,C2H5NO2,"56-40-6,25718-94-9,18875-39-3,127883-08-3",75.067,-3.409459573,2,3,1,0,RNA aptamer VC2,Will be updated soon.,21098652,,,,,,"Erion TV, Strobel SA. Identification of a tertiary interaction important for cooperative ligand binding by the glycine riboswitch. RNA. 2011 Jan;17(1):74-84. doi: 10.1261/rna.2271511. Epub 2010 Nov 23. PMID: 21098652; PMCID: PMC3004068.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21098652/,,,,,,750,Yes,Yes,Nutraceutical Vet_approved,DB00145,https://go.drugbank.com/drugs/DB00145,
DBoRL2362,Glycine,2-aminoacetic acid,NCC(O)=O,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",DHMQDGOQFOQNFH-UHFFFAOYSA-N,C2H5NO2,"56-40-6,25718-94-9,18875-39-3,127883-08-3",75.067,-3.409459573,2,3,1,0,RNA aptamer VC2-P3bL,Will be updated soon.,21098652,,,,,,"Erion TV, Strobel SA. Identification of a tertiary interaction important for cooperative ligand binding by the glycine riboswitch. RNA. 2011 Jan;17(1):74-84. doi: 10.1261/rna.2271511. Epub 2010 Nov 23. PMID: 21098652; PMCID: PMC3004068.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21098652/,,,,,,750,Yes,Yes,Nutraceutical Vet_approved,DB00145,https://go.drugbank.com/drugs/DB00145,
DBoRL2363,Glutamine,(2S)-2-amino-4-carbamoylbutanoic acid,N[C@@H](CCC(N)=O)C(O)=O,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",ZDXPYRJPNDTMRX-VKHMYHEASA-N,C5H10N2O3,"56-85-9,26700-71-0,184161-19-1",146.146,-4.001133405,3,4,4,0,83 Dp RNA aptamer,Will be updated soon.,21282981,,,,,,"Ames TD, Breaker RR. Bacterial aptamers that selectively bind glutamine. RNA Biol. 2011 Jan-Feb;8(1):82-9. doi: 10.4161/rna.8.1.13864. Epub 2011 Jan 1. PMID: 21282981; PMCID: PMC3127080.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21282981/,,,,,,5961,Yes,Yes,Investigational Nutraceutical,DB00130,https://go.drugbank.com/drugs/DB00130,
DBoRL2364,L-Glutamine,(2S)-2-amino-4-carbamoylbutanoic acid,N[C@@H](CCC(N)=O)C(O)=O,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",ZDXPYRJPNDTMRX-VKHMYHEASA-N,C5H10N2O3,"56-85-9,26700-71-0,184161-19-1",146.146,-4.001133405,3,4,4,0,67 glnA RNA aptamer,Will be updated soon.,21282981,,,,,,"Ames TD, Breaker RR. Bacterial aptamers that selectively bind glutamine. RNA Biol. 2011 Jan-Feb;8(1):82-9. doi: 10.4161/rna.8.1.13864. Epub 2011 Jan 1. PMID: 21282981; PMCID: PMC3127080.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21282981/,,,,,,5961,Yes,Yes,Investigational Nutraceutical,DB00130,https://go.drugbank.com/drugs/DB00130,
DBoRL2365,Tetrahydrofolate (THF),"(2S)-2-{[4-({[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid",[H]N(C[C@H]1CNC2=C(N1)C(=O)NC(N)=N2)C1=CC=C(C=C1)C(=O)N[C@@]([H])(CCC(O)=O)C(O)=O,"InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12-/m0/s1",MSTNYGQPCMXVAQ-RYUDHWBXSA-N,C19H23N7O6,135-16-0,445.436,-2.018126522,8,11,9,3,107 folT RNA aptamer from A. metalliredigen (mutant 1),Will be updated soon.,20659680,,,,,,"Ames TD, Rodionov DA, Weinberg Z, Breaker RR. A eubacterial riboswitch class that senses the coenzyme tetrahydrofolate. Chem Biol. 2010 Jul 30;17(7):681-5. doi: 10.1016/j.chembiol.2010.05.020. PMID: 20659680; PMCID: PMC3417113.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20659680/,,,,,,135398650,Yes,No,Nutraceutical,DB00116,https://go.drugbank.com/drugs/DB00116,
DBoRL2366,Tetrahydrofolate (THF),"(2S)-2-{[4-({[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid",[H]N(C[C@H]1CNC2=C(N1)C(=O)NC(N)=N2)C1=CC=C(C=C1)C(=O)N[C@@]([H])(CCC(O)=O)C(O)=O,"InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12-/m0/s1",MSTNYGQPCMXVAQ-RYUDHWBXSA-N,C19H23N7O6,135-16-0,445.436,-2.018126522,8,11,9,3,108 folT RNA aptamer from A. metalliredigen(mutant 3),Will be updated soon.,20659680,,,,,,"Ames TD, Rodionov DA, Weinberg Z, Breaker RR. A eubacterial riboswitch class that senses the coenzyme tetrahydrofolate. Chem Biol. 2010 Jul 30;17(7):681-5. doi: 10.1016/j.chembiol.2010.05.020. PMID: 20659680; PMCID: PMC3417113.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20659680/,,,,,,135398650,Yes,No,Nutraceutical,DB00116,https://go.drugbank.com/drugs/DB00116,
DBoRL2367,Tetrahydrofolate (THF),"(2S)-2-{[4-({[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid",[H]N(C[C@H]1CNC2=C(N1)C(=O)NC(N)=N2)C1=CC=C(C=C1)C(=O)N[C@@]([H])(CCC(O)=O)C(O)=O,"InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12-/m0/s1",MSTNYGQPCMXVAQ-RYUDHWBXSA-N,C19H23N7O6,135-16-0,445.436,-2.018126522,8,11,9,3,109 folT RNA aptamer from A. metalliredigen(mutant 4),Will be updated soon.,20659680,,,,,,"Ames TD, Rodionov DA, Weinberg Z, Breaker RR. A eubacterial riboswitch class that senses the coenzyme tetrahydrofolate. Chem Biol. 2010 Jul 30;17(7):681-5. doi: 10.1016/j.chembiol.2010.05.020. PMID: 20659680; PMCID: PMC3417113.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20659680/,,,,,,135398650,Yes,No,Nutraceutical,DB00116,https://go.drugbank.com/drugs/DB00116,
DBoRL2368,L- Tyrosine,2-amino-3-(4-hydroxyphenyl)propanoic acid,NC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)",OUYCCCASQSFEME-UHFFFAOYNA-N,C9H11NO3,Not Found,181.191,-1.488594037,3,4,3,1,RNA aptamer TYR 1b,Will be updated soon.,10786843,,,,,,"Mannironi C, Scerch C, Fruscoloni P, Tocchini-Valentini GP. Molecular recognition of amino acids by RNA aptamers: the evolution into an L-tyrosine binder of a dopamine-binding RNA motif. RNA. 2000 Apr;6(4):520-7. doi: 10.1017/s1355838200991763. PMID: 10786843; PMCID: PMC1369933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10786843/,,,,,,1153,Yes,Yes,Investigational Nutraceutical,DB00135,https://go.drugbank.com/drugs/DB00135,
DBoRL2369,L- Tyrosine,2-amino-3-(4-hydroxyphenyl)propanoic acid,NC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)",OUYCCCASQSFEME-UHFFFAOYNA-N,C9H11NO3,Not Found,181.191,-1.488594037,3,4,3,1,RNA aptamer TYR 2,Will be updated soon.,10786843,,,,,,"Mannironi C, Scerch C, Fruscoloni P, Tocchini-Valentini GP. Molecular recognition of amino acids by RNA aptamers: the evolution into an L-tyrosine binder of a dopamine-binding RNA motif. RNA. 2000 Apr;6(4):520-7. doi: 10.1017/s1355838200991763. PMID: 10786843; PMCID: PMC1369933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10786843/,,,,,,1153,Yes,Yes,Investigational Nutraceutical,DB00135,https://go.drugbank.com/drugs/DB00135,
DBoRL2370,L- Tyrosine,2-amino-3-(4-hydroxyphenyl)propanoic acid,NC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)",OUYCCCASQSFEME-UHFFFAOYNA-N,C9H11NO3,Not Found,181.191,-1.488594037,3,4,3,1,RNA aptamer TYR 3,Will be updated soon.,10786843,,,,,,"Mannironi C, Scerch C, Fruscoloni P, Tocchini-Valentini GP. Molecular recognition of amino acids by RNA aptamers: the evolution into an L-tyrosine binder of a dopamine-binding RNA motif. RNA. 2000 Apr;6(4):520-7. doi: 10.1017/s1355838200991763. PMID: 10786843; PMCID: PMC1369933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10786843/,,,,,,1153,Yes,Yes,Investigational Nutraceutical,DB00135,https://go.drugbank.com/drugs/DB00135,
DBoRL2371,L- Tryptophane,2-amino-3-(1H-indol-3-yl)propanoic acid,NC(CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)",QIVBCDIJIAJPQS-UHFFFAOYNA-N,C11H12N2O2,Not Found,204.229,-1.085456914,3,3,3,2,RNA aptamer TYR 1b,Will be updated soon.,10786843,,,,,,"Mannironi C, Scerch C, Fruscoloni P, Tocchini-Valentini GP. Molecular recognition of amino acids by RNA aptamers: the evolution into an L-tyrosine binder of a dopamine-binding RNA motif. RNA. 2000 Apr;6(4):520-7. doi: 10.1017/s1355838200991763. PMID: 10786843; PMCID: PMC1369933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10786843/,,,,,,1148,Yes,Yes,Nutraceutical Withdrawn,DB00150,https://go.drugbank.com/drugs/DB00150,
DBoRL2372,L- Tryptophane,2-amino-3-(1H-indol-3-yl)propanoic acid,NC(CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)",QIVBCDIJIAJPQS-UHFFFAOYNA-N,C11H12N2O2,Not Found,204.229,-1.085456914,3,3,3,2,RNA aptamer TYR 2,Will be updated soon.,10786843,,,,,,"Mannironi C, Scerch C, Fruscoloni P, Tocchini-Valentini GP. Molecular recognition of amino acids by RNA aptamers: the evolution into an L-tyrosine binder of a dopamine-binding RNA motif. RNA. 2000 Apr;6(4):520-7. doi: 10.1017/s1355838200991763. PMID: 10786843; PMCID: PMC1369933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10786843/,,,,,,1148,Yes,Yes,Nutraceutical Withdrawn,DB00150,https://go.drugbank.com/drugs/DB00150,
DBoRL2373,L- Tryptophane,2-amino-3-(1H-indol-3-yl)propanoic acid,NC(CC1=CNC2=CC=CC=C12)C(O)=O,"InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)",QIVBCDIJIAJPQS-UHFFFAOYNA-N,C11H12N2O2,Not Found,204.229,-1.085456914,3,3,3,2,RNA aptamer TYR 3,Will be updated soon.,10786843,,,,,,"Mannironi C, Scerch C, Fruscoloni P, Tocchini-Valentini GP. Molecular recognition of amino acids by RNA aptamers: the evolution into an L-tyrosine binder of a dopamine-binding RNA motif. RNA. 2000 Apr;6(4):520-7. doi: 10.1017/s1355838200991763. PMID: 10786843; PMCID: PMC1369933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10786843/,,,,,,1148,Yes,Yes,Nutraceutical Withdrawn,DB00150,https://go.drugbank.com/drugs/DB00150,
DBoRL2374,L-Dopa,"2-amino-3-(3,4-dihydroxyphenyl)propanoic acid",NC(CC1=CC(O)=C(O)C=C1)C(O)=O,"InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)",WTDRDQBEARUVNC-UHFFFAOYNA-N,C9H11NO4,Not Found,197.19,-1.792181451,4,5,3,1,RNA aptamer TYR 1b,Will be updated soon.,10786843,,,,,,"Mannironi C, Scerch C, Fruscoloni P, Tocchini-Valentini GP. Molecular recognition of amino acids by RNA aptamers: the evolution into an L-tyrosine binder of a dopamine-binding RNA motif. RNA. 2000 Apr;6(4):520-7. doi: 10.1017/s1355838200991763. PMID: 10786843; PMCID: PMC1369933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10786843/,,,,,,836,Yes,Yes,,DB01235,https://go.drugbank.com/drugs/DB01235,
DBoRL2375,L-Dopa,"2-amino-3-(3,4-dihydroxyphenyl)propanoic acid",NC(CC1=CC(O)=C(O)C=C1)C(O)=O,"InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)",WTDRDQBEARUVNC-UHFFFAOYNA-N,C9H11NO4,Not Found,197.19,-1.792181451,4,5,3,1,RNA aptamer TYR 2,Will be updated soon.,10786843,,,,,,"Mannironi C, Scerch C, Fruscoloni P, Tocchini-Valentini GP. Molecular recognition of amino acids by RNA aptamers: the evolution into an L-tyrosine binder of a dopamine-binding RNA motif. RNA. 2000 Apr;6(4):520-7. doi: 10.1017/s1355838200991763. PMID: 10786843; PMCID: PMC1369933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10786843/,,,,,,836,Yes,Yes,,DB01235,https://go.drugbank.com/drugs/DB01235,
DBoRL2376,L-Dopa,"2-amino-3-(3,4-dihydroxyphenyl)propanoic acid",NC(CC1=CC(O)=C(O)C=C1)C(O)=O,"InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)",WTDRDQBEARUVNC-UHFFFAOYNA-N,C9H11NO4,Not Found,197.19,-1.792181451,4,5,3,1,RNA aptamer TYR 3,Will be updated soon.,10786843,,,,,,"Mannironi C, Scerch C, Fruscoloni P, Tocchini-Valentini GP. Molecular recognition of amino acids by RNA aptamers: the evolution into an L-tyrosine binder of a dopamine-binding RNA motif. RNA. 2000 Apr;6(4):520-7. doi: 10.1017/s1355838200991763. PMID: 10786843; PMCID: PMC1369933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10786843/,,,,,,836,Yes,Yes,,DB01235,https://go.drugbank.com/drugs/DB01235,
DBoRL2377,D-Tyrosine,2-amino-3-(4-hydroxyphenyl)propanoic acid,NC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)",OUYCCCASQSFEME-UHFFFAOYNA-N,C9H11NO3,Not Found,181.191,-1.488594037,3,4,3,1,RNA aptamer TYR 1b,Will be updated soon.,10786843,,,,,,"Mannironi C, Scerch C, Fruscoloni P, Tocchini-Valentini GP. Molecular recognition of amino acids by RNA aptamers: the evolution into an L-tyrosine binder of a dopamine-binding RNA motif. RNA. 2000 Apr;6(4):520-7. doi: 10.1017/s1355838200991763. PMID: 10786843; PMCID: PMC1369933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10786843/,,,,,,1153,Yes,No,Experimental,DB03839,https://go.drugbank.com/drugs/DB03839,
DBoRL2378,D-Tyrosine,2-amino-3-(4-hydroxyphenyl)propanoic acid,NC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)",OUYCCCASQSFEME-UHFFFAOYNA-N,C9H11NO3,Not Found,181.191,-1.488594037,3,4,3,1,RNA aptamer TYR 2,Will be updated soon.,10786843,,,,,,"Mannironi C, Scerch C, Fruscoloni P, Tocchini-Valentini GP. Molecular recognition of amino acids by RNA aptamers: the evolution into an L-tyrosine binder of a dopamine-binding RNA motif. RNA. 2000 Apr;6(4):520-7. doi: 10.1017/s1355838200991763. PMID: 10786843; PMCID: PMC1369933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10786843/,,,,,,1153,Yes,No,Experimental,DB03839,https://go.drugbank.com/drugs/DB03839,
DBoRL2379,D-Tyrosine,2-amino-3-(4-hydroxyphenyl)propanoic acid,NC(CC1=CC=C(O)C=C1)C(O)=O,"InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)",OUYCCCASQSFEME-UHFFFAOYNA-N,C9H11NO3,Not Found,181.191,-1.488594037,3,4,3,1,RNA aptamer TYR 3,Will be updated soon.,10786843,,,,,,"Mannironi C, Scerch C, Fruscoloni P, Tocchini-Valentini GP. Molecular recognition of amino acids by RNA aptamers: the evolution into an L-tyrosine binder of a dopamine-binding RNA motif. RNA. 2000 Apr;6(4):520-7. doi: 10.1017/s1355838200991763. PMID: 10786843; PMCID: PMC1369933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10786843/,,,,,,1153,Yes,No,Experimental,DB03839,https://go.drugbank.com/drugs/DB03839,
DBoRL2380,L- Phenylalanine,2-amino-3-phenylpropanoic acid,NC(CC1=CC=CC=C1)C(O)=O,"InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)",COLNVLDHVKWLRT-UHFFFAOYNA-N,C9H11NO2,Not Found,165.192,-1.184438469,2,3,3,1,RNA aptamer TYR 1b,Will be updated soon.,10786843,,,,,,"Mannironi C, Scerch C, Fruscoloni P, Tocchini-Valentini GP. Molecular recognition of amino acids by RNA aptamers: the evolution into an L-tyrosine binder of a dopamine-binding RNA motif. RNA. 2000 Apr;6(4):520-7. doi: 10.1017/s1355838200991763. PMID: 10786843; PMCID: PMC1369933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10786843/,,,,,,994,Yes,Yes,Investigational Nutraceutical,DB00120,https://go.drugbank.com/drugs/DB00120,
DBoRL2381,L- Phenylalanine,2-amino-3-phenylpropanoic acid,NC(CC1=CC=CC=C1)C(O)=O,"InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)",COLNVLDHVKWLRT-UHFFFAOYNA-N,C9H11NO2,Not Found,165.192,-1.184438469,2,3,3,1,RNA aptamer TYR 2,Will be updated soon.,10786843,,,,,,"Mannironi C, Scerch C, Fruscoloni P, Tocchini-Valentini GP. Molecular recognition of amino acids by RNA aptamers: the evolution into an L-tyrosine binder of a dopamine-binding RNA motif. RNA. 2000 Apr;6(4):520-7. doi: 10.1017/s1355838200991763. PMID: 10786843; PMCID: PMC1369933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10786843/,,,,,,994,Yes,Yes,Investigational Nutraceutical,DB00120,https://go.drugbank.com/drugs/DB00120,
DBoRL2382,L- Phenylalanine,2-amino-3-phenylpropanoic acid,NC(CC1=CC=CC=C1)C(O)=O,"InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)",COLNVLDHVKWLRT-UHFFFAOYNA-N,C9H11NO2,Not Found,165.192,-1.184438469,2,3,3,1,RNA aptamer TYR 3,Will be updated soon.,10786843,,,,,,"Mannironi C, Scerch C, Fruscoloni P, Tocchini-Valentini GP. Molecular recognition of amino acids by RNA aptamers: the evolution into an L-tyrosine binder of a dopamine-binding RNA motif. RNA. 2000 Apr;6(4):520-7. doi: 10.1017/s1355838200991763. PMID: 10786843; PMCID: PMC1369933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10786843/,,,,,,994,Yes,Yes,Investigational Nutraceutical,DB00120,https://go.drugbank.com/drugs/DB00120,
DBoRL2383,Dopamine,"4-(2-aminoethyl)benzene-1,2-diol",NCCC1=CC(O)=C(O)C=C1,"InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2",VYFYYTLLBUKUHU-UHFFFAOYSA-N,C8H11NO2,"51-61-6,86389-83-5,50444-17-2",153.181,0.194846135,3,3,2,1,RNA aptamer TYR 1b,Will be updated soon.,10786843,,,,,,"Mannironi C, Scerch C, Fruscoloni P, Tocchini-Valentini GP. Molecular recognition of amino acids by RNA aptamers: the evolution into an L-tyrosine binder of a dopamine-binding RNA motif. RNA. 2000 Apr;6(4):520-7. doi: 10.1017/s1355838200991763. PMID: 10786843; PMCID: PMC1369933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10786843/,,,,,,681,Yes,Yes,,DB00988,https://go.drugbank.com/drugs/DB00988,
DBoRL2384,Dopamine,"4-(2-aminoethyl)benzene-1,2-diol",NCCC1=CC(O)=C(O)C=C1,"InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2",VYFYYTLLBUKUHU-UHFFFAOYSA-N,C8H11NO2,"51-61-6,86389-83-5,50444-17-2",153.181,0.194846135,3,3,2,1,RNA aptamer TYR 2,Will be updated soon.,10786843,,,,,,"Mannironi C, Scerch C, Fruscoloni P, Tocchini-Valentini GP. Molecular recognition of amino acids by RNA aptamers: the evolution into an L-tyrosine binder of a dopamine-binding RNA motif. RNA. 2000 Apr;6(4):520-7. doi: 10.1017/s1355838200991763. PMID: 10786843; PMCID: PMC1369933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10786843/,,,,,,681,Yes,Yes,,DB00988,https://go.drugbank.com/drugs/DB00988,
DBoRL2385,Dopamine,"4-(2-aminoethyl)benzene-1,2-diol",NCCC1=CC(O)=C(O)C=C1,"InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2",VYFYYTLLBUKUHU-UHFFFAOYSA-N,C8H11NO2,"51-61-6,86389-83-5,50444-17-2",153.181,0.194846135,3,3,2,1,RNA aptamer TYR 3,Will be updated soon.,10786843,,,,,,"Mannironi C, Scerch C, Fruscoloni P, Tocchini-Valentini GP. Molecular recognition of amino acids by RNA aptamers: the evolution into an L-tyrosine binder of a dopamine-binding RNA motif. RNA. 2000 Apr;6(4):520-7. doi: 10.1017/s1355838200991763. PMID: 10786843; PMCID: PMC1369933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10786843/,,,,,,681,Yes,Yes,,DB00988,https://go.drugbank.com/drugs/DB00988,
DBoRL2386,Tyramine,4-(2-aminoethyl)phenol,NCCC1=CC=C(O)C=C1,"InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2",DZGWFCGJZKJUFP-UHFFFAOYSA-N,C8H11NO,51-67-2,137.182,0.604889991,2,2,2,1,RNA aptamer TYR 1b,Will be updated soon.,10786843,,,,,,"Mannironi C, Scerch C, Fruscoloni P, Tocchini-Valentini GP. Molecular recognition of amino acids by RNA aptamers: the evolution into an L-tyrosine binder of a dopamine-binding RNA motif. RNA. 2000 Apr;6(4):520-7. doi: 10.1017/s1355838200991763. PMID: 10786843; PMCID: PMC1369933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10786843/,,,,,,5610,Yes,No,Investigational Nutraceutical,DB08841,https://go.drugbank.com/drugs/DB08841,
DBoRL2387,O-P-L-Tyrosine,2-amino-3-[4-(phosphonooxy)phenyl]propanoic acid,NC(CC1=CC=C(OP(O)(O)=O)C=C1)C(O)=O,"InChI=1/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)",DCWXELXMIBXGTH-UHFFFAOYNA-N,C9H12NO6P,Not Found,261.17,-1.133656498,4,6,5,1,RNA aptamer TYR 1b,Will be updated soon.,10786843,,,,,,"Mannironi C, Scerch C, Fruscoloni P, Tocchini-Valentini GP. Molecular recognition of amino acids by RNA aptamers: the evolution into an L-tyrosine binder of a dopamine-binding RNA motif. RNA. 2000 Apr;6(4):520-7. doi: 10.1017/s1355838200991763. PMID: 10786843; PMCID: PMC1369933.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10786843/,,,,,,4589477,Yes,No,Experimental,DB01962,https://go.drugbank.com/drugs/DB01962,
DBoRL2388,L-Citrulline,4-(carbamoylamino)-1-carboxybutan-1-aminium,[H]N([H])C(=O)N([H])CCCC(C(O)=O)[N+]([H])([H])[H],"InChI=1/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/p+1",RHGKLRLOHDJJDR-UHFFFAOYNA-O,C6H14N3O3,Not Found,176.195,-3.931957838,4,3,5,0,RNA aptamer 44Citl 1 5'GACGAGAAGGAGUGCUGGUUCUACUAGCGGUUAGGUCACUCGUC3',Will be updated soon.,8532517,,,,,,"Burgstaller P, Kochoyan M, Famulok M. Structural probing and damage selection of citrulline- and arginine-specific RNA aptamers identify base positions required for binding. Nucleic Acids Res. 1995 Dec 11;23(23):4769-76. doi: 10.1093/nar/23.23.4769. PMID: 8532517; PMCID: PMC307463.",,,,,,https://pubmed.ncbi.nlm.nih.gov/8532517/,,,,,,23246389,Yes,No,Investigational Nutraceutical,DB00155,https://go.drugbank.com/drugs/DB00155,
DBoRL2389,L-Arginine,{amino[(4-azaniumyl-4-carboxybutyl)amino]methylidene}azanium,[H]N([H])C(N([H])CCCC(C(O)=O)[N+]([H])([H])[H])=[N+]([H])[H],"InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+2",ODKSFYDXXFIFQN-UHFFFAOYNA-P,C6H16N4O2,Not Found,176.219,-3.155937377,5,4,5,0,RNA aptamer 44Arg 1 5'GACGAGAAGGAGCGCUGGUUCUACUAGCAGGUAGGUCACUCGUC3',Will be updated soon.,8532517,,,,,,"Burgstaller P, Kochoyan M, Famulok M. Structural probing and damage selection of citrulline- and arginine-specific RNA aptamers identify base positions required for binding. Nucleic Acids Res. 1995 Dec 11;23(23):4769-76. doi: 10.1093/nar/23.23.4769. PMID: 8532517; PMCID: PMC307463.",,,,,,https://pubmed.ncbi.nlm.nih.gov/8532517/,,,,,,5260203,Yes,No,Investigational Nutraceutical,DB00125,https://go.drugbank.com/drugs/DB00125,
DBoRL2390,L-Citrulline,4-(carbamoylamino)-1-carboxybutan-1-aminium,[H]N([H])C(=O)N([H])CCCC(C(O)=O)[N+]([H])([H])[H],"InChI=1/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/p+1",RHGKLRLOHDJJDR-UHFFFAOYNA-O,C6H14N3O3,Not Found,176.195,-3.931957838,4,3,5,0,RNA aptamer 44Arg 1 5'GACGAGAAGGAGCGCUGGUUCUACUAGCAGGUAGGUCACUCGUC3',Will be updated soon.,8532517,,,,,,"Burgstaller P, Kochoyan M, Famulok M. Structural probing and damage selection of citrulline- and arginine-specific RNA aptamers identify base positions required for binding. Nucleic Acids Res. 1995 Dec 11;23(23):4769-76. doi: 10.1093/nar/23.23.4769. PMID: 8532517; PMCID: PMC307463.",,,,,,https://pubmed.ncbi.nlm.nih.gov/8532517/,,,,,,23246389,Yes,No,Investigational Nutraceutical,DB00155,https://go.drugbank.com/drugs/DB00155,
DBoRL2391,L-Arginine ,{amino[(4-azaniumyl-4-carboxybutyl)amino]methylidene}azanium,[H]N([H])C(N([H])CCCC(C(O)=O)[N+]([H])([H])[H])=[N+]([H])[H],"InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+2",ODKSFYDXXFIFQN-UHFFFAOYNA-P,C6H16N4O2,Not Found,176.219,-3.155937377,5,4,5,0,RNA aptamer ag.06,Will be updated soon.,8604334,,,,,,"Geiger A, Burgstaller P, von der Eltz H, Roeder A, Famulok M. RNA aptamers that bind L-arginine with sub-micromolar dissociation constants and high enantioselectivity. Nucleic Acids Res. 1996 Mar 15;24(6):1029-36. doi: 10.1093/nar/24.6.1029. PMID: 8604334; PMCID: PMC145747.",,,,,,https://pubmed.ncbi.nlm.nih.gov/8604334/,,,,,,5260203,Yes,No,Investigational Nutraceutical,DB00125,https://go.drugbank.com/drugs/DB00125,
DBoRL2392,D-arginine,{amino[(4-azaniumyl-4-carboxybutyl)amino]methylidene}azanium,[H]N([H])C(N([H])CCCC(C(O)=O)[N+]([H])([H])[H])=[N+]([H])[H],"InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+2",ODKSFYDXXFIFQN-UHFFFAOYNA-P,C6H16N4O2,Not Found,176.219,-3.155937377,5,4,5,0,RNA aptamer ag.06,Will be updated soon.,8604334,,,,,,"Geiger A, Burgstaller P, von der Eltz H, Roeder A, Famulok M. RNA aptamers that bind L-arginine with sub-micromolar dissociation constants and high enantioselectivity. Nucleic Acids Res. 1996 Mar 15;24(6):1029-36. doi: 10.1093/nar/24.6.1029. PMID: 8604334; PMCID: PMC145747.",,,,,,https://pubmed.ncbi.nlm.nih.gov/8604334/,,,,,,5260203,Yes,No,Experimental,DB04027,https://go.drugbank.com/drugs/DB04027,
DBoRL2393,Pyr tobramycin (PYT),"N-({5-amino-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3-hydroxyoxan-2-yl}methyl)-5-(pyren-2-yl)pentanamide",NC1CC(O)C(CNC(=O)CCCCC2=CC3=C4C(C=CC5=CC=CC(C=C3)=C45)=C2)OC1OC1C(N)CC(N)C(OC2OC(CO)C(O)C(N)C2O)C1O,"InChI=1/C39H53N5O10/c40-23-14-24(41)37(54-39-34(49)32(43)33(48)28(17-45)52-39)35(50)36(23)53-38-25(42)15-26(46)27(51-38)16-44-29(47)7-2-1-4-18-12-21-10-8-19-5-3-6-20-9-11-22(13-18)31(21)30(19)20/h3,5-6,8-13,23-28,32-39,45-46,48-50H,1-2,4,7,14-17,40-43H2,(H,44,47)",DDWJKOFKJJMPQH-UHFFFAOYNA-N,C39H53N5O10,Not Found,751.878,-1.179926482,10,14,12,7,W13 RNA aptamer  (8): 5'-[... CGUUUGGGGUCCCACAACACAGGUCUUUGCUGGUCAUAUAUGCGUGUCCUCUAGGAAGUG...]-3',Will be updated soon.,9383430,,,,,,"Wang Y, Rando RR. Specific binding of aminoglycoside antibiotics to RNA. Chem Biol. 1995 May;2(5):281-90. doi: 10.1016/1074-5521(95)90047-0. PMID: 9383430.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383430/,,,,,,Not Found,No,No,,,,
DBoRL2394,Tobramycin,"4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2",NLVFBUXFDBBNBW-UHFFFAOYNA-N,C18H37N5O9,Not Found,467.52,-6.477500565,10,14,6,3,W13 RNA aptamer  (8): 5'-[... CGUUUGGGGUCCCACAACACAGGUCUUUGCUGGUCAUAUAUGCGUGUCCUCUAGGAAGUG...]-3',Will be updated soon.,9383430,,,,,,"Wang Y, Rando RR. Specific binding of aminoglycoside antibiotics to RNA. Chem Biol. 1995 May;2(5):281-90. doi: 10.1016/1074-5521(95)90047-0. PMID: 9383430.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383430/,,,,,,5496,Yes,Yes,Investigational,DB00684,https://go.drugbank.com/drugs/DB00684,
DBoRL2395,Erythromycin,"6-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione",CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O,"InChI=1/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3",ULGZDMOVFRHVEP-UHFFFAOYNA-N,C37H67NO13,Not Found,733.937,2.596388847,5,13,7,3,W13 RNA aptamer  (8): 5'-[... CGUUUGGGGUCCCACAACACAGGUCUUUGCUGGUCAUAUAUGCGUGUCCUCUAGGAAGUG...]-3',Will be updated soon.,9383430,,,,,,"Wang Y, Rando RR. Specific binding of aminoglycoside antibiotics to RNA. Chem Biol. 1995 May;2(5):281-90. doi: 10.1016/1074-5521(95)90047-0. PMID: 9383430.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383430/,,,,,,3255,Yes,Yes,Investigational Vet_approved,DB00199,https://go.drugbank.com/drugs/DB00199,
DBoRL2396,Gentamycin C,"6-[(4,6-diamino-3-{[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3-methyl-4-(methylamino)oxane-2,3,5-triol",CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CCC3N)C(C)N)C2O)OC(O)C1(C)O,"InChI=1/C20H41N5O8/c1-7(21)11-5-4-8(22)17(30-11)31-14-9(23)6-10(24)15(12(14)26)32-18-13(27)16(25-3)20(2,29)19(28)33-18/h7-19,25-29H,4-6,21-24H2,1-3H3",YUIVBSWPTGSJKI-UHFFFAOYNA-N,C20H41N5O8,Not Found,479.575,-4.206320554,9,13,6,3,W13 RNA aptamer  (8): 5'-[... CGUUUGGGGUCCCACAACACAGGUCUUUGCUGGUCAUAUAUGCGUGUCCUCUAGGAAGUG...]-3',Will be updated soon.,9383430,,,,,,"Wang Y, Rando RR. Specific binding of aminoglycoside antibiotics to RNA. Chem Biol. 1995 May;2(5):281-90. doi: 10.1016/1074-5521(95)90047-0. PMID: 9383430.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383430/,,,,,,Not Found,No,No,,,,
DBoRL2397,Neomycin B,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2",PGBHMTALBVVCIT-UHFFFAOYNA-N,C23H46N6O13,Not Found,614.65,-8.415177746,13,19,9,4,W13 RNA aptamer  (8): 5'-[... CGUUUGGGGUCCCACAACACAGGUCUUUGCUGGUCAUAUAUGCGUGUCCUCUAGGAAGUG...]-3',Will be updated soon.,9383430,,,,,,"Wang Y, Rando RR. Specific binding of aminoglycoside antibiotics to RNA. Chem Biol. 1995 May;2(5):281-90. doi: 10.1016/1074-5521(95)90047-0. PMID: 9383430.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383430/,,,,,,4454,Yes,Yes,,DB00452,https://go.drugbank.com/drugs/DB00452,
DBoRL2398,Pyr tobramycin (PYT),"N-({5-amino-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3-hydroxyoxan-2-yl}methyl)-5-(pyren-2-yl)pentanamide",NC1CC(O)C(CNC(=O)CCCCC2=CC3=C4C(C=CC5=CC=CC(C=C3)=C45)=C2)OC1OC1C(N)CC(N)C(OC2OC(CO)C(O)C(N)C2O)C1O,"InChI=1/C39H53N5O10/c40-23-14-24(41)37(54-39-34(49)32(43)33(48)28(17-45)52-39)35(50)36(23)53-38-25(42)15-26(46)27(51-38)16-44-29(47)7-2-1-4-18-12-21-10-8-19-5-3-6-20-9-11-22(13-18)31(21)30(19)20/h3,5-6,8-13,23-28,32-39,45-46,48-50H,1-2,4,7,14-17,40-43H2,(H,44,47)",DDWJKOFKJJMPQH-UHFFFAOYNA-N,C39H53N5O10,Not Found,751.878,-1.179926482,10,14,12,7,X1(4): 5'-(... CUGGUUAGUUUUGCACAGUGGTCGAUGCUAGACUUGGUUUAGGUAAUGAGUCCAAUAGUC...)-3',Will be updated soon.,9383430,,,,,,"Wang Y, Rando RR. Specific binding of aminoglycoside antibiotics to RNA. Chem Biol. 1995 May;2(5):281-90. doi: 10.1016/1074-5521(95)90047-0. PMID: 9383430.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383430/,,,,,,Not Found,No,No,,,,
DBoRL2399,Tobramycin,"4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2",NLVFBUXFDBBNBW-UHFFFAOYNA-N,C18H37N5O9,Not Found,467.52,-6.477500565,10,14,6,3,X1(4): 5'-(... CUGGUUAGUUUUGCACAGUGGTCGAUGCUAGACUUGGUUUAGGUAAUGAGUCCAAUAGUC...)-3',Will be updated soon.,9383430,,,,,,"Wang Y, Rando RR. Specific binding of aminoglycoside antibiotics to RNA. Chem Biol. 1995 May;2(5):281-90. doi: 10.1016/1074-5521(95)90047-0. PMID: 9383430.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383430/,,,,,,5496,Yes,Yes,Investigational,DB00684,https://go.drugbank.com/drugs/DB00684,
DBoRL2400,Pyr tobramycin (PYT),"N-({5-amino-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3-hydroxyoxan-2-yl}methyl)-5-(pyren-2-yl)pentanamide",NC1CC(O)C(CNC(=O)CCCCC2=CC3=C4C(C=CC5=CC=CC(C=C3)=C45)=C2)OC1OC1C(N)CC(N)C(OC2OC(CO)C(O)C(N)C2O)C1O,"InChI=1/C39H53N5O10/c40-23-14-24(41)37(54-39-34(49)32(43)33(48)28(17-45)52-39)35(50)36(23)53-38-25(42)15-26(46)27(51-38)16-44-29(47)7-2-1-4-18-12-21-10-8-19-5-3-6-20-9-11-22(13-18)31(21)30(19)20/h3,5-6,8-13,23-28,32-39,45-46,48-50H,1-2,4,7,14-17,40-43H2,(H,44,47)",DDWJKOFKJJMPQH-UHFFFAOYNA-N,C39H53N5O10,Not Found,751.878,-1.179926482,10,14,12,7,J6 ( 13): 5'-(... AGUAUAGCGAGGUUAGCUACACUCGUGCUGAUCGUUUGGUACGGGACCUGCGUGUAGCC...]-3',Will be updated soon.,9383430,,,,,,"Wang Y, Rando RR. Specific binding of aminoglycoside antibiotics to RNA. Chem Biol. 1995 May;2(5):281-90. doi: 10.1016/1074-5521(95)90047-0. PMID: 9383430.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383430/,,,,,,Not Found,No,No,,,,
DBoRL2401,Tobramycin,"4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2",NLVFBUXFDBBNBW-UHFFFAOYNA-N,C18H37N5O9,Not Found,467.52,-6.477500565,10,14,6,3,J6 ( 13): 5'-(... AGUAUAGCGAGGUUAGCUACACUCGUGCUGAUCGUUUGGUACGGGACCUGCGUGUAGCC...]-3',Will be updated soon.,9383430,,,,,,"Wang Y, Rando RR. Specific binding of aminoglycoside antibiotics to RNA. Chem Biol. 1995 May;2(5):281-90. doi: 10.1016/1074-5521(95)90047-0. PMID: 9383430.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383430/,,,,,,5496,Yes,Yes,Investigational,DB00684,https://go.drugbank.com/drugs/DB00684,
DBoRL2402,Pyr tobramycin (PYT),"N-({5-amino-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3-hydroxyoxan-2-yl}methyl)-5-(pyren-2-yl)pentanamide",NC1CC(O)C(CNC(=O)CCCCC2=CC3=C4C(C=CC5=CC=CC(C=C3)=C45)=C2)OC1OC1C(N)CC(N)C(OC2OC(CO)C(O)C(N)C2O)C1O,"InChI=1/C39H53N5O10/c40-23-14-24(41)37(54-39-34(49)32(43)33(48)28(17-45)52-39)35(50)36(23)53-38-25(42)15-26(46)27(51-38)16-44-29(47)7-2-1-4-18-12-21-10-8-19-5-3-6-20-9-11-22(13-18)31(21)30(19)20/h3,5-6,8-13,23-28,32-39,45-46,48-50H,1-2,4,7,14-17,40-43H2,(H,44,47)",DDWJKOFKJJMPQH-UHFFFAOYNA-N,C39H53N5O10,Not Found,751.878,-1.179926482,10,14,12,7,J6sl (sl is stem loop),Will be updated soon.,9383430,,,,,,"Wang Y, Rando RR. Specific binding of aminoglycoside antibiotics to RNA. Chem Biol. 1995 May;2(5):281-90. doi: 10.1016/1074-5521(95)90047-0. PMID: 9383430.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383430/,,,,,,Not Found,No,No,,,,
DBoRL2403,Tobramycin,"4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2",NLVFBUXFDBBNBW-UHFFFAOYNA-N,C18H37N5O9,Not Found,467.52,-6.477500565,10,14,6,3,J6sl (sl is stem loop),Will be updated soon.,9383430,,,,,,"Wang Y, Rando RR. Specific binding of aminoglycoside antibiotics to RNA. Chem Biol. 1995 May;2(5):281-90. doi: 10.1016/1074-5521(95)90047-0. PMID: 9383430.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383430/,,,,,,5496,Yes,Yes,Investigational,DB00684,https://go.drugbank.com/drugs/DB00684,
DBoRL2404,Pyr tobramycin (PYT),"N-({5-amino-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3-hydroxyoxan-2-yl}methyl)-5-(pyren-2-yl)pentanamide",NC1CC(O)C(CNC(=O)CCCCC2=CC3=C4C(C=CC5=CC=CC(C=C3)=C45)=C2)OC1OC1C(N)CC(N)C(OC2OC(CO)C(O)C(N)C2O)C1O,"InChI=1/C39H53N5O10/c40-23-14-24(41)37(54-39-34(49)32(43)33(48)28(17-45)52-39)35(50)36(23)53-38-25(42)15-26(46)27(51-38)16-44-29(47)7-2-1-4-18-12-21-10-8-19-5-3-6-20-9-11-22(13-18)31(21)30(19)20/h3,5-6,8-13,23-28,32-39,45-46,48-50H,1-2,4,7,14-17,40-43H2,(H,44,47)",DDWJKOFKJJMPQH-UHFFFAOYNA-N,C39H53N5O10,Not Found,751.878,-1.179926482,10,14,12,7,Xlsl (sl is stem loop),Will be updated soon.,9383430,,,,,,"Wang Y, Rando RR. Specific binding of aminoglycoside antibiotics to RNA. Chem Biol. 1995 May;2(5):281-90. doi: 10.1016/1074-5521(95)90047-0. PMID: 9383430.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383430/,,,,,,Not Found,No,No,,,,
DBoRL2405,Tobramycin,"4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2",NLVFBUXFDBBNBW-UHFFFAOYNA-N,C18H37N5O9,Not Found,467.52,-6.477500565,10,14,6,3,Xlsl (sl is stem loop),Will be updated soon.,9383430,,,,,,"Wang Y, Rando RR. Specific binding of aminoglycoside antibiotics to RNA. Chem Biol. 1995 May;2(5):281-90. doi: 10.1016/1074-5521(95)90047-0. PMID: 9383430.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383430/,,,,,,5496,Yes,Yes,Investigational,DB00684,https://go.drugbank.com/drugs/DB00684,
DBoRL2406,5-Carboxytetramethylrhodamine-labeled tobramycin (CRT),"9-{4-[({5-amino-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3-hydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CCN(CC)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(N)CC2O)=[N+](C)C)=C1,"InChI=1/C45H61N7O13/c1-5-52(6-2)22-9-12-25-32(15-22)61-31-14-21(51(3)4)8-11-24(31)35(25)23-10-7-20(13-26(23)43(59)60)42(58)50-18-33-30(54)17-29(48)44(62-33)64-40-27(46)16-28(47)41(39(40)57)65-45-38(56)36(49)37(55)34(19-53)63-45/h7-15,27-30,33-34,36-41,44-45,53-57H,5-6,16-19,46-49H2,1-4H3,(H-,50,58,59,60)/p+1",GVXCWMBPIJULHS-UHFFFAOYNA-O,C45H62N7O13,Not Found,909.026,-5.829634897,11,18,12,7,RNA aptamer J6 (109-mer),Will be updated soon.,9425088,,,,,,"Hamasaki K, Killian J, Cho J, Rando RR. Minimal RNA constructs that specifically bind aminoglycoside antibiotics with high affinities. Biochemistry. 1998 Jan 13;37(2):656-63. doi: 10.1021/bi971095t. PMID: 9425088.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9425088/,,,,,,Not Found,No,No,,,,
DBoRL2407,5-Carboxytetramethylrhodamine-labeled tobramycin (CRT),"9-{4-[({5-amino-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3-hydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CCN(CC)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(N)CC2O)=[N+](C)C)=C1,"InChI=1/C45H61N7O13/c1-5-52(6-2)22-9-12-25-32(15-22)61-31-14-21(51(3)4)8-11-24(31)35(25)23-10-7-20(13-26(23)43(59)60)42(58)50-18-33-30(54)17-29(48)44(62-33)64-40-27(46)16-28(47)41(39(40)57)65-45-38(56)36(49)37(55)34(19-53)63-45/h7-15,27-30,33-34,36-41,44-45,53-57H,5-6,16-19,46-49H2,1-4H3,(H-,50,58,59,60)/p+1",GVXCWMBPIJULHS-UHFFFAOYNA-O,C45H62N7O13,Not Found,909.026,-5.829634897,11,18,12,7,RNA aptamer J6a (87-mer),Will be updated soon.,9425088,,,,,,"Hamasaki K, Killian J, Cho J, Rando RR. Minimal RNA constructs that specifically bind aminoglycoside antibiotics with high affinities. Biochemistry. 1998 Jan 13;37(2):656-63. doi: 10.1021/bi971095t. PMID: 9425088.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9425088/,,,,,,Not Found,No,No,,,,
DBoRL2408,5-Carboxytetramethylrhodamine-labeled tobramycin (CRT),"9-{4-[({5-amino-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3-hydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CCN(CC)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(N)CC2O)=[N+](C)C)=C1,"InChI=1/C45H61N7O13/c1-5-52(6-2)22-9-12-25-32(15-22)61-31-14-21(51(3)4)8-11-24(31)35(25)23-10-7-20(13-26(23)43(59)60)42(58)50-18-33-30(54)17-29(48)44(62-33)64-40-27(46)16-28(47)41(39(40)57)65-45-38(56)36(49)37(55)34(19-53)63-45/h7-15,27-30,33-34,36-41,44-45,53-57H,5-6,16-19,46-49H2,1-4H3,(H-,50,58,59,60)/p+1",GVXCWMBPIJULHS-UHFFFAOYNA-O,C45H62N7O13,Not Found,909.026,-5.829634897,11,18,12,7,RNA aptamer J6b (71-mer),Will be updated soon.,9425088,,,,,,"Hamasaki K, Killian J, Cho J, Rando RR. Minimal RNA constructs that specifically bind aminoglycoside antibiotics with high affinities. Biochemistry. 1998 Jan 13;37(2):656-63. doi: 10.1021/bi971095t. PMID: 9425088.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9425088/,,,,,,Not Found,No,No,,,,
DBoRL2409,5-Carboxytetramethylrhodamine-labeled tobramycin (CRT),"9-{4-[({5-amino-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3-hydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CCN(CC)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(N)CC2O)=[N+](C)C)=C1,"InChI=1/C45H61N7O13/c1-5-52(6-2)22-9-12-25-32(15-22)61-31-14-21(51(3)4)8-11-24(31)35(25)23-10-7-20(13-26(23)43(59)60)42(58)50-18-33-30(54)17-29(48)44(62-33)64-40-27(46)16-28(47)41(39(40)57)65-45-38(56)36(49)37(55)34(19-53)63-45/h7-15,27-30,33-34,36-41,44-45,53-57H,5-6,16-19,46-49H2,1-4H3,(H-,50,58,59,60)/p+1",GVXCWMBPIJULHS-UHFFFAOYNA-O,C45H62N7O13,Not Found,909.026,-5.829634897,11,18,12,7,RNA aptamer J6c (57-mer),Will be updated soon.,9425088,,,,,,"Hamasaki K, Killian J, Cho J, Rando RR. Minimal RNA constructs that specifically bind aminoglycoside antibiotics with high affinities. Biochemistry. 1998 Jan 13;37(2):656-63. doi: 10.1021/bi971095t. PMID: 9425088.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9425088/,,,,,,Not Found,No,No,,,,
DBoRL2410,5-Carboxytetramethylrhodamine-labeled tobramycin (CRT),"9-{4-[({5-amino-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3-hydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CCN(CC)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(N)CC2O)=[N+](C)C)=C1,"InChI=1/C45H61N7O13/c1-5-52(6-2)22-9-12-25-32(15-22)61-31-14-21(51(3)4)8-11-24(31)35(25)23-10-7-20(13-26(23)43(59)60)42(58)50-18-33-30(54)17-29(48)44(62-33)64-40-27(46)16-28(47)41(39(40)57)65-45-38(56)36(49)37(55)34(19-53)63-45/h7-15,27-30,33-34,36-41,44-45,53-57H,5-6,16-19,46-49H2,1-4H3,(H-,50,58,59,60)/p+1",GVXCWMBPIJULHS-UHFFFAOYNA-O,C45H62N7O13,Not Found,909.026,-5.829634897,11,18,12,7,RNA aptamer J6e (39-mer),Will be updated soon.,9425088,,,,,,"Hamasaki K, Killian J, Cho J, Rando RR. Minimal RNA constructs that specifically bind aminoglycoside antibiotics with high affinities. Biochemistry. 1998 Jan 13;37(2):656-63. doi: 10.1021/bi971095t. PMID: 9425088.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9425088/,,,,,,Not Found,No,No,,,,
DBoRL2411,5-Carboxytetramethylrhodamine-labeled tobramycin (CRT),"9-{4-[({5-amino-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3-hydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CCN(CC)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(N)CC2O)=[N+](C)C)=C1,"InChI=1/C45H61N7O13/c1-5-52(6-2)22-9-12-25-32(15-22)61-31-14-21(51(3)4)8-11-24(31)35(25)23-10-7-20(13-26(23)43(59)60)42(58)50-18-33-30(54)17-29(48)44(62-33)64-40-27(46)16-28(47)41(39(40)57)65-45-38(56)36(49)37(55)34(19-53)63-45/h7-15,27-30,33-34,36-41,44-45,53-57H,5-6,16-19,46-49H2,1-4H3,(H-,50,58,59,60)/p+1",GVXCWMBPIJULHS-UHFFFAOYNA-O,C45H62N7O13,Not Found,909.026,-5.829634897,11,18,12,7,RNA aptamer J6e1 (40-mer),Will be updated soon.,9425088,,,,,,"Hamasaki K, Killian J, Cho J, Rando RR. Minimal RNA constructs that specifically bind aminoglycoside antibiotics with high affinities. Biochemistry. 1998 Jan 13;37(2):656-63. doi: 10.1021/bi971095t. PMID: 9425088.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9425088/,,,,,,Not Found,No,No,,,,
DBoRL2412,5-Carboxytetramethylrhodamine-labeled tobramycin (CRT),"9-{4-[({5-amino-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3-hydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CCN(CC)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(N)CC2O)=[N+](C)C)=C1,"InChI=1/C45H61N7O13/c1-5-52(6-2)22-9-12-25-32(15-22)61-31-14-21(51(3)4)8-11-24(31)35(25)23-10-7-20(13-26(23)43(59)60)42(58)50-18-33-30(54)17-29(48)44(62-33)64-40-27(46)16-28(47)41(39(40)57)65-45-38(56)36(49)37(55)34(19-53)63-45/h7-15,27-30,33-34,36-41,44-45,53-57H,5-6,16-19,46-49H2,1-4H3,(H-,50,58,59,60)/p+1",GVXCWMBPIJULHS-UHFFFAOYNA-O,C45H62N7O13,Not Found,909.026,-5.829634897,11,18,12,7,RNA aptamer J6f1 (40-mer),Will be updated soon.,9425088,,,,,,"Hamasaki K, Killian J, Cho J, Rando RR. Minimal RNA constructs that specifically bind aminoglycoside antibiotics with high affinities. Biochemistry. 1998 Jan 13;37(2):656-63. doi: 10.1021/bi971095t. PMID: 9425088.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9425088/,,,,,,Not Found,No,No,,,,
DBoRL2413,Tobramycin,"4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2",NLVFBUXFDBBNBW-UHFFFAOYNA-N,C18H37N5O9,Not Found,467.52,-6.477500565,10,14,6,3,RNA aptamer J6 (109-mer),Will be updated soon.,9425088,,,,,,"Hamasaki K, Killian J, Cho J, Rando RR. Minimal RNA constructs that specifically bind aminoglycoside antibiotics with high affinities. Biochemistry. 1998 Jan 13;37(2):656-63. doi: 10.1021/bi971095t. PMID: 9425088.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9425088/,,,,,,5496,Yes,Yes,Investigational,DB00684,https://go.drugbank.com/drugs/DB00684,
DBoRL2414,Tobramycin,"4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2",NLVFBUXFDBBNBW-UHFFFAOYNA-N,C18H37N5O9,Not Found,467.52,-6.477500565,10,14,6,3,RNA aptamer J6a (87-mer),Will be updated soon.,9425088,,,,,,"Hamasaki K, Killian J, Cho J, Rando RR. Minimal RNA constructs that specifically bind aminoglycoside antibiotics with high affinities. Biochemistry. 1998 Jan 13;37(2):656-63. doi: 10.1021/bi971095t. PMID: 9425088.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9425088/,,,,,,5496,Yes,Yes,Investigational,DB00684,https://go.drugbank.com/drugs/DB00684,
DBoRL2415,Tobramycin,"4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2",NLVFBUXFDBBNBW-UHFFFAOYNA-N,C18H37N5O9,Not Found,467.52,-6.477500565,10,14,6,3,RNA aptamer J6b (71-mer),Will be updated soon.,9425088,,,,,,"Hamasaki K, Killian J, Cho J, Rando RR. Minimal RNA constructs that specifically bind aminoglycoside antibiotics with high affinities. Biochemistry. 1998 Jan 13;37(2):656-63. doi: 10.1021/bi971095t. PMID: 9425088.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9425088/,,,,,,5496,Yes,Yes,Investigational,DB00684,https://go.drugbank.com/drugs/DB00684,
DBoRL2416,Tobramycin,"4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2",NLVFBUXFDBBNBW-UHFFFAOYNA-N,C18H37N5O9,Not Found,467.52,-6.477500565,10,14,6,3,RNA aptamer J6c (57-mer),Will be updated soon.,9425088,,,,,,"Hamasaki K, Killian J, Cho J, Rando RR. Minimal RNA constructs that specifically bind aminoglycoside antibiotics with high affinities. Biochemistry. 1998 Jan 13;37(2):656-63. doi: 10.1021/bi971095t. PMID: 9425088.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9425088/,,,,,,5496,Yes,Yes,Investigational,DB00684,https://go.drugbank.com/drugs/DB00684,
DBoRL2417,Tobramycin,"4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2",NLVFBUXFDBBNBW-UHFFFAOYNA-N,C18H37N5O9,Not Found,467.52,-6.477500565,10,14,6,3,RNA aptamer J6e (39-mer),Will be updated soon.,9425088,,,,,,"Hamasaki K, Killian J, Cho J, Rando RR. Minimal RNA constructs that specifically bind aminoglycoside antibiotics with high affinities. Biochemistry. 1998 Jan 13;37(2):656-63. doi: 10.1021/bi971095t. PMID: 9425088.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9425088/,,,,,,5496,Yes,Yes,Investigational,DB00684,https://go.drugbank.com/drugs/DB00684,
DBoRL2418,Tobramycin,"4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2",NLVFBUXFDBBNBW-UHFFFAOYNA-N,C18H37N5O9,Not Found,467.52,-6.477500565,10,14,6,3,RNA aptamer J6e1 (40-mer),Will be updated soon.,9425088,,,,,,"Hamasaki K, Killian J, Cho J, Rando RR. Minimal RNA constructs that specifically bind aminoglycoside antibiotics with high affinities. Biochemistry. 1998 Jan 13;37(2):656-63. doi: 10.1021/bi971095t. PMID: 9425088.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9425088/,,,,,,5496,Yes,Yes,Investigational,DB00684,https://go.drugbank.com/drugs/DB00684,
DBoRL2419,Tobramycin,"4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2",NLVFBUXFDBBNBW-UHFFFAOYNA-N,C18H37N5O9,Not Found,467.52,-6.477500565,10,14,6,3,RNA aptamer J6f1 (40-mer),Will be updated soon.,9425088,,,,,,"Hamasaki K, Killian J, Cho J, Rando RR. Minimal RNA constructs that specifically bind aminoglycoside antibiotics with high affinities. Biochemistry. 1998 Jan 13;37(2):656-63. doi: 10.1021/bi971095t. PMID: 9425088.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9425088/,,,,,,5496,Yes,Yes,Investigational,DB00684,https://go.drugbank.com/drugs/DB00684,
DBoRL2420,Kanamycin B,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O,"InChI=1/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2",SKKLOUVUUNMCJE-UHFFFAOYNA-N,C18H37N5O10,Not Found,483.519,-7.167795246,11,15,6,3,RNA aptamer J6 (109-mer),Will be updated soon.,9425088,,,,,,"Hamasaki K, Killian J, Cho J, Rando RR. Minimal RNA constructs that specifically bind aminoglycoside antibiotics with high affinities. Biochemistry. 1998 Jan 13;37(2):656-63. doi: 10.1021/bi971095t. PMID: 9425088.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9425088/,,,,,,816,Yes,No,Experimental,DB13673,https://go.drugbank.com/drugs/DB13673,
DBoRL2421,Kanamycin B,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O,"InChI=1/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2",SKKLOUVUUNMCJE-UHFFFAOYNA-N,C18H37N5O10,Not Found,483.519,-7.167795246,11,15,6,3,RNA aptamer J6c (57-mer),Will be updated soon.,9425088,,,,,,"Hamasaki K, Killian J, Cho J, Rando RR. Minimal RNA constructs that specifically bind aminoglycoside antibiotics with high affinities. Biochemistry. 1998 Jan 13;37(2):656-63. doi: 10.1021/bi971095t. PMID: 9425088.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9425088/,,,,,,816,Yes,No,Experimental,DB13673,https://go.drugbank.com/drugs/DB13673,
DBoRL2422,Kanamycin B,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O,"InChI=1/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2",SKKLOUVUUNMCJE-UHFFFAOYNA-N,C18H37N5O10,Not Found,483.519,-7.167795246,11,15,6,3,RNA aptamer J6f1 (40-mer),Will be updated soon.,9425088,,,,,,"Hamasaki K, Killian J, Cho J, Rando RR. Minimal RNA constructs that specifically bind aminoglycoside antibiotics with high affinities. Biochemistry. 1998 Jan 13;37(2):656-63. doi: 10.1021/bi971095t. PMID: 9425088.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9425088/,,,,,,816,Yes,No,Experimental,DB13673,https://go.drugbank.com/drugs/DB13673,
DBoRL2423,Neomycin,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2",PGBHMTALBVVCIT-UHFFFAOYNA-N,C23H46N6O13,Not Found,614.65,-8.415177746,13,19,9,4,RNA aptamer J6 (109-mer),Will be updated soon.,9425088,,,,,,"Hamasaki K, Killian J, Cho J, Rando RR. Minimal RNA constructs that specifically bind aminoglycoside antibiotics with high affinities. Biochemistry. 1998 Jan 13;37(2):656-63. doi: 10.1021/bi971095t. PMID: 9425088.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9425088/,,,,,,4454,Yes,Yes,,DB00452,https://go.drugbank.com/drugs/DB00452,
DBoRL2424,Neomycin,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2",PGBHMTALBVVCIT-UHFFFAOYNA-N,C23H46N6O13,Not Found,614.65,-8.415177746,13,19,9,4,RNA aptamer J6c (57-mer),Will be updated soon.,9425088,,,,,,"Hamasaki K, Killian J, Cho J, Rando RR. Minimal RNA constructs that specifically bind aminoglycoside antibiotics with high affinities. Biochemistry. 1998 Jan 13;37(2):656-63. doi: 10.1021/bi971095t. PMID: 9425088.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9425088/,,,,,,4454,Yes,Yes,,DB00452,https://go.drugbank.com/drugs/DB00452,
DBoRL2425,Neomycin,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2",PGBHMTALBVVCIT-UHFFFAOYNA-N,C23H46N6O13,Not Found,614.65,-8.415177746,13,19,9,4,RNA aptamer J6e (39-mer),Will be updated soon.,9425088,,,,,,"Hamasaki K, Killian J, Cho J, Rando RR. Minimal RNA constructs that specifically bind aminoglycoside antibiotics with high affinities. Biochemistry. 1998 Jan 13;37(2):656-63. doi: 10.1021/bi971095t. PMID: 9425088.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9425088/,,,,,,4454,Yes,Yes,,DB00452,https://go.drugbank.com/drugs/DB00452,
DBoRL2426,Neomycin,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2",PGBHMTALBVVCIT-UHFFFAOYNA-N,C23H46N6O13,Not Found,614.65,-8.415177746,13,19,9,4,RNA aptamer J6f1 (40-mer),Will be updated soon.,9425088,,,,,,"Hamasaki K, Killian J, Cho J, Rando RR. Minimal RNA constructs that specifically bind aminoglycoside antibiotics with high affinities. Biochemistry. 1998 Jan 13;37(2):656-63. doi: 10.1021/bi971095t. PMID: 9425088.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9425088/,,,,,,4454,Yes,Yes,,DB00452,https://go.drugbank.com/drugs/DB00452,
DBoRL2427,Gentamycin,"6-[(4,6-diamino-3-{[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3-methyl-4-(methylamino)oxane-2,3,5-triol",CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CCC3N)C(C)N)C2O)OC(O)C1(C)O,"InChI=1/C20H41N5O8/c1-7(21)11-5-4-8(22)17(30-11)31-14-9(23)6-10(24)15(12(14)26)32-18-13(27)16(25-3)20(2,29)19(28)33-18/h7-19,25-29H,4-6,21-24H2,1-3H3",YUIVBSWPTGSJKI-UHFFFAOYNA-N,C20H41N5O8,Not Found,479.575,-4.206320554,9,13,6,3,RNA aptamer J6 (109-mer),Will be updated soon.,9425088,,,,,,"Hamasaki K, Killian J, Cho J, Rando RR. Minimal RNA constructs that specifically bind aminoglycoside antibiotics with high affinities. Biochemistry. 1998 Jan 13;37(2):656-63. doi: 10.1021/bi971095t. PMID: 9425088.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9425088/,,,,,,Not Found,Yes,No,Experimental,DB04729,https://go.drugbank.com/drugs/DB04729,This is the isomeric form of the drug approved by USFDA.
DBoRL2428,Gentamycin,"6-[(4,6-diamino-3-{[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3-methyl-4-(methylamino)oxane-2,3,5-triol",CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CCC3N)C(C)N)C2O)OC(O)C1(C)O,"InChI=1/C20H41N5O8/c1-7(21)11-5-4-8(22)17(30-11)31-14-9(23)6-10(24)15(12(14)26)32-18-13(27)16(25-3)20(2,29)19(28)33-18/h7-19,25-29H,4-6,21-24H2,1-3H3",YUIVBSWPTGSJKI-UHFFFAOYNA-N,C20H41N5O8,Not Found,479.575,-4.206320554,9,13,6,3,RNA aptamer J6c (57-mer) ,Will be updated soon.,9425088,,,,,,"Hamasaki K, Killian J, Cho J, Rando RR. Minimal RNA constructs that specifically bind aminoglycoside antibiotics with high affinities. Biochemistry. 1998 Jan 13;37(2):656-63. doi: 10.1021/bi971095t. PMID: 9425088.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9425088/,,,,,,Not Found,Yes,No,Experimental,DB04729,https://go.drugbank.com/drugs/DB04729,This is the isomeric form of the drug approved by USFDA.
DBoRL2429,Gentamycin,"6-[(4,6-diamino-3-{[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3-methyl-4-(methylamino)oxane-2,3,5-triol",CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CCC3N)C(C)N)C2O)OC(O)C1(C)O,"InChI=1/C20H41N5O8/c1-7(21)11-5-4-8(22)17(30-11)31-14-9(23)6-10(24)15(12(14)26)32-18-13(27)16(25-3)20(2,29)19(28)33-18/h7-19,25-29H,4-6,21-24H2,1-3H3",YUIVBSWPTGSJKI-UHFFFAOYNA-N,C20H41N5O8,Not Found,479.575,-4.206320554,9,13,6,3,RNA aptamer J6f1 (40-mer),Will be updated soon.,9425088,,,,,,"Hamasaki K, Killian J, Cho J, Rando RR. Minimal RNA constructs that specifically bind aminoglycoside antibiotics with high affinities. Biochemistry. 1998 Jan 13;37(2):656-63. doi: 10.1021/bi971095t. PMID: 9425088.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9425088/,,,,,,Not Found,Yes,No,Experimental,DB04729,https://go.drugbank.com/drugs/DB04729,This is the isomeric form of the drug approved by USFDA.
DBoRL2430,Tobramycin,"4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol",[H]C1C(N)C(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)OC(CN)C1O,"InChI=1/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2",NLVFBUXFDBBNBW-UHFFFAOYNA-N,C18H37N5O9,Not Found,467.52,-6.477500565,10,14,6,3,RNA aptamer K8,Will be updated soon.,11459219,,,,,,"Kwon M, Chun SM, Jeong S, Yu J. In vitro selection of RNA against kanamycin B. Mol Cells. 2001 Jun 30;11(3):303-11. PMID: 11459219.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11459219/,,,,,,5496,Yes,Yes,Investigational,DB00684,https://go.drugbank.com/drugs/DB00684,
DBoRL2431,Kanamycin B,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O,"InChI=1/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2",SKKLOUVUUNMCJE-UHFFFAOYNA-N,C18H37N5O10,Not Found,483.519,-7.167795246,11,15,6,3,RNA aptamer K8,Will be updated soon.,11459219,,,,,,"Kwon M, Chun SM, Jeong S, Yu J. In vitro selection of RNA against kanamycin B. Mol Cells. 2001 Jun 30;11(3):303-11. PMID: 11459219.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11459219/,,,,,,816,Yes,No,Experimental,DB13673,https://go.drugbank.com/drugs/DB13673,
DBoRL2432,Kanamycin A,"2-(aminomethyl)-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2",SBUJHOSQTJFQJX-UHFFFAOYNA-N,C18H36N4O11,Not Found,484.503,-7.060913449,11,15,6,3,RNA aptamer K8,Will be updated soon.,11459219,,,,,,"Kwon M, Chun SM, Jeong S, Yu J. In vitro selection of RNA against kanamycin B. Mol Cells. 2001 Jun 30;11(3):303-11. PMID: 11459219.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11459219/,,,,,,815,Yes,Yes,Investigational Vet_approved,DB01172,https://go.drugbank.com/drugs/DB01172,
DBoRL2433,Neomycin B,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2",PGBHMTALBVVCIT-UHFFFAOYNA-N,C23H46N6O13,Not Found,614.65,-8.415177746,13,19,9,4,RNA aptamer K8,Will be updated soon.,11459219,,,,,,"Kwon M, Chun SM, Jeong S, Yu J. In vitro selection of RNA against kanamycin B. Mol Cells. 2001 Jun 30;11(3):303-11. PMID: 11459219.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11459219/,,,,,,4454,Yes,Yes,Experimental,DB13673,https://go.drugbank.com/drugs/DB13673,
DBoRL2434,Paromomycin,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2",UOZODPSAJZTQNH-UHFFFAOYNA-N,C23H45N5O14,Not Found,615.634,-8.308295949,13,19,9,4,RNA aptamer K8,Will be updated soon.,11459219,,,,,,"Kwon M, Chun SM, Jeong S, Yu J. In vitro selection of RNA against kanamycin B. Mol Cells. 2001 Jun 30;11(3):303-11. PMID: 11459219.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11459219/,,,,,,4689,Yes,Yes,Investigational,DB01421,https://go.drugbank.com/drugs/DB01421,
DBoRL2435,Erythromicin A,"6-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione",CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O,"InChI=1/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3",ULGZDMOVFRHVEP-UHFFFAOYNA-N,C37H67NO13,Not Found,733.937,2.596388847,5,13,7,3,J6 RNA aptamer ,Will be updated soon.,8823168,,,,,,"Wang Y, Killian J, Hamasaki K, Rando RR. RNA molecules that specifically and stoichiometrically bind aminoglycoside antibiotics with high affinities. Biochemistry. 1996 Sep 24;35(38):12338-46. doi: 10.1021/bi960878w. PMID: 8823168.",,,,,,https://pubmed.ncbi.nlm.nih.gov/8823168/,,,,,,3255,Yes,Yes,Investigational Vet_approved,DB00199,https://go.drugbank.com/drugs/DB00199,
DBoRL2436,5-Carboxytetramethylrhodamine-labeled tobramycin (CRT),"9-{4-[({5-amino-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3-hydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CCN(CC)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(N)CC2O)=[N+](C)C)=C1,"InChI=1/C45H61N7O13/c1-5-52(6-2)22-9-12-25-32(15-22)61-31-14-21(51(3)4)8-11-24(31)35(25)23-10-7-20(13-26(23)43(59)60)42(58)50-18-33-30(54)17-29(48)44(62-33)64-40-27(46)16-28(47)41(39(40)57)65-45-38(56)36(49)37(55)34(19-53)63-45/h7-15,27-30,33-34,36-41,44-45,53-57H,5-6,16-19,46-49H2,1-4H3,(H-,50,58,59,60)/p+1",GVXCWMBPIJULHS-UHFFFAOYNA-O,C45H62N7O13,Not Found,909.026,-5.829634897,11,18,12,7,"J6f1 RNA aptamer mutant (40 mer) J6fd6 G14G,C30U",Will be updated soon.,9538017,,,,,,"Cho J, Hamasaki K, Rando RR. The binding site of a specific aminoglycoside binding RNA molecule. Biochemistry. 1998 Apr 7;37(14):4985-92. doi: 10.1021/bi972757h. PMID: 9538017.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9538017/,,,,,,Not Found,No,No,,,,
DBoRL2437,Tobramycin,"4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2",NLVFBUXFDBBNBW-UHFFFAOYNA-N,C18H37N5O9,Not Found,467.52,-6.477500565,10,14,6,3,"J6f1 RNA aptamer mutant (40 mer) J6fd6 G14G,C30U",Will be updated soon.,9538017,,,,,,"Cho J, Hamasaki K, Rando RR. The binding site of a specific aminoglycoside binding RNA molecule. Biochemistry. 1998 Apr 7;37(14):4985-92. doi: 10.1021/bi972757h. PMID: 9538017.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9538017/,,,,,,5496,Yes,Yes,Investigational,DB00684,https://go.drugbank.com/drugs/DB00684,
DBoRL2438,5-Carboxytetramethylrhodamine-labeled tobramycin (CRT),"9-{4-[({5-amino-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3-hydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CCN(CC)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(N)CC2O)=[N+](C)C)=C1,"InChI=1/C45H61N7O13/c1-5-52(6-2)22-9-12-25-32(15-22)61-31-14-21(51(3)4)8-11-24(31)35(25)23-10-7-20(13-26(23)43(59)60)42(58)50-18-33-30(54)17-29(48)44(62-33)64-40-27(46)16-28(47)41(39(40)57)65-45-38(56)36(49)37(55)34(19-53)63-45/h7-15,27-30,33-34,36-41,44-45,53-57H,5-6,16-19,46-49H2,1-4H3,(H-,50,58,59,60)/p+1",GVXCWMBPIJULHS-UHFFFAOYNA-O,C45H62N7O13,Not Found,909.026,-5.829634897,11,18,12,7,J6f1 RNA aptamer mutant (40 mer)J6f15 A21G,Will be updated soon.,9538017,,,,,,"Cho J, Hamasaki K, Rando RR. The binding site of a specific aminoglycoside binding RNA molecule. Biochemistry. 1998 Apr 7;37(14):4985-92. doi: 10.1021/bi972757h. PMID: 9538017.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9538017/,,,,,,Not Found,No,No,,,,
DBoRL2439,Tobramycin,"4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2",NLVFBUXFDBBNBW-UHFFFAOYNA-N,C18H37N5O9,Not Found,467.52,-6.477500565,10,14,6,3,J6f1 RNA aptamer mutant (40 mer)J6f15 A21G,Will be updated soon.,9538017,,,,,,"Cho J, Hamasaki K, Rando RR. The binding site of a specific aminoglycoside binding RNA molecule. Biochemistry. 1998 Apr 7;37(14):4985-92. doi: 10.1021/bi972757h. PMID: 9538017.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9538017/,,,,,,5496,Yes,Yes,Investigational,DB00684,https://go.drugbank.com/drugs/DB00684,
DBoRL2440,5-Carboxytetramethylrhodamine-labeled tobramycin (CRT),"9-{4-[({5-amino-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3-hydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CCN(CC)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(N)CC2O)=[N+](C)C)=C1,"InChI=1/C45H61N7O13/c1-5-52(6-2)22-9-12-25-32(15-22)61-31-14-21(51(3)4)8-11-24(31)35(25)23-10-7-20(13-26(23)43(59)60)42(58)50-18-33-30(54)17-29(48)44(62-33)64-40-27(46)16-28(47)41(39(40)57)65-45-38(56)36(49)37(55)34(19-53)63-45/h7-15,27-30,33-34,36-41,44-45,53-57H,5-6,16-19,46-49H2,1-4H3,(H-,50,58,59,60)/p+1",GVXCWMBPIJULHS-UHFFFAOYNA-O,C45H62N7O13,Not Found,909.026,-5.829634897,11,18,12,7,J6f1 RNA aptamer mutant (40 mer)J6f16 G22A,Will be updated soon.,9538017,,,,,,"Cho J, Hamasaki K, Rando RR. The binding site of a specific aminoglycoside binding RNA molecule. Biochemistry. 1998 Apr 7;37(14):4985-92. doi: 10.1021/bi972757h. PMID: 9538017.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9538017/,,,,,,Not Found,No,No,,,,
DBoRL2441,Tobramycin,"4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2",NLVFBUXFDBBNBW-UHFFFAOYNA-N,C18H37N5O9,Not Found,467.52,-6.477500565,10,14,6,3,J6f1 RNA aptamer mutant (40 mer)J6f16 G22A,Will be updated soon.,9538017,,,,,,"Cho J, Hamasaki K, Rando RR. The binding site of a specific aminoglycoside binding RNA molecule. Biochemistry. 1998 Apr 7;37(14):4985-92. doi: 10.1021/bi972757h. PMID: 9538017.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9538017/,,,,,,5496,Yes,Yes,Investigational,DB00684,https://go.drugbank.com/drugs/DB00684,
DBoRL2442,5-Carboxytetramethylrhodamine-labeled tobramycin (CRT),"9-{4-[({5-amino-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3-hydroxyoxan-2-yl}methyl)carbamoyl]-2-carboxyphenyl}-6-(diethylamino)-N,N-dimethyl-3H-xanthen-3-iminium",CCN(CC)C1=CC=C2C(OC3=CC(C=CC3=C2C2=CC=C(C=C2C(O)=O)C(=O)NCC2OC(OC3C(N)CC(N)C(OC4OC(CO)C(O)C(N)C4O)C3O)C(N)CC2O)=[N+](C)C)=C1,"InChI=1/C45H61N7O13/c1-5-52(6-2)22-9-12-25-32(15-22)61-31-14-21(51(3)4)8-11-24(31)35(25)23-10-7-20(13-26(23)43(59)60)42(58)50-18-33-30(54)17-29(48)44(62-33)64-40-27(46)16-28(47)41(39(40)57)65-45-38(56)36(49)37(55)34(19-53)63-45/h7-15,27-30,33-34,36-41,44-45,53-57H,5-6,16-19,46-49H2,1-4H3,(H-,50,58,59,60)/p+1",GVXCWMBPIJULHS-UHFFFAOYNA-O,C45H62N7O13,Not Found,909.026,-5.829634897,11,18,12,7,J6f1 RNA aptamer mutant (40 mer)J6f17 C23U,Will be updated soon.,9538017,,,,,,"Cho J, Hamasaki K, Rando RR. The binding site of a specific aminoglycoside binding RNA molecule. Biochemistry. 1998 Apr 7;37(14):4985-92. doi: 10.1021/bi972757h. PMID: 9538017.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9538017/,,,,,,Not Found,No,No,,,,
DBoRL2443,Tobramycin,"4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O,"InChI=1/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2",NLVFBUXFDBBNBW-UHFFFAOYNA-N,C18H37N5O9,Not Found,467.52,-6.477500565,10,14,6,3,J6f1 RNA aptamer mutant (40 mer)J6f17 C23U,Will be updated soon.,9538017,,,,,,"Cho J, Hamasaki K, Rando RR. The binding site of a specific aminoglycoside binding RNA molecule. Biochemistry. 1998 Apr 7;37(14):4985-92. doi: 10.1021/bi972757h. PMID: 9538017.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9538017/,,,,,,5496,Yes,Yes,Investigational,DB00684,https://go.drugbank.com/drugs/DB00684,
DBoRL2444,Xanthine,"2,3,6,9-tetrahydro-1H-purine-2,6-dione",O=C1NC2=C(N=CN2)C(=O)N1,"InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)",LRFVTYWOQMYALW-UHFFFAOYSA-N,C5H4N4O2,"69-89-6,1262670-81-4,173793-02-7,173793-03-8,173793-05-0,173793-06-1,173793-08-3,51953-16-3,51953-25-4,51953-27-6",152.113,-0.246381111,3,3,0,2,32mer RNA xanthine-binding RNA(XBA): 5'-[GGGACCAGAGAAACACACCUUCGGGUGGUAUAUUACCUGGUAC]-3',Will be updated soon.,9512549,,,,,,"Kiga D, Futamura Y, Sakamoto K, Yokoyama S. An RNA aptamer to the xanthine/guanine base with a distinctive mode of purine recognition. Nucleic Acids Res. 1998 Apr 1;26(7):1755-60. doi: 10.1093/nar/26.7.1755. PMID: 9512549; PMCID: PMC147481.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9512549/,,,,,,1188,Yes,No,Experimental,DB02134,https://go.drugbank.com/drugs/DB02134,
DBoRL2445,Guanine,"2-amino-6,9-dihydro-1H-purin-6-one",NC1=NC2=C(N=CN2)C(=O)N1,"InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",UYTPUPDQBNUYGX-UHFFFAOYSA-N,C5H5N5O,"73-40-5,66224-61-1,66224-63-3,66224-64-4,71660-31-6,71660-36-1",151.129,-1.146267054,3,4,0,2,32mer RNA xanthine-binding RNA(XBA): 5'-[GGGACCAGAGAAACACACCUUCGGGUGGUAUAUUACCUGGUAC]-3',Will be updated soon.,9512549,,,,,,"Kiga D, Futamura Y, Sakamoto K, Yokoyama S. An RNA aptamer to the xanthine/guanine base with a distinctive mode of purine recognition. Nucleic Acids Res. 1998 Apr 1;26(7):1755-60. doi: 10.1093/nar/26.7.1755. PMID: 9512549; PMCID: PMC147481.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9512549/,,,,,,135398634,Yes,No,Experimental,DB02377,https://go.drugbank.com/drugs/DB02377,
DBoRL2446,Hypoxanthine,"6,9-dihydro-1H-purin-6-one",[H]C1=NC2=C(N=CN2)C(=O)N1,"InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)",FDGQSTZJBFJUBT-UHFFFAOYSA-N,C5H4N4O,"68-94-0,146469-94-5,146469-95-6,146445-70-7,51953-04-9,95121-06-5,1246820-04-1",136.114,-0.918586895,2,3,0,2,32mer RNA xanthine-binding RNA(XBA): 5'-[GGGACCAGAGAAACACACCUUCGGGUGGUAUAUUACCUGGUAC]-3',Will be updated soon.,9512549,,,,,,"Kiga D, Futamura Y, Sakamoto K, Yokoyama S. An RNA aptamer to the xanthine/guanine base with a distinctive mode of purine recognition. Nucleic Acids Res. 1998 Apr 1;26(7):1755-60. doi: 10.1093/nar/26.7.1755. PMID: 9512549; PMCID: PMC147481.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9512549/,,,,,,790,Yes,No,Experimental,DB04076,https://go.drugbank.com/drugs/DB04076,
DBoRL2447,Adenine,9H-purin-6-amine,[H]C1=NC2=C(N=CN2)C(N)=N1,"InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)",GFFGJBXGBJISGV-UHFFFAOYSA-N,C5H5N5,"73-24-5,134434-48-3,134434-49-4,134454-76-5,66224-66-6,134461-75-9,71660-30-5,66224-67-7,66224-69-9,71660-29-2,1217770-71-2",135.13,-0.53101273,2,4,0,2,32mer RNA xanthine-binding RNA(XBA): 5'-[GGGACCAGAGAAACACACCUUCGGGUGGUAUAUUACCUGGUAC]-3',Will be updated soon.,9512549,,,,,,"Kiga D, Futamura Y, Sakamoto K, Yokoyama S. An RNA aptamer to the xanthine/guanine base with a distinctive mode of purine recognition. Nucleic Acids Res. 1998 Apr 1;26(7):1755-60. doi: 10.1093/nar/26.7.1755. PMID: 9512549; PMCID: PMC147481.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9512549/,,,,,,190,Yes,Yes,Nutraceutical,DB00173,https://go.drugbank.com/drugs/DB00173,
DBoRL2448,1-Methyl xanthine,"1-methyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione",CN1C(=O)NC2=C(N=CN2)C1=O,"InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)",MVOYJPOZRLFTCP-UHFFFAOYSA-N,C6H6N4O2,6136-37-4,166.14,-0.022705045,2,3,0,2,32mer RNA xanthine-binding RNA(XBA): 5'-[GGGACCAGAGAAACACACCUUCGGGUGGUAUAUUACCUGGUAC]-3',Will be updated soon.,9512549,,,,,,"Kiga D, Futamura Y, Sakamoto K, Yokoyama S. An RNA aptamer to the xanthine/guanine base with a distinctive mode of purine recognition. Nucleic Acids Res. 1998 Apr 1;26(7):1755-60. doi: 10.1093/nar/26.7.1755. PMID: 9512549; PMCID: PMC147481.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9512549/,,,,,,80220,No,No,,,,
DBoRL2449,3-Methyl xanthine,"3-methyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione",CN1C2=C(N=CN2)C(=O)NC1=O,"InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)",GMSNIKWWOQHZGF-UHFFFAOYSA-N,C6H6N4O2,1076-22-8,166.14,-1.032315042,2,3,0,2,32mer RNA xanthine-binding RNA(XBA): 5'-[GGGACCAGAGAAACACACCUUCGGGUGGUAUAUUACCUGGUAC]-3',Will be updated soon.,9512549,,,,,,"Kiga D, Futamura Y, Sakamoto K, Yokoyama S. An RNA aptamer to the xanthine/guanine base with a distinctive mode of purine recognition. Nucleic Acids Res. 1998 Apr 1;26(7):1755-60. doi: 10.1093/nar/26.7.1755. PMID: 9512549; PMCID: PMC147481.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9512549/,,,,,,70639,No,No,,,,
DBoRL2450,7-Methyl xanthine,"7-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione",CN1C=NC2=C1C(=O)NC(=O)N2,"InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)",PFWLFWPASULGAN-UHFFFAOYSA-N,C6H6N4O2,552-62-5,166.14,0.016612274,2,3,0,2,32mer RNA xanthine-binding RNA(XBA): 5'-[GGGACCAGAGAAACACACCUUCGGGUGGUAUAUUACCUGGUAC]-3',Will be updated soon.,9512549,,,,,,"Kiga D, Futamura Y, Sakamoto K, Yokoyama S. An RNA aptamer to the xanthine/guanine base with a distinctive mode of purine recognition. Nucleic Acids Res. 1998 Apr 1;26(7):1755-60. doi: 10.1093/nar/26.7.1755. PMID: 9512549; PMCID: PMC147481.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9512549/,,,,,,68374,No,No,,,,
DBoRL2451,Guanosine,"2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one",NC1=NC2=C(N=CN2C2OC(CO)C(O)C2O)C(=O)N1,"InChI=1/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)",NYHBQMYGNKIUIF-UHFFFAOYNA-N,C10H13N5O5,Not Found,283.244,-2.706218196,5,8,2,3,32mer RNA xanthine-binding RNA(XBA): 5'-[GGGACCAGAGAAACACACCUUCGGGUGGUAUAUUACCUGGUAC]-3',Will be updated soon.,9512549,,,,,,"Kiga D, Futamura Y, Sakamoto K, Yokoyama S. An RNA aptamer to the xanthine/guanine base with a distinctive mode of purine recognition. Nucleic Acids Res. 1998 Apr 1;26(7):1755-60. doi: 10.1093/nar/26.7.1755. PMID: 9512549; PMCID: PMC147481.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9512549/,,,,,,765,Yes,No,Experimental Investigational,DB02857,https://go.drugbank.com/drugs/DB02857,
DBoRL2452,Dopamine,"4-(2-aminoethyl)benzene-1,2-diol",NCCC1=CC(O)=C(O)C=C1,"InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2",VYFYYTLLBUKUHU-UHFFFAOYSA-N,C8H11NO2,"51-61-6,86389-83-5,50444-17-2",153.181,0.194846135,3,3,2,1,dopa2/c.1 RNA aptamer,Will be updated soon.,9245404,,,,,,"Mannironi C, Di Nardo A, Fruscoloni P, Tocchini-Valentini GP. In vitro selection of dopamine RNA ligands. Biochemistry. 1997 Aug 12;36(32):9726-34. doi: 10.1021/bi9700633. PMID: 9245404.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9245404/,,,,,,681,Yes,Yes,,DB00988,https://go.drugbank.com/drugs/DB00988,
DBoRL2453,L-Dopa,"2-amino-3-(3,4-dihydroxyphenyl)propanoic acid",NC(CC1=CC(O)=C(O)C=C1)C(O)=O,"InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)",WTDRDQBEARUVNC-UHFFFAOYNA-N,C9H11NO4,Not Found,197.19,-1.792181451,4,5,3,1,dopa2/c.1 RNA aptamer,Will be updated soon.,9245404,,,,,,"Mannironi C, Di Nardo A, Fruscoloni P, Tocchini-Valentini GP. In vitro selection of dopamine RNA ligands. Biochemistry. 1997 Aug 12;36(32):9726-34. doi: 10.1021/bi9700633. PMID: 9245404.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9245404/,,,,,,836,Yes,Yes,,DB01235,https://go.drugbank.com/drugs/DB01235,
DBoRL2454,3- O-methyldopamine,4-(2-aminoethyl)-2-methoxyphenol,COC1=C(O)C=CC(CCN)=C1,"InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3",DIVQKHQLANKJQO-UHFFFAOYSA-N,C9H13NO2,554-52-9,167.208,0.67653713,2,3,3,1,dopa2/c.1 RNA aptamer,Will be updated soon.,9245404,,,,,,"Mannironi C, Di Nardo A, Fruscoloni P, Tocchini-Valentini GP. In vitro selection of dopamine RNA ligands. Biochemistry. 1997 Aug 12;36(32):9726-34. doi: 10.1021/bi9700633. PMID: 9245404.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9245404/,,,,,,1669,No,No,,,,
DBoRL2455,Tyramine,4-(2-aminoethyl)phenol,NCCC1=CC=C(O)C=C1,"InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2",DZGWFCGJZKJUFP-UHFFFAOYSA-N,C8H11NO,51-67-2,137.182,0.604889991,2,2,2,1,dopa2/c.1 RNA aptamer,Will be updated soon.,9245404,,,,,,"Mannironi C, Di Nardo A, Fruscoloni P, Tocchini-Valentini GP. In vitro selection of dopamine RNA ligands. Biochemistry. 1997 Aug 12;36(32):9726-34. doi: 10.1021/bi9700633. PMID: 9245404.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9245404/,,,,,,5610,Yes,No,Investigational Nutraceutical,DB08841,https://go.drugbank.com/drugs/DB08841,
DBoRL2456,Neomycin B,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",[H]NC1C(O)C(O)C(CN)OC1OC1C(CO)OC(OC2C(O)C(N)CC(N)C2OC2OC(CN)C(O)C(O)C2N)C1O,"InChI=1/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2",PGBHMTALBVVCIT-UHFFFAOYNA-N,C23H46N6O13,Not Found,614.65,-8.415177746,13,19,9,4,lividomycin-binding RNA aptamers sla 352,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,4454,Yes,Yes,,DB00452,https://go.drugbank.com/drugs/DB00452,
DBoRL2457,Neomycin B,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",[H]NC1C(O)C(O)C(CN)OC1OC1C(CO)OC(OC2C(O)C(N)CC(N)C2OC2OC(CN)C(O)C(O)C2N)C1O,"InChI=1/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2",PGBHMTALBVVCIT-UHFFFAOYNA-N,C23H46N6O13,Not Found,614.65,-8.415177746,13,19,9,4,lividomycin-binding RNA aptamers sla 355,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,4454,Yes,Yes,,DB00452,https://go.drugbank.com/drugs/DB00452,
DBoRL2458,Neomycin B,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",[H]NC1C(O)C(O)C(CN)OC1OC1C(CO)OC(OC2C(O)C(N)CC(N)C2OC2OC(CN)C(O)C(O)C2N)C1O,"InChI=1/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2",PGBHMTALBVVCIT-UHFFFAOYNA-N,C23H46N6O13,Not Found,614.65,-8.415177746,13,19,9,4,lividomycin-binding RNA aptamers SIS453,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,4454,Yes,Yes,,DB00452,https://go.drugbank.com/drugs/DB00452,
DBoRL2459,Neomycin B,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",[H]NC1C(O)C(O)C(CN)OC1OC1C(CO)OC(OC2C(O)C(N)CC(N)C2OC2OC(CN)C(O)C(O)C2N)C1O,"InChI=1/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2",PGBHMTALBVVCIT-UHFFFAOYNA-N,C23H46N6O13,Not Found,614.65,-8.415177746,13,19,9,4,lividomycin-binding RNA aptamers SIS457,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,4454,Yes,Yes,,DB00452,https://go.drugbank.com/drugs/DB00452,
DBoRL2460,Neomycin B,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",[H]NC1C(O)C(O)C(CN)OC1OC1C(CO)OC(OC2C(O)C(N)CC(N)C2OC2OC(CN)C(O)C(O)C2N)C1O,"InChI=1/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2",PGBHMTALBVVCIT-UHFFFAOYNA-N,C23H46N6O13,Not Found,614.65,-8.415177746,13,19,9,4,lividomycin-binding RNA aptamers sls458,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,4454,Yes,Yes,,DB00452,https://go.drugbank.com/drugs/DB00452,
DBoRL2461,Neomycin B,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",[H]NC1C(O)C(O)C(CN)OC1OC1C(CO)OC(OC2C(O)C(N)CC(N)C2OC2OC(CN)C(O)C(O)C2N)C1O,"InChI=1/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2",PGBHMTALBVVCIT-UHFFFAOYNA-N,C23H46N6O13,Not Found,614.65,-8.415177746,13,19,9,4,lividomycin-binding RNA aptamers sls 460,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,4454,Yes,Yes,,DB00452,https://go.drugbank.com/drugs/DB00452,
DBoRL2462,Paromomycin,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2",UOZODPSAJZTQNH-UHFFFAOYNA-N,C23H45N5O14,Not Found,615.634,-8.308295949,13,19,9,4,lividomycin-binding RNA aptamers sla 352,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,4689,Yes,Yes,Investigational,DB01421,https://go.drugbank.com/drugs/DB01421,
DBoRL2463,Paromomycin,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2",UOZODPSAJZTQNH-UHFFFAOYNA-N,C23H45N5O14,Not Found,615.634,-8.308295949,13,19,9,4,lividomycin-binding RNA aptamers sla 355,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,4689,Yes,Yes,Investigational,DB01421,https://go.drugbank.com/drugs/DB01421,
DBoRL2464,Paromomycin,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2",UOZODPSAJZTQNH-UHFFFAOYNA-N,C23H45N5O14,Not Found,615.634,-8.308295949,13,19,9,4,lividomycin-binding RNA aptamers SIS453,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,4689,Yes,Yes,Investigational,DB01421,https://go.drugbank.com/drugs/DB01421,
DBoRL2465,Paromomycin,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2",UOZODPSAJZTQNH-UHFFFAOYNA-N,C23H45N5O14,Not Found,615.634,-8.308295949,13,19,9,4,lividomycin-binding RNA aptamers SIS457,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,4689,Yes,Yes,Investigational,DB01421,https://go.drugbank.com/drugs/DB01421,
DBoRL2466,Paromomycin,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2",UOZODPSAJZTQNH-UHFFFAOYNA-N,C23H45N5O14,Not Found,615.634,-8.308295949,13,19,9,4,lividomycin-binding RNA aptamers sls458,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,4689,Yes,Yes,Investigational,DB01421,https://go.drugbank.com/drugs/DB01421,
DBoRL2467,Paromomycin,"5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diol",NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O,"InChI=1/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2",UOZODPSAJZTQNH-UHFFFAOYNA-N,C23H45N5O14,Not Found,615.634,-8.308295949,13,19,9,4,lividomycin-binding RNA aptamers sls 460,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,4689,Yes,Yes,Investigational,DB01421,https://go.drugbank.com/drugs/DB01421,
DBoRL2468,Ribostamycin,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(O)C2O)C(N)C(O)C1O,"InChI=1/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2",NSKGQURZWSPSBC-UHFFFAOYNA-N,C17H34N4O10,Not Found,454.477,-6.430578507,10,14,6,3,lividomycin-binding RNA aptamers sla 352,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,5066,Yes,Yes,Experimental,DB03615,https://go.drugbank.com/drugs/DB03615,
DBoRL2469,Ribostamycin,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(O)C2O)C(N)C(O)C1O,"InChI=1/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2",NSKGQURZWSPSBC-UHFFFAOYNA-N,C17H34N4O10,Not Found,454.477,-6.430578507,10,14,6,3,lividomycin-binding RNA aptamers sla 355,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,5066,Yes,Yes,Experimental,DB03615,https://go.drugbank.com/drugs/DB03615,
DBoRL2470,Ribostamycin,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(O)C2O)C(N)C(O)C1O,"InChI=1/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2",NSKGQURZWSPSBC-UHFFFAOYNA-N,C17H34N4O10,Not Found,454.477,-6.430578507,10,14,6,3,lividomycin-binding RNA aptamers SIS453,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,5066,Yes,Yes,Experimental,DB03615,https://go.drugbank.com/drugs/DB03615,
DBoRL2471,Ribostamycin,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(O)C2O)C(N)C(O)C1O,"InChI=1/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2",NSKGQURZWSPSBC-UHFFFAOYNA-N,C17H34N4O10,Not Found,454.477,-6.430578507,10,14,6,3,lividomycin-binding RNA aptamers SIS457,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,5066,Yes,Yes,Experimental,DB03615,https://go.drugbank.com/drugs/DB03615,
DBoRL2472,Ribostamycin,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(O)C2O)C(N)C(O)C1O,"InChI=1/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2",NSKGQURZWSPSBC-UHFFFAOYNA-N,C17H34N4O10,Not Found,454.477,-6.430578507,10,14,6,3,lividomycin-binding RNA aptamers sls458,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,5066,Yes,Yes,Experimental,DB03615,https://go.drugbank.com/drugs/DB03615,
DBoRL2473,Ribostamycin,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(O)C2O)C(N)C(O)C1O,"InChI=1/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2",NSKGQURZWSPSBC-UHFFFAOYNA-N,C17H34N4O10,Not Found,454.477,-6.430578507,10,14,6,3,lividomycin-binding RNA aptamers sls 460,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,5066,Yes,Yes,Experimental,DB03615,https://go.drugbank.com/drugs/DB03615,
DBoRL2474,Kanamycin A,"2-(aminomethyl)-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2",SBUJHOSQTJFQJX-UHFFFAOYNA-N,C18H36N4O11,Not Found,484.503,-7.060913449,11,15,6,3,lividomycin-binding RNA aptamers sla 352,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,815,Yes,Yes,Investigational Vet_approved,DB01172,https://go.drugbank.com/drugs/DB01172,
DBoRL2475,Kanamycin A,"2-(aminomethyl)-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2",SBUJHOSQTJFQJX-UHFFFAOYNA-N,C18H36N4O11,Not Found,484.503,-7.060913449,11,15,6,3,lividomycin-binding RNA aptamers sla 355,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,815,Yes,Yes,Investigational Vet_approved,DB01172,https://go.drugbank.com/drugs/DB01172,
DBoRL2476,Kanamycin A,"2-(aminomethyl)-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2",SBUJHOSQTJFQJX-UHFFFAOYNA-N,C18H36N4O11,Not Found,484.503,-7.060913449,11,15,6,3,lividomycin-binding RNA aptamers SIS453,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,815,Yes,Yes,Investigational Vet_approved,DB01172,https://go.drugbank.com/drugs/DB01172,
DBoRL2477,Kanamycin A,"2-(aminomethyl)-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2",SBUJHOSQTJFQJX-UHFFFAOYNA-N,C18H36N4O11,Not Found,484.503,-7.060913449,11,15,6,3,lividomycin-binding RNA aptamers SIS457,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,815,Yes,Yes,Investigational Vet_approved,DB01172,https://go.drugbank.com/drugs/DB01172,
DBoRL2478,Kanamycin A,"2-(aminomethyl)-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2",SBUJHOSQTJFQJX-UHFFFAOYNA-N,C18H36N4O11,Not Found,484.503,-7.060913449,11,15,6,3,lividomycin-binding RNA aptamers sls458,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,815,Yes,Yes,Investigational Vet_approved,DB01172,https://go.drugbank.com/drugs/DB01172,
DBoRL2479,Kanamycin A,"2-(aminomethyl)-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,4,5-triol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O,"InChI=1/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2",SBUJHOSQTJFQJX-UHFFFAOYNA-N,C18H36N4O11,Not Found,484.503,-7.060913449,11,15,6,3,lividomycin-binding RNA aptamers sls 460,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,815,Yes,Yes,Investigational Vet_approved,DB01172,https://go.drugbank.com/drugs/DB01172,
DBoRL2480,Streptomycin,"N-{3-carbamimidamido-4-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-2,5,6-trihydroxycyclohexyl}guanidine",CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(NC(N)=N)C(O)C2NC(N)=N)OC(C)C1(O)C=O,"InChI=1/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)",UCSJYZPVAKXKNQ-UHFFFAOYNA-N,C21H39N7O12,Not Found,581.58,-7.191810438,14,19,9,3,lividomycin-binding RNA aptamers sla 352,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,5297,Yes,Yes,Vet_approved,DB01082,https://go.drugbank.com/drugs/DB01082,
DBoRL2481,Streptomycin,"N-{3-carbamimidamido-4-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-2,5,6-trihydroxycyclohexyl}guanidine",CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(NC(N)=N)C(O)C2NC(N)=N)OC(C)C1(O)C=O,"InChI=1/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)",UCSJYZPVAKXKNQ-UHFFFAOYNA-N,C21H39N7O12,Not Found,581.58,-7.191810438,14,19,9,3,lividomycin-binding RNA aptamers sla 355,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,5297,Yes,Yes,Vet_approved,DB01082,https://go.drugbank.com/drugs/DB01082,
DBoRL2482,Streptomycin,"N-{3-carbamimidamido-4-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-2,5,6-trihydroxycyclohexyl}guanidine",CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(NC(N)=N)C(O)C2NC(N)=N)OC(C)C1(O)C=O,"InChI=1/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)",UCSJYZPVAKXKNQ-UHFFFAOYNA-N,C21H39N7O12,Not Found,581.58,-7.191810438,14,19,9,3,lividomycin-binding RNA aptamers SIS453,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,5297,Yes,Yes,Vet_approved,DB01082,https://go.drugbank.com/drugs/DB01082,
DBoRL2483,Streptomycin,"N-{3-carbamimidamido-4-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-2,5,6-trihydroxycyclohexyl}guanidine",CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(NC(N)=N)C(O)C2NC(N)=N)OC(C)C1(O)C=O,"InChI=1/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)",UCSJYZPVAKXKNQ-UHFFFAOYNA-N,C21H39N7O12,Not Found,581.58,-7.191810438,14,19,9,3,lividomycin-binding RNA aptamers SIS457,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,5297,Yes,Yes,Vet_approved,DB01082,https://go.drugbank.com/drugs/DB01082,
DBoRL2484,Streptomycin,"N-{3-carbamimidamido-4-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-2,5,6-trihydroxycyclohexyl}guanidine",CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(NC(N)=N)C(O)C2NC(N)=N)OC(C)C1(O)C=O,"InChI=1/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)",UCSJYZPVAKXKNQ-UHFFFAOYNA-N,C21H39N7O12,Not Found,581.58,-7.191810438,14,19,9,3,lividomycin-binding RNA aptamers sls458,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,5297,Yes,Yes,Vet_approved,DB01082,https://go.drugbank.com/drugs/DB01082,
DBoRL2485,Streptomycin,"N-{3-carbamimidamido-4-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-2,5,6-trihydroxycyclohexyl}guanidine",CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(NC(N)=N)C(O)C2NC(N)=N)OC(C)C1(O)C=O,"InChI=1/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)",UCSJYZPVAKXKNQ-UHFFFAOYNA-N,C21H39N7O12,Not Found,581.58,-7.191810438,14,19,9,3,lividomycin-binding RNA aptamers sls 460,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,5297,Yes,Yes,Vet_approved,DB01082,https://go.drugbank.com/drugs/DB01082,
DBoRL2486,Dibekacin,"4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol",[H]C1C([H])C(CN)OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C1N,"InChI=1/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2",JJCQSGDBDPYCEO-UHFFFAOYNA-N,C18H37N5O8,Not Found,451.521,-5.329802952,9,13,6,3,kanamycin-binding RNA aptamers sla 110,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,3021,Yes,Yes,,DB13270,https://go.drugbank.com/drugs/DB13270,
DBoRL2487,Dibekacin,"4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol",[H]C1C([H])C(CN)OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C1N,"InChI=1/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2",JJCQSGDBDPYCEO-UHFFFAOYNA-N,C18H37N5O8,Not Found,451.521,-5.329802952,9,13,6,3,kanamycin-binding RNA aptamers sla 150,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,3021,Yes,Yes,,DB13270,https://go.drugbank.com/drugs/DB13270,
DBoRL2488,Dibekacin,"4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol",[H]C1C([H])C(CN)OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C1N,"InChI=1/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2",JJCQSGDBDPYCEO-UHFFFAOYNA-N,C18H37N5O8,Not Found,451.521,-5.329802952,9,13,6,3,kanamycin-binding RNA aptamers sla 151,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,3021,Yes,Yes,,DB13270,https://go.drugbank.com/drugs/DB13270,
DBoRL2489,Dibekacin,"4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol",[H]C1C([H])C(CN)OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C1N,"InChI=1/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2",JJCQSGDBDPYCEO-UHFFFAOYNA-N,C18H37N5O8,Not Found,451.521,-5.329802952,9,13,6,3,kanamycin-binding RNA aptamers SIS21,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,3021,Yes,Yes,,DB13270,https://go.drugbank.com/drugs/DB13270,
DBoRL2490,Dibekacin,"4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol",[H]C1C([H])C(CN)OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C1N,"InChI=1/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2",JJCQSGDBDPYCEO-UHFFFAOYNA-N,C18H37N5O8,Not Found,451.521,-5.329802952,9,13,6,3,kanamycin-binding RNA aptamers sls 26,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,3021,Yes,Yes,,DB13270,https://go.drugbank.com/drugs/DB13270,
DBoRL2491,Dibekacin,"4-amino-2-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,5-diol",[H]C1C([H])C(CN)OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C1N,"InChI=1/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2",JJCQSGDBDPYCEO-UHFFFAOYNA-N,C18H37N5O8,Not Found,451.521,-5.329802952,9,13,6,3,kanamycin-binding RNA aptamers sls 254,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,3021,Yes,Yes,,DB13270,https://go.drugbank.com/drugs/DB13270,
DBoRL2492,Bekanamycin,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O,"InChI=1/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2",SKKLOUVUUNMCJE-UHFFFAOYNA-N,C18H37N5O10,Not Found,483.519,-7.167795246,11,15,6,3,kanamycin-binding RNA aptamers sla 110,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,816,Yes,No,Experimental,DB13673,https://go.drugbank.com/drugs/DB13673,
DBoRL2493,Bekanamycin,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O,"InChI=1/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2",SKKLOUVUUNMCJE-UHFFFAOYNA-N,C18H37N5O10,Not Found,483.519,-7.167795246,11,15,6,3,kanamycin-binding RNA aptamers sla 150,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,816,Yes,No,Experimental,DB13673,https://go.drugbank.com/drugs/DB13673,
DBoRL2494,Bekanamycin,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O,"InChI=1/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2",SKKLOUVUUNMCJE-UHFFFAOYNA-N,C18H37N5O10,Not Found,483.519,-7.167795246,11,15,6,3,kanamycin-binding RNA aptamers sla 151,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,816,Yes,No,Experimental,DB13673,https://go.drugbank.com/drugs/DB13673,
DBoRL2495,Bekanamycin,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O,"InChI=1/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2",SKKLOUVUUNMCJE-UHFFFAOYNA-N,C18H37N5O10,Not Found,483.519,-7.167795246,11,15,6,3,kanamycin-binding RNA aptamers SIS21,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,816,Yes,No,Experimental,DB13673,https://go.drugbank.com/drugs/DB13673,
DBoRL2496,Bekanamycin,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O,"InChI=1/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2",SKKLOUVUUNMCJE-UHFFFAOYNA-N,C18H37N5O10,Not Found,483.519,-7.167795246,11,15,6,3,kanamycin-binding RNA aptamers sls 26,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,816,Yes,No,Experimental,DB13673,https://go.drugbank.com/drugs/DB13673,
DBoRL2497,Bekanamycin,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-3-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O,"InChI=1/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2",SKKLOUVUUNMCJE-UHFFFAOYNA-N,C18H37N5O10,Not Found,483.519,-7.167795246,11,15,6,3,kanamycin-binding RNA aptamers sls 254,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,816,Yes,No,Experimental,DB13673,https://go.drugbank.com/drugs/DB13673,
DBoRL2498,Amikacin,"4-amino-N-(5-amino-2-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxycyclohexyl)-2-hydroxybutanamide",NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)",LKCWBDHBTVXHDL-UHFFFAOYNA-N,C22H43N5O13,Not Found,585.608,-8.584382674,13,17,10,3,kanamycin-binding RNA aptamers sla 110,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,2142,Yes,Yes,Investigational Vet_approved,DB00479,https://go.drugbank.com/drugs/DB00479,
DBoRL2499,Amikacin,"4-amino-N-(5-amino-2-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxycyclohexyl)-2-hydroxybutanamide",NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)",LKCWBDHBTVXHDL-UHFFFAOYNA-N,C22H43N5O13,Not Found,585.608,-8.584382674,13,17,10,3,kanamycin-binding RNA aptamers sla 150,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,2142,Yes,Yes,Investigational Vet_approved,DB00479,https://go.drugbank.com/drugs/DB00479,
DBoRL2500,Amikacin,"4-amino-N-(5-amino-2-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxycyclohexyl)-2-hydroxybutanamide",NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)",LKCWBDHBTVXHDL-UHFFFAOYNA-N,C22H43N5O13,Not Found,585.608,-8.584382674,13,17,10,3,kanamycin-binding RNA aptamers sla 151,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,2142,Yes,Yes,Investigational Vet_approved,DB00479,https://go.drugbank.com/drugs/DB00479,
DBoRL2501,Amikacin,"4-amino-N-(5-amino-2-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxycyclohexyl)-2-hydroxybutanamide",NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)",LKCWBDHBTVXHDL-UHFFFAOYNA-N,C22H43N5O13,Not Found,585.608,-8.584382674,13,17,10,3,kanamycin-binding RNA aptamers SIS21,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,2142,Yes,Yes,Investigational Vet_approved,DB00479,https://go.drugbank.com/drugs/DB00479,
DBoRL2502,Amikacin,"4-amino-N-(5-amino-2-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxycyclohexyl)-2-hydroxybutanamide",NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)",LKCWBDHBTVXHDL-UHFFFAOYNA-N,C22H43N5O13,Not Found,585.608,-8.584382674,13,17,10,3,kanamycin-binding RNA aptamers sls 26,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,2142,Yes,Yes,Investigational Vet_approved,DB00479,https://go.drugbank.com/drugs/DB00479,
DBoRL2503,Amikacin,"4-amino-N-(5-amino-2-{[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxycyclohexyl)-2-hydroxybutanamide",NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,"InChI=1/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)",LKCWBDHBTVXHDL-UHFFFAOYNA-N,C22H43N5O13,Not Found,585.608,-8.584382674,13,17,10,3,kanamycin-binding RNA aptamers sls 254,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,2142,Yes,Yes,Investigational Vet_approved,DB00479,https://go.drugbank.com/drugs/DB00479,
DBoRL2504,Ribostamycin,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(O)C2O)C(N)C(O)C1O,"InChI=1/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2",NSKGQURZWSPSBC-UHFFFAOYNA-N,C17H34N4O10,Not Found,454.477,-6.430578507,10,14,6,3,kanamycin-binding RNA aptamers sla 110,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,5066,Yes,Yes,Experimental,DB03615,https://go.drugbank.com/drugs/DB03615,
DBoRL2505,Ribostamycin,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(O)C2O)C(N)C(O)C1O,"InChI=1/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2",NSKGQURZWSPSBC-UHFFFAOYNA-N,C17H34N4O10,Not Found,454.477,-6.430578507,10,14,6,3,kanamycin-binding RNA aptamers sla 150,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,5066,Yes,Yes,Experimental,DB03615,https://go.drugbank.com/drugs/DB03615,
DBoRL2506,Ribostamycin,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(O)C2O)C(N)C(O)C1O,"InChI=1/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2",NSKGQURZWSPSBC-UHFFFAOYNA-N,C17H34N4O10,Not Found,454.477,-6.430578507,10,14,6,3,kanamycin-binding RNA aptamers sla 151,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,5066,Yes,Yes,Experimental,DB03615,https://go.drugbank.com/drugs/DB03615,
DBoRL2507,Ribostamycin,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(O)C2O)C(N)C(O)C1O,"InChI=1/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2",NSKGQURZWSPSBC-UHFFFAOYNA-N,C17H34N4O10,Not Found,454.477,-6.430578507,10,14,6,3,kanamycin-binding RNA aptamers SIS21,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,5066,Yes,Yes,Experimental,DB03615,https://go.drugbank.com/drugs/DB03615,
DBoRL2508,Ribostamycin,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(O)C2O)C(N)C(O)C1O,"InChI=1/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2",NSKGQURZWSPSBC-UHFFFAOYNA-N,C17H34N4O10,Not Found,454.477,-6.430578507,10,14,6,3,kanamycin-binding RNA aptamers sls 26,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,5066,Yes,Yes,Experimental,DB03615,https://go.drugbank.com/drugs/DB03615,
DBoRL2509,Ribostamycin,"5-amino-2-(aminomethyl)-6-[(4,6-diamino-2-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl)oxy]oxane-3,4-diol",NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(O)C2O)C(N)C(O)C1O,"InChI=1/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2",NSKGQURZWSPSBC-UHFFFAOYNA-N,C17H34N4O10,Not Found,454.477,-6.430578507,10,14,6,3,kanamycin-binding RNA aptamers sls 254,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,5066,Yes,Yes,Experimental,DB03615,https://go.drugbank.com/drugs/DB03615,
DBoRL2510,Streptomycin,"N-{3-carbamimidamido-4-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-2,5,6-trihydroxycyclohexyl}guanidine",CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(NC(N)=N)C(O)C2NC(N)=N)OC(C)C1(O)C=O,"InChI=1/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)",UCSJYZPVAKXKNQ-UHFFFAOYNA-N,C21H39N7O12,Not Found,581.58,-7.191810438,14,19,9,3,kanamycin-binding RNA aptamers sla 110,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,5297,Yes,Yes,Vet_approved,DB01082,https://go.drugbank.com/drugs/DB01082,
DBoRL2511,Streptomycin,"N-{3-carbamimidamido-4-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-2,5,6-trihydroxycyclohexyl}guanidine",CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(NC(N)=N)C(O)C2NC(N)=N)OC(C)C1(O)C=O,"InChI=1/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)",UCSJYZPVAKXKNQ-UHFFFAOYNA-N,C21H39N7O12,Not Found,581.58,-7.191810438,14,19,9,3,kanamycin-binding RNA aptamers sla 150,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,5297,Yes,Yes,Vet_approved,DB01082,https://go.drugbank.com/drugs/DB01082,
DBoRL2512,Streptomycin,"N-{3-carbamimidamido-4-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-2,5,6-trihydroxycyclohexyl}guanidine",CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(NC(N)=N)C(O)C2NC(N)=N)OC(C)C1(O)C=O,"InChI=1/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)",UCSJYZPVAKXKNQ-UHFFFAOYNA-N,C21H39N7O12,Not Found,581.58,-7.191810438,14,19,9,3,kanamycin-binding RNA aptamers sla 151,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,5297,Yes,Yes,Vet_approved,DB01082,https://go.drugbank.com/drugs/DB01082,
DBoRL2513,Streptomycin,"N-{3-carbamimidamido-4-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-2,5,6-trihydroxycyclohexyl}guanidine",CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(NC(N)=N)C(O)C2NC(N)=N)OC(C)C1(O)C=O,"InChI=1/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)",UCSJYZPVAKXKNQ-UHFFFAOYNA-N,C21H39N7O12,Not Found,581.58,-7.191810438,14,19,9,3,kanamycin-binding RNA aptamers SIS21,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,5297,Yes,Yes,Vet_approved,DB01082,https://go.drugbank.com/drugs/DB01082,
DBoRL2514,Streptomycin,"N-{3-carbamimidamido-4-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-2,5,6-trihydroxycyclohexyl}guanidine",CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(NC(N)=N)C(O)C2NC(N)=N)OC(C)C1(O)C=O,"InChI=1/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)",UCSJYZPVAKXKNQ-UHFFFAOYNA-N,C21H39N7O12,Not Found,581.58,-7.191810438,14,19,9,3,kanamycin-binding RNA aptamers sls 26,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,5297,Yes,Yes,Vet_approved,DB01082,https://go.drugbank.com/drugs/DB01082,
DBoRL2515,Streptomycin,"N-{3-carbamimidamido-4-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-2,5,6-trihydroxycyclohexyl}guanidine",CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(NC(N)=N)C(O)C2NC(N)=N)OC(C)C1(O)C=O,"InChI=1/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)",UCSJYZPVAKXKNQ-UHFFFAOYNA-N,C21H39N7O12,Not Found,581.58,-7.191810438,14,19,9,3,kanamycin-binding RNA aptamers sls 254,Will be updated soon.,9383431,,,,,,"Lato SM, Boles AR, Ellington AD. In vitro selection of RNA lectins: using combinatorial chemistry to interpret ribozyme evolution. Chem Biol. 1995 May;2(5):291-303. doi: 10.1016/1074-5521(95)90048-9. PMID: 9383431.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9383431/,,,,,,5297,Yes,Yes,Vet_approved,DB01082,https://go.drugbank.com/drugs/DB01082,
DBoRL2516,5FDQD,"10-[3-(4-fluorophenyl)butyl]-7,8-dimethyl-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione",CC1=C(C)C=C(N(CCC(C)C2=CC=C(F)C=C2)C(C3=N4)=NC(NC3=O)=O)C4=C1,"InChI=1/C22H21FN4O2/c1-12(15-4-6-16(23)7-5-15)8-9-27-18-11-14(3)13(2)10-17(18)24-19-20(27)25-22(29)26-21(19)28/h4-7,10-12H,8-9H2,1-3H3,(H,26,28,29)",ZAFGRFITWKTBCG-UHFFFAOYNA-N,C22H21FN4O2,Not Found,392.434,4.551990598,1,5,4,4,Flavin Mononucleotide (FMN) Riboswitch,Will be updated soon.,26169403,30107111,,,,,"1) Blount KF, Megyola C, Plummer M, Osterman D, O'Connell T, Aristoff P, Quinn C, Chrusciel RA, Poel TJ, Schostarez HJ, Stewart CA, Walker DP, Wuts PG, Breaker RR. Novel riboswitch-binding flavin analog that protects mice against Clostridium difficile infection without inhibiting cecal flora. Antimicrob Agents Chemother. 2015 Sep;59(9):5736-46. doi: 10.1128/AAC.01282-15. Epub 2015 Jul 13. PMID: 26169403; PMCID: PMC4538501.","2) Vicens Q, Mondrag?n E, Reyes FE, Coish P, Aristoff P, Berman J, Kaur H, Kells KW, Wickens P, Wilson J, Gadwood RC, Schostarez HJ, Suto RK, Blount KF, Batey RT. Structure-Activity Relationship of Flavin Analogues That Target the Flavin Mononucleotide Riboswitch. ACS Chem Biol. 2018 Oct 19;13(10):2908-2919. doi: 10.1021/acschembio.8b00533. Epub 2018 Sep 20. PMID: 30107111; PMCID: PMC6874366.",,,,,https://pubmed.ncbi.nlm.nih.gov/26169403/,https://pubmed.ncbi.nlm.nih.gov/30107111/,,,,,Not Found,No,No,,,,
DBoRL2517,Ribocil-B,"2-[(3S)-1-{[2-(methylamino)pyrimidin-5-yl]methyl}piperidin-3-yl]-6-(thiophen-2-yl)-3,4-dihydropyrimidin-4-one",CNC1=NC=C(CN2CCC[C@@]([H])(C2)C3=NC(C4=CC=CS4)=CC(N3)=O)C=N1,"InChI=1S/C19H22N6OS/c1-20-19-21-9-13(10-22-19)11-25-6-2-4-14(12-25)18-23-15(8-17(26)24-18)16-5-3-7-27-16/h3,5,7-10,14H,2,4,6,11-12H2,1H3,(H,20,21,22)(H,23,24,26)/t14-/m0/s1",ZSXCVAIJFUEGJR-AWEZNQCLSA-N,C19H22N6OS,1825355-55-2,382.49,1.159478495,2,6,5,4,Flavin Mononucleotide (FMN) Riboswitch,Will be updated soon.,26416753,28434876,,,,,"1) Howe JA, Wang H, Fischmann TO, Balibar CJ, Xiao L, Galgoci AM, Malinverni JC, Mayhood T, Villafania A, Nahvi A, Murgolo N, Barbieri CM, Mann PA, Carr D, Xia E, Zuck P, Riley D, Painter RE, Walker SS, Sherborne B, de Jesus R, Pan W, Plotkin MA, Wu J, Rindgen D, Cummings J, Garlisi CG, Zhang R, Sheth PR, Gill CJ, Tang H, Roemer T. Selective small-molecule inhibition of an RNA structural element. Nature. 2015 Oct 29;526(7575):672-7. doi: 10.1038/nature15542. Epub 2015 Sep 30. PMID: 26416753.","2) Wang H, Mann PA, Xiao L, Gill C, Galgoci AM, Howe JA, Villafania A, Barbieri CM, Malinverni JC, Sher X, Mayhood T, McCurry MD, Murgolo N, Flattery A, Mack M, Roemer T. Dual-Targeting Small-Molecule Inhibitors of the Staphylococcus aureus FMN Riboswitch Disrupt Riboflavin Homeostasis in an Infectious Setting. Cell Chem Biol. 2017 May 18;24(5):576-588.e6. doi: 10.1016/j.chembiol.2017.03.014. Epub 2017 Apr 20. PMID: 28434876.",,,,,https://pubmed.ncbi.nlm.nih.gov/26416753/,https://pubmed.ncbi.nlm.nih.gov/28434876/,,,,,135567058,No,No,,,,
DBoRL2518,"2,6-Diaminopurine","7H-purine-2,6-diamine",NC1=C2NC=NC2=NC(N)=N1,"InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)",MSSXOMSJDRHRMC-UHFFFAOYSA-N,C5H6N6,"1904-98-9,133762-79-5",150.145,-0.723610163,3,5,0,2,pbuE (Purine-Sensing) Riboswitch,Will be updated soon.,16201765,25550163,,,,,"1) Wickiser JK, Cheah MT, Breaker RR, Crothers DM. The kinetics of ligand binding by an adenine-sensing riboswitch. Biochemistry. 2005 Oct 11;44(40):13404-14. doi: 10.1021/bi051008u. PMID: 16201765.","2) Marcano-Vel?zquez JG, Batey RT. Structure-guided mutational analysis of gene regulation by the Bacillus subtilis pbuE adenine-responsive riboswitch in a cellular context. J Biol Chem. 2015 Feb 13;290(7):4464-75. doi: 10.1074/jbc.M114.613497. Epub 2014 Dec 30. PMID: 25550163; PMCID: PMC4326850.",,,,,https://pubmed.ncbi.nlm.nih.gov/16201765/,https://pubmed.ncbi.nlm.nih.gov/25550163/,,,,,30976,No,No,,,,
DBoRL2519,PC1,"2,5,6-triamino-1,4-dihydropyrimidin-4-one",O=C1C(N)=C(N)NC(N)=N1,"InChI=1S/C4H7N5O/c5-1-2(6)8-4(7)9-3(1)10/h5H2,(H5,6,7,8,9,10)",SYEYEGBZVSWYPK-UHFFFAOYSA-N,C4H7N5O,"1004-75-7,45741-64-8",141.134,-2.511670745,4,6,0,1,xpt-pbuX (Guanine-Sensing) Riboswitch,Will be updated soon.,20421948,,,,,,"Mulhbacher J, Brouillette E, Allard M, Fortier LC, Malouin F, Lafontaine DA. Novel riboswitch ligand analogs as selective inhibitors of guanine-related metabolic pathways. PLoS Pathog. 2010 Apr 22;6(4):e1000865. doi: 10.1371/journal.ppat.1000865. PMID: 20421948; PMCID: PMC2858708.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20421948/,,,,,,135406869,No,No,,,,
DBoRL2520,Chelerythrine,"17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(13),2(10),3,8,11,14(19),15,17,20-nonaen-21-ium",C[N+]1=CC2=C(C=CC(OC)=C2OC)C3=CC=C4C(C=C5C(OCO5)=C4)=C31,"InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1",LLEJIEBFSOEYIV-UHFFFAOYSA-N,C21H18NO4,34316-15-9,348.377,-0.882072641,0,4,2,5,yjdF Riboswitch,Will be updated soon.,26843526,,,,,,"Li S, Hwang XY, Stav S, Breaker RR. The yjdF riboswitch candidate regulates gene expression by binding diverse azaaromatic compounds. RNA. 2016 Apr;22(4):530-41. doi: 10.1261/rna.054890.115. Epub 2016 Feb 3. PMID: 26843526; PMCID: PMC4793209.",,,,,,https://pubmed.ncbi.nlm.nih.gov/26843526/,,,,,,2703,No,No,,,,
DBoRL2521,Dequalinium,4-amino-1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium,CC1=CC(N)=C(C=CC=C2)C2=[N+]1CCCCCCCCCC[N+]3=C(C=CC=C4)C4=C(N)C=C3C,"InChI=1S/C30H38N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3/p+2",PCSWXVJAIHCTMO-UHFFFAOYSA-P,C30H40N4,6707-58-0,456.677,-3.591434698,2,2,11,4,yjdF Riboswitch,Will be updated soon.,26843526,,,,,,"Li S, Hwang XY, Stav S, Breaker RR. The yjdF riboswitch candidate regulates gene expression by binding diverse azaaromatic compounds. RNA. 2016 Apr;22(4):530-41. doi: 10.1261/rna.054890.115. Epub 2016 Feb 3. PMID: 26843526; PMCID: PMC4793209.",,,,,,https://pubmed.ncbi.nlm.nih.gov/26843526/,,,,,,2993,Yes,Yes,Investigational,DB04209,https://go.drugbank.com/drugs/DB04209,
DBoRL2522,Harmane,"1-methyl-9H-pyrido[3,4-b]indole",CC1=NC=CC2=C1NC3=C2C=CC=C3,"InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3",PSFDQSOCUJVVGF-UHFFFAOYSA-N,C12H10N2,486-84-0,182.226,2.004583431,1,1,0,3,yjdF Riboswitch,Will be updated soon.,26843526,,,,,,"Li S, Hwang XY, Stav S, Breaker RR. The yjdF riboswitch candidate regulates gene expression by binding diverse azaaromatic compounds. RNA. 2016 Apr;22(4):530-41. doi: 10.1261/rna.054890.115. Epub 2016 Feb 3. PMID: 26843526; PMCID: PMC4793209.",,,,,,https://pubmed.ncbi.nlm.nih.gov/26843526/,,,,,,5281404,No,No,,,,
DBoRL2523,Harmine,"7-methoxy-1-methyl-9H-pyrido[3,4-b]indole",CC1=NC=CC2=C1NC3=C2C=CC(OC)=C3,"InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3",BXNJHAXVSOCGBA-UHFFFAOYSA-N,C13H12N2O,"442-51-3,122992-92-1",212.252,1.846912166,1,2,1,3,yjdF Riboswitch,Will be updated soon.,26843526,,,,,,"Li S, Hwang XY, Stav S, Breaker RR. The yjdF riboswitch candidate regulates gene expression by binding diverse azaaromatic compounds. RNA. 2016 Apr;22(4):530-41. doi: 10.1261/rna.054890.115. Epub 2016 Feb 3. PMID: 26843526; PMCID: PMC4793209.",,,,,,https://pubmed.ncbi.nlm.nih.gov/26843526/,,,,,,5280953,Yes,No,Experimental,DB07919,https://go.drugbank.com/drugs/DB07919,This is the isomeric form of the drug approved by USFDA.
DBoRL2524,Proflavine,"acridine-3,6-diamine",NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1,"InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2",WDVSHHCDHLJJJR-UHFFFAOYSA-N,C13H11N3,"92-62-6,1811-28-5",209.252,1.848375646,2,3,0,3,yjdF Riboswitch,Will be updated soon.,26843526,,,,,,"Li S, Hwang XY, Stav S, Breaker RR. The yjdF riboswitch candidate regulates gene expression by binding diverse azaaromatic compounds. RNA. 2016 Apr;22(4):530-41. doi: 10.1261/rna.054890.115. Epub 2016 Feb 3. PMID: 26843526; PMCID: PMC4793209.",,,,,,https://pubmed.ncbi.nlm.nih.gov/26843526/,,,,,,7099,Yes,Yes,,DB01123,https://go.drugbank.com/drugs/DB01123,
DBoRL2525,Staurosporine,"(3S,4S)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1?,?.0?,??.0?,??.0??,??.0??,??.0??,??]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one",O=C1NCC2=C1C3=C(C4=C2C5=C(C=CC=C5)N4C6(C)[C@@H](OC)[C@@H](NC)CC7([H])O6)N7C8=CC=CC=C83,"InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28?/m0/s1",HKSZLNNOFSGOKW-GDVOTMOHSA-N,C28H26N4O3,Not Found,466.541,3.969673164,2,4,2,8,yjdF Riboswitch,Will be updated soon.,26843526,,,,,,"Li S, Hwang XY, Stav S, Breaker RR. The yjdF riboswitch candidate regulates gene expression by binding diverse azaaromatic compounds. RNA. 2016 Apr;22(4):530-41. doi: 10.1261/rna.054890.115. Epub 2016 Feb 3. PMID: 26843526; PMCID: PMC4793209.",,,,,,https://pubmed.ncbi.nlm.nih.gov/26843526/,,,,,,358479,Yes,No,Experimental,DB02010,https://go.drugbank.com/drugs/DB02010,
DBoRL2526,Pentamidine,4-{[5-(4-carbamimidoylphenoxy)pentyl]oxy}benzene-1-carboximidamide,NC(C1=CC=C(C=C1)OCCCCCOC2=CC=C(C=C2)C(N)=N)=N,"InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)",XDRYMKDFEDOLFX-UHFFFAOYSA-N,C19H24N4O2,100-33-4,340.427,2.322452181,4,6,10,2,Ca.LSU Group 1 Ribozyme,Will be updated soon.,10722497,12087182,,,,,"1) Miletti KE, Leibowitz MJ. Pentamidine inhibition of group I intron splicing in Candida albicans correlates with growth inhibition. Antimicrob Agents Chemother. 2000 Apr;44(4):958-66. doi: 10.1128/AAC.44.4.958-966.2000. PMID: 10722497; PMCID: PMC89798.","2) Zhang Y, Li Z, Pilch DS, Leibowitz MJ. Pentamidine inhibits catalytic activity of group I intron Ca.LSU by altering RNA folding. Nucleic Acids Res. 2002 Jul 1;30(13):2961-71. doi: 10.1093/nar/gkf394. PMID: 12087182; PMCID: PMC117049.",,,,,https://pubmed.ncbi.nlm.nih.gov/10722497/,https://pubmed.ncbi.nlm.nih.gov/12087182/,,,,,4735,Yes,Yes,Investigational,DB00738,https://go.drugbank.com/drugs/DB00738,
DBoRL2527,Methylquinolinium 15,2-[(1E)-2-(1H-indol-2-yl)ethenyl]-1-methylquinolin-1-ium,C[N+]1=C(/C=C/C2=CC3=C(C=CC=C3)N2)C=CC4=CC=CC=C41,"InChI=1S/C20H16N2/c1-22-18(12-10-15-6-3-5-9-20(15)22)13-11-17-14-16-7-2-4-8-19(16)21-17/h2-14H,1H3/p+1",WWUYJYQWEXMWHM-UHFFFAOYSA-O,C20H17N2,Not Found,285.369,-0.042501032,1,0,2,4,A Disintegrin and Metalloproteinase 10 (ADAM10) G-Quadruplex Forming Sequence,Will be updated soon.,25822852,,,,,,"Dai J, Liu ZQ, Wang XQ, Lin J, Yao PF, Huang SL, Ou TM, Tan JH, Li D, Gu LQ, Huang ZS. Discovery of Small Molecules for Up-Regulating the Translation of Antiamyloidogenic Secretase, a Disintegrin and Metalloproteinase 10 (ADAM10), by Binding to the G-Quadruplex-Forming Sequence in the 5' Untranslated Region (UTR) of Its mRNA. J Med Chem. 2015 May 14;58(9):3875-91. doi: 10.1021/acs.jmedchem.5b00139. Epub 2015 Apr 15. PMID: 25822852.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25822852/,,,,,,118736721,No,No,,,,
DBoRL2528,Methylquinolinium 16,2-[(1E)-2-(9-ethyl-9H-carbazol-3-yl)ethenyl]-1-methylquinolin-1-ium,C[N+]1=C(/C=C/C(C=C2)=CC3=C2N(CC)C4=C3C=CC=C4)C=CC5=CC=CC=C51,"InChI=1S/C26H23N2/c1-3-28-25-11-7-5-9-22(25)23-18-19(13-17-26(23)28)12-15-21-16-14-20-8-4-6-10-24(20)27(21)2/h4-18H,3H2,1-2H3/q+1",KISPTSIXDBWEIX-UHFFFAOYSA-N,C26H23N2,Not Found,363.483,1.636859745,0,0,3,5,A Disintegrin and Metalloproteinase 10 (ADAM10) G-Quadruplex Forming Sequence,Will be updated soon.,25822852,,,,,,"Dai J, Liu ZQ, Wang XQ, Lin J, Yao PF, Huang SL, Ou TM, Tan JH, Li D, Gu LQ, Huang ZS. Discovery of Small Molecules for Up-Regulating the Translation of Antiamyloidogenic Secretase, a Disintegrin and Metalloproteinase 10 (ADAM10), by Binding to the G-Quadruplex-Forming Sequence in the 5' Untranslated Region (UTR) of Its mRNA. J Med Chem. 2015 May 14;58(9):3875-91. doi: 10.1021/acs.jmedchem.5b00139. Epub 2015 Apr 15. PMID: 25822852.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25822852/,,,,,,71699739,No,No,,,,
DBoRL2529,Methylquinolinium 22,1-methyl-4-(4-methylpiperazin-1-yl)-2-[(1E)-2-[4-(morpholin-4-yl)phenyl]ethenyl]quinolin-1-ium,C[N+]1=C(C=C(C2=CC=CC=C21)N3CCN(CC3)C)/C=C/C4=CC=C(C=C4)N5CCOCC5,"InChI=1S/C27H33N4O/c1-28-13-15-31(16-14-28)27-21-24(29(2)26-6-4-3-5-25(26)27)12-9-22-7-10-23(11-8-22)30-17-19-32-20-18-30/h3-12,21H,13-20H2,1-2H3/q+1",GTOHBZYZWPSPQC-UHFFFAOYSA-N,C27H33N4O,Not Found,429.587,-0.216557304,0,4,4,5,A Disintegrin and Metalloproteinase 10 (ADAM10) G-Quadruplex Forming Sequence,Will be updated soon.,25822852,,,,,,"Dai J, Liu ZQ, Wang XQ, Lin J, Yao PF, Huang SL, Ou TM, Tan JH, Li D, Gu LQ, Huang ZS. Discovery of Small Molecules for Up-Regulating the Translation of Antiamyloidogenic Secretase, a Disintegrin and Metalloproteinase 10 (ADAM10), by Binding to the G-Quadruplex-Forming Sequence in the 5' Untranslated Region (UTR) of Its mRNA. J Med Chem. 2015 May 14;58(9):3875-91. doi: 10.1021/acs.jmedchem.5b00139. Epub 2015 Apr 15. PMID: 25822852.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25822852/,,,,,,118736734,No,No,,,,
DBoRL2530,Methylquinolinium 23,2-[(1E)-2-(1H-indol-2-yl)ethenyl]-1-methyl-4-(4-methylpiperazin-1-yl)quinolin-1-ium,C[N+]1=C(C=C(C2=CC=CC=C21)N3CCN(CC3)C)/C=C/C4=CC5=C(N4)C=CC=C5,"InChI=1S/C25H26N4/c1-27-13-15-29(16-14-27)25-18-21(28(2)24-10-6-4-8-22(24)25)12-11-20-17-19-7-3-5-9-23(19)26-20/h3-12,17-18H,13-16H2,1-2H3/p+1",DGRKHRFMUILZKR-UHFFFAOYSA-O,C25H27N4,Not Found,383.518,-0.087337595,1,2,3,5,A Disintegrin and Metalloproteinase 10 (ADAM10) G-Quadruplex Forming Sequence,Will be updated soon.,25822852,,,,,,"Dai J, Liu ZQ, Wang XQ, Lin J, Yao PF, Huang SL, Ou TM, Tan JH, Li D, Gu LQ, Huang ZS. Discovery of Small Molecules for Up-Regulating the Translation of Antiamyloidogenic Secretase, a Disintegrin and Metalloproteinase 10 (ADAM10), by Binding to the G-Quadruplex-Forming Sequence in the 5' Untranslated Region (UTR) of Its mRNA. J Med Chem. 2015 May 14;58(9):3875-91. doi: 10.1021/acs.jmedchem.5b00139. Epub 2015 Apr 15. PMID: 25822852.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25822852/,,,,,,118736736,No,No,,,,
DBoRL2531,Methylquinolinium 24,2-[(1E)-2-(9-ethyl-9H-carbazol-3-yl)ethenyl]-1-methyl-4-(4-methylpiperazin-1-yl)quinolin-1-ium,C[N+]1=C(C=C(C2=CC=CC=C21)N3CCN(CC3)C)/C=C/C4=CC5=C(C=C4)N(C6=C5C=CC=C6)CC,"InChI=1S/C31H33N4/c1-4-35-29-12-8-5-9-25(29)27-21-23(14-16-30(27)35)13-15-24-22-31(34-19-17-32(2)18-20-34)26-10-6-7-11-28(26)33(24)3/h5-16,21-22H,4,17-20H2,1-3H3/q+1",UZSVGXGKKVFNFM-UHFFFAOYSA-N,C31H33N4,Not Found,461.632,1.592023182,0,2,4,6,A Disintegrin and Metalloproteinase 10 (ADAM10) G-Quadruplex Forming Sequence,Will be updated soon.,25822852,,,,,,"Dai J, Liu ZQ, Wang XQ, Lin J, Yao PF, Huang SL, Ou TM, Tan JH, Li D, Gu LQ, Huang ZS. Discovery of Small Molecules for Up-Regulating the Translation of Antiamyloidogenic Secretase, a Disintegrin and Metalloproteinase 10 (ADAM10), by Binding to the G-Quadruplex-Forming Sequence in the 5' Untranslated Region (UTR) of Its mRNA. J Med Chem. 2015 May 14;58(9):3875-91. doi: 10.1021/acs.jmedchem.5b00139. Epub 2015 Apr 15. PMID: 25822852.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25822852/,,,,,,118736738,No,No,,,,
DBoRL2532,Compound 1,"4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]aniline",NC1=CC=C(C2=CC3=CC=C(C=C3N2)C4=NCCN4)C=C1,"InChI=1S/C17H16N4/c18-14-5-3-11(4-6-14)15-9-12-1-2-13(10-16(12)21-15)17-19-7-8-20-17/h1-6,9-10,21H,7-8,18H2,(H,19,20)",WTHNYOLLHUWMGI-UHFFFAOYSA-N,C17H16N4,Not Found,276.343,2.060537336,3,3,2,4,DDPAC Microtubule-Associated Protein Tau (MAPT) pre-mRNA,Will be updated soon.,25115866,,,,,,"Luo Y, Disney MD. Bottom-up design of small molecules that stimulate exon 10 skipping in mutant MAPT pre-mRNA. Chembiochem. 2014 Sep 22;15(14):2041-4. doi: 10.1002/cbic.201402069. Epub 2014 Aug 12. PMID: 25115866; PMCID: PMC4334360.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25115866/,,,,,,435422,No,No,,,,
DBoRL2533,Compound 2,2-{4-[(4-carbamimidoylphenyl)amino]phenyl}-1H-indole-6-carboximidamide,N=C(C1=CC=C2C=C(NC2=C1)C3=CC=C(C=C3)NC4=CC=C(C=C4)C(N)=N)N,"InChI=1S/C22H20N6/c23-21(24)14-5-9-18(10-6-14)27-17-7-3-13(4-8-17)19-11-15-1-2-16(22(25)26)12-20(15)28-19/h1-12,27-28H,(H3,23,24)(H3,25,26)",TZRXNWCLKYWDNH-UHFFFAOYSA-N,C22H20N6,502139-01-7,368.444,2.920097019,6,5,5,4,DDPAC Microtubule-Associated Protein Tau (MAPT) pre-mRNA,Will be updated soon.,25115866,,,,,,"Luo Y, Disney MD. Bottom-up design of small molecules that stimulate exon 10 skipping in mutant MAPT pre-mRNA. Chembiochem. 2014 Sep 22;15(14):2041-4. doi: 10.1002/cbic.201402069. Epub 2014 Aug 12. PMID: 25115866; PMCID: PMC4334360.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25115866/,,,,,,435840,No,No,,,,
DBoRL2534,Compound 4,6-amino-1-methyl-4-{[4-({4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolin-1-ium,C[N+]1=CC=C(NC2=CC=C(NC(C3=CC=C(NC4=C(C=C(N)C=C5)C5=[N+](C)C=C4)C=C3)=O)C=C2)C=C1,"InChI=1S/C29H26N6O/c1-34-16-13-25(14-17-34)31-22-8-10-24(11-9-22)33-29(36)20-3-6-23(7-4-20)32-27-15-18-35(2)28-12-5-21(30)19-26(27)28/h3-19H,30H2,1-2H3,(H,33,36)/p+2",UTNLBWFBAVTJPJ-UHFFFAOYSA-P,C29H28N6O,88495-92-5,476.583,-4.187147475,4,4,6,5,DDPAC Microtubule-Associated Protein Tau (MAPT) pre-mRNA,Will be updated soon.,25115866,,,,,,"Luo Y, Disney MD. Bottom-up design of small molecules that stimulate exon 10 skipping in mutant MAPT pre-mRNA. Chembiochem. 2014 Sep 22;15(14):2041-4. doi: 10.1002/cbic.201402069. Epub 2014 Aug 12. PMID: 25115866; PMCID: PMC4334360.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25115866/,,,,,,150137,No,No,,,,
DBoRL2535,RGB-1,"8,18-bis(furan-2-yl)-6,16-dithia-1,4,11,14-tetraazapentacyclo[11.7.0.0?,??.0?,?.0??,??]icosa-3,5(9),7,13,15(19),17-hexaene-10,20-dione",O=C1C(C(C2=CC=CO2)=CS3)=C3N=C(C4)N1CC(N4C5=O)=NC6=C5C(C7=CC=CO7)=CS6,"InChI=1S/C22H12N4O4S2/c27-21-17-11(13-3-1-5-29-13)9-31-19(17)23-15-8-26-16(7-25(15)21)24-20-18(22(26)28)12(10-32-20)14-4-2-6-30-14/h1-6,9-10H,7-8H2",QNXKYGQXHUFVRZ-UHFFFAOYSA-N,C22H12N4O4S2,930455-91-7,460.48,2.704711041,0,4,2,7,NRAS G-Quadruplex Forming Sequence,Will be updated soon.,27410677,,,,,,"Katsuda Y, Sato S, Asano L, Morimura Y, Furuta T, Sugiyama H, Hagihara M, Uesugi M. A Small Molecule That Represses Translation of G-Quadruplex-Containing mRNA. J Am Chem Soc. 2016 Jul 27;138(29):9037-40. doi: 10.1021/jacs.6b04506. Epub 2016 Jul 15. PMID: 27410677.",,,,,,https://pubmed.ncbi.nlm.nih.gov/27410677/,,,,,,17421884,No,No,,,,
DBoRL2536,Benzimidazole 1 (2014),"N-(3-azidopropyl)-4-{2,6-di-tert-butyl-4-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]phenoxy}butanamide",CN1CCN(C2=CC=C3C(NC(C4=CC(C(C)(C)C)=C(OCCCC(NCCCN=[N+]=[N-])=O)C(C(C)(C)C)=C4)=N3)=C2)CC1,"InChI=1S/C33H48N8O2/c1-32(2,3)25-20-23(31-37-27-12-11-24(22-28(27)38-31)41-17-15-40(7)16-18-41)21-26(33(4,5)6)30(25)43-19-8-10-29(42)35-13-9-14-36-39-34/h11-12,20-22H,8-10,13-19H2,1-7H3,(H,35,42)(H,37,38)",LTPQCIXFOJELHJ-UHFFFAOYSA-N,C33H48N8O2,1311982-88-3,588.801,5.782471821,2,7,13,4,pre-miRNA-96,Will be updated soon.,24509821,,,,,,"Velagapudi SP, Gallo SM, Disney MD. Sequence-based design of bioactive small molecules that target precursor microRNAs. Nat Chem Biol. 2014 Apr;10(4):291-7. doi: 10.1038/nchembio.1452. Epub 2014 Feb 9. PMID: 24509821; PMCID: PMC3962094.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24509821/,,,,,,72699186,No,No,,,,
DBoRL2537,D6,4-carbamimidamidophenyl 4-carbamimidamidobenzoate,O=C(OC1=CC=C(C=C1)NC(N)=N)C2=CC=C(C=C2)NC(N)=N,"InChI=1S/C15H16N6O2/c16-14(17)20-10-3-1-9(2-4-10)13(22)23-12-7-5-11(6-8-12)21-15(18)19/h1-8H,(H4,16,17,20)(H4,18,19,21)",JXJBQAMLLCEHTI-UHFFFAOYSA-N,C15H16N6O2,Not Found,312.333,1.582667256,6,7,5,2,Huntington's Disease (HD) and Spinocerebellar Ataxia Type 3 (SCA3) r(CAG) Repeats,Will be updated soon.,22252896,,,,,,"Kumar A, Parkesh R, Sznajder LJ, Childs-Disney JL, Sobczak K, Disney MD. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG)-containing transcripts. ACS Chem Biol. 2012 Mar 16;7(3):496-505. doi: 10.1021/cb200413a. Epub 2012 Jan 17. PMID: 22252896; PMCID: PMC3306454.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22252896/,,,,,,427880,No,No,,,,
DBoRL2538,Hydroxyellipticine 1a,"9-hydroxy-5,11-dimethyl-2-[2-(piperidin-1-yl)ethyl]-6H-pyrido[4,3-b]carbazol-2-ium",OC1=CC2=C(NC3=C2C(C)=C4C(C=C[N+](CCN5CCCCC5)=C4)=C3C)C=C1,"InChI=1S/C24H27N3O/c1-16-21-15-27(13-12-26-9-4-3-5-10-26)11-8-19(21)17(2)24-23(16)20-14-18(28)6-7-22(20)25-24/h6-8,11,14-15,28H,3-5,9-10,12-13H2,1-2H3/p+1",FYCLDNIGWUYSFQ-UHFFFAOYSA-O,C24H28N3O,Not Found,374.507,0.380147526,2,2,3,5,Fragile X Mental Retardation 1 (FMR1) r(CGG) Repeats,Will be updated soon.,27276216,22948243,,,,,"1) Yang WY, He F, Strack RL, Oh SY, Frazer M, Jaffrey SR, Todd PK, Disney MD. Small Molecule Recognition and Tools to Study Modulation of r(CGG)(exp) in Fragile X-Associated Tremor Ataxia Syndrome. ACS Chem Biol. 2016 Sep 16;11(9):2456-65. doi: 10.1021/acschembio.6b00147. Epub 2016 Jul 11. PMID: 27276216; PMCID: PMC5549791.","2) Disney MD, Liu B, Yang WY, Sellier C, Tran T, Charlet-Berguerand N, Childs-Disney JL. A small molecule that targets r(CGG)(exp) and improves defects in fragile X-associated tremor ataxia syndrome. ACS Chem Biol. 2012 Oct 19;7(10):1711-8. doi: 10.1021/cb300135h. Epub 2012 Sep 4. PMID: 22948243; PMCID: PMC3477254.",,,,,https://pubmed.ncbi.nlm.nih.gov/27276216/,https://pubmed.ncbi.nlm.nih.gov/22948243/,,,,,432608,No,No,,,,
DBoRL2539,Hydroxyellipticine 1a,"9-hydroxy-5,11-dimethyl-2-[2-(piperidin-1-yl)ethyl]-6H-pyrido[4,3-b]carbazol-2-ium",OC1=CC2=C(NC3=C2C(C)=C4C(C=C[N+](CCN5CCCCC5)=C4)=C3C)C=C1,"InChI=1S/C24H27N3O/c1-16-21-15-27(13-12-26-9-4-3-5-10-26)11-8-19(21)17(2)24-23(16)20-14-18(28)6-7-22(20)25-24/h6-8,11,14-15,28H,3-5,9-10,12-13H2,1-2H3/p+1",FYCLDNIGWUYSFQ-UHFFFAOYSA-O,C24H28N3O,Not Found,374.507,0.380147526,2,2,3,5,C9ORF72 r(GGGGCC) Repeats,Will be updated soon.,25132468,,,,,,"Su Z, Zhang Y, Gendron TF, Bauer PO, Chew J, Yang WY, Fostvedt E, Jansen-West K, Belzil VV, Desaro P, Johnston A, Overstreet K, Oh SY, Todd PK, Berry JD, Cudkowicz ME, Boeve BF, Dickson D, Floeter MK, Traynor BJ, Morelli C, Ratti A, Silani V, Rademakers R, Brown RH, Rothstein JD, Boylan KB, Petrucelli L, Disney MD. Discovery of a biomarker and lead small molecules to target r(GGGGCC)-associated defects in c9FTD/ALS. Neuron. 2014 Sep 3;83(5):1043-50. doi: 10.1016/j.neuron.2014.07.041. Epub 2014 Aug 14. Erratum in: Neuron. 2014 Oct 1;84(1):239. PMID: 25132468; PMCID: PMC4232217.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25132468/,,,,,,432608,No,No,,,,
DBoRL2540,Benzimidazole 1 (2015),"5-nitro-2-[3-(5-nitro-1H-1,3-benzodiazol-2-yl)propyl]-1H-1,3-benzodiazole",O=[N+]([O-])C1=CC2=C(C=C1)NC(CCCC3=NC(C=C([N+]([O-])=O)C=C4)=C4N3)=N2,"InChI=1S/C17H14N6O4/c24-22(25)10-4-6-12-14(8-10)20-16(18-12)2-1-3-17-19-13-7-5-11(23(26)27)9-15(13)21-17/h4-9H,1-3H2,(H,18,20)(H,19,21)",HIJXFOFEBGDCDQ-UHFFFAOYSA-N,C17H14N6O4,51877-67-9,366.337,3.137882964,2,6,6,4,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,Will be updated soon.,26414664,,,,,,"Rzuczek SG, Southern MR, Disney MD. Studying a Drug-like, RNA-Focused Small Molecule Library Identifies Compounds That Inhibit RNA Toxicity in Myotonic Dystrophy. ACS Chem Biol. 2015 Dec 18;10(12):2706-15. doi: 10.1021/acschembio.5b00430. Epub 2015 Sep 28. PMID: 26414664; PMCID: PMC4903160.",,,,,,https://pubmed.ncbi.nlm.nih.gov/26414664/,,,,,,3096126,No,No,,,,
DBoRL2541,Benzimidazole 16 (2015),"N-{2-[4-(furan-2-amido)phenyl]-1H-1,3-benzodiazol-5-yl}furan-2-carboxamide",O=C(C1=CC=CO1)NC2=CC3=C(C=C2)NC(C4=CC=C(NC(C5=CC=CO5)=O)C=C4)=N3,"InChI=1S/C23H16N4O4/c28-22(19-3-1-11-30-19)24-15-7-5-14(6-8-15)21-26-17-10-9-16(13-18(17)27-21)25-23(29)20-4-2-12-31-20/h1-13H,(H,24,28)(H,25,29)(H,26,27)",ODSIJJZUIUDTNU-UHFFFAOYSA-N,C23H16N4O4,Not Found,412.405,3.588537148,3,3,5,5,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,Will be updated soon.,26414664,,,,,,"Rzuczek SG, Southern MR, Disney MD. Studying a Drug-like, RNA-Focused Small Molecule Library Identifies Compounds That Inhibit RNA Toxicity in Myotonic Dystrophy. ACS Chem Biol. 2015 Dec 18;10(12):2706-15. doi: 10.1021/acschembio.5b00430. Epub 2015 Sep 28. PMID: 26414664; PMCID: PMC4903160.",,,,,,https://pubmed.ncbi.nlm.nih.gov/26414664/,,,,,,3149812,No,No,,,,
DBoRL2542,Benzimidazole 17 (2015),"N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide",O=C(C1=CC=C(C2=CC=C(Cl)C=C2)O1)NC(C=C3)=CC=C3C4=NC5=C(C=CC=C5)N4,"InChI=1S/C24H16ClN3O2/c25-17-9-5-15(6-10-17)21-13-14-22(30-21)24(29)26-18-11-7-16(8-12-18)23-27-19-3-1-2-4-20(19)28-23/h1-14H,(H,26,29)(H,27,28)",FGWCLRHJUYNTLB-UHFFFAOYSA-N,C24H16ClN3O2,Not Found,413.86,5.60767686,2,2,4,5,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,Will be updated soon.,26414664,,,,,,"Rzuczek SG, Southern MR, Disney MD. Studying a Drug-like, RNA-Focused Small Molecule Library Identifies Compounds That Inhibit RNA Toxicity in Myotonic Dystrophy. ACS Chem Biol. 2015 Dec 18;10(12):2706-15. doi: 10.1021/acschembio.5b00430. Epub 2015 Sep 28. PMID: 26414664; PMCID: PMC4903160.",,,,,,https://pubmed.ncbi.nlm.nih.gov/26414664/,,,,,,1112705,No,No,,,,
DBoRL2543,H1,"3-{5-[2-(3-aminophenyl)-1H-1,3-benzodiazol-5-yl]-1H-1,3-benzodiazol-2-yl}aniline",NC1=CC(C2=NC3=CC(C4=CC5=C(NC(C6=CC(N)=CC=C6)=N5)C=C4)=CC=C3N2)=CC=C1,"InChI=1S/C26H20N6/c27-19-5-1-3-17(11-19)25-29-21-9-7-15(13-23(21)31-25)16-8-10-22-24(14-16)32-26(30-22)18-4-2-6-20(28)12-18/h1-14H,27-28H2,(H,29,31)(H,30,32)",QROWVLFOWUYBIG-UHFFFAOYSA-N,C26H20N6,4402-18-0,416.488,4.584676135,4,4,3,6,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,Will be updated soon.,22300544,,,,,,"Parkesh R, Childs-Disney JL, Nakamori M, Kumar A, Wang E, Wang T, Hoskins J, Tran T, Housman D, Thornton CA, Disney MD. Design of a bioactive small molecule that targets the myotonic dystrophy type 1 RNA via an RNA motif-ligand database and chemical similarity searching. J Am Chem Soc. 2012 Mar 14;134(10):4731-42. doi: 10.1021/ja210088v. Epub 2012 Mar 5. PMID: 22300544; PMCID: PMC3306011.",,,,,,https://pubmed.ncbi.nlm.nih.gov/22300544/,,,,,,4644404,No,No,,,,
DBoRL2544,Lomofungin,"methyl 6-formyl-4,9-dihydroxy-7-oxo-5,7-dihydrophenazine-1-carboxylate",COC(C1=C2C(NC3=C(C=O)C(C=C(C3=N2)O)=O)=C(O)C=C1)=O,"InChI=1S/C15H10N2O6/c1-23-15(22)6-2-3-8(19)13-11(6)16-14-10(21)4-9(20)7(5-18)12(14)17-13/h2-5,17,19,21H,1H3",XFJSDWDIGQZSRJ-UHFFFAOYSA-N,C15H10N2O6,Not Found,314.253,0.589918243,3,7,3,3,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,Will be updated soon.,24799433,,,,,,"Hoskins JW, Ofori LO, Chen CZ, Kumar A, Sobczak K, Nakamori M, Southall N, Patnaik S, Marugan JJ, Zheng W, Austin CP, Disney MD, Miller BL, Thornton CA. Lomofungin and dilomofungin: inhibitors of MBNL1-CUG RNA binding with distinct cellular effects. Nucleic Acids Res. 2014 Jun;42(10):6591-602. doi: 10.1093/nar/gku275. Epub 2014 May 5. PMID: 24799433; PMCID: PMC4041448.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24799433/,,,,,,Not Found,No,No,,,,
DBoRL2545,Naphthyridine 2,"1,8-diamino-3,6-bis(pyrrolidin-1-yl)-2,7-naphthyridine-4-carbonitrile",NC1=C2C(C=C(N3CCCC3)N=C2N)=C(C#N)C(N4CCCC4)=N1,"InChI=1S/C17H21N7/c18-10-12-11-9-13(23-5-1-2-6-23)21-15(19)14(11)16(20)22-17(12)24-7-3-4-8-24/h9H,1-8H2,(H2,19,21)(H2,20,22)",SSWVPYMSHHEYAB-UHFFFAOYSA-N,C17H21N7,522606-67-3,323.404,2.13113477,2,7,2,4,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,Will be updated soon.,23806903,,,,,,"Childs-Disney JL, Stepniak-Konieczna E, Tran T, Yildirim I, Park H, Chen CZ, Hoskins J, Southall N, Marugan JJ, Patnaik S, Zheng W, Austin CP, Schatz GC, Sobczak K, Thornton CA, Disney MD. Induction and reversal of myotonic dystrophy type 1 pre-mRNA splicing defects by small molecules. Nat Commun. 2013;4:2044. doi: 10.1038/ncomms3044. PMID: 23806903; PMCID: PMC3710115.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23806903/,,,,,,2997948,No,No,,,,
DBoRL2546,Naphthyridine 2,"1,8-diamino-3,6-bis(pyrrolidin-1-yl)-2,7-naphthyridine-4-carbonitrile",NC1=C2C(C=C(N3CCCC3)N=C2N)=C(C#N)C(N4CCCC4)=N1,"InChI=1S/C17H21N7/c18-10-12-11-9-13(23-5-1-2-6-23)21-15(19)14(11)16(20)22-17(12)24-7-3-4-8-24/h9H,1-8H2,(H2,19,21)(H2,20,22)",SSWVPYMSHHEYAB-UHFFFAOYSA-N,C17H21N7,522606-67-3,323.404,2.13113477,2,7,2,4,pre-miRNA-544,Will be updated soon.,26181590,,,,,,"Haga CL, Velagapudi SP, Strivelli JR, Yang WY, Disney MD, Phinney DG. Small Molecule Inhibition of miR-544 Biogenesis Disrupts Adaptive Responses to Hypoxia by Modulating ATM-mTOR Signaling. ACS Chem Biol. 2015 Oct 16;10(10):2267-76. doi: 10.1021/acschembio.5b00265. Epub 2015 Jul 30. PMID: 26181590; PMCID: PMC4876818.",,,,,,https://pubmed.ncbi.nlm.nih.gov/26181590/,,,,,,2997948,No,No,,,,
DBoRL2547,p1,"N-(pyridin-2-yl)-3-[(1,3-thiazol-4-yl)methoxy]benzamide",O=C(NC1=CC=CC=N1)C2=CC(OCC3=CSC=N3)=CC=C2,"InChI=1S/C16H13N3O2S/c20-16(19-15-6-1-2-7-17-15)12-4-3-5-14(8-12)21-9-13-10-22-11-18-13/h1-8,10-11H,9H2,(H,17,19,20)",HAYILOTWAOHARD-UHFFFAOYSA-N,C16H13N3O2S,1209900-27-5,311.36,2.748982247,1,4,5,3,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,Will be updated soon.,27839685,,,,,,"Angelbello AJ, Gonz?lez ?L, Rzuczek SG, Disney MD. Development of pharmacophore models for small molecules targeting RNA: Application to the RNA repeat expansion in myotonic dystrophy type 1. Bioorg Med Chem Lett. 2016 Dec 1;26(23):5792-5796. doi: 10.1016/j.bmcl.2016.10.037. Epub 2016 Oct 13. PMID: 27839685; PMCID: PMC5286915.",,,,,,https://pubmed.ncbi.nlm.nih.gov/27839685/,,,,,,35035693,No,No,,,,
DBoRL2548,p7,N-[6-(4-fluorobenzamido)pyridin-3-yl]pyridine-4-carboxamide,FC1=CC=C(C(NC2=CC=C(NC(C3=CC=NC=C3)=O)C=N2)=O)C=C1,"InChI=1S/C18H13FN4O2/c19-14-3-1-12(2-4-14)18(25)23-16-6-5-15(11-21-16)22-17(24)13-7-9-20-10-8-13/h1-11H,(H,22,24)(H,21,23,25)",KMZDXUBJRVVCMR-UHFFFAOYSA-N,C18H13FN4O2,Not Found,336.326,2.45883004,2,4,4,3,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,Will be updated soon.,27839685,,,,,,"Angelbello AJ, Gonz?lez ?L, Rzuczek SG, Disney MD. Development of pharmacophore models for small molecules targeting RNA: Application to the RNA repeat expansion in myotonic dystrophy type 1. Bioorg Med Chem Lett. 2016 Dec 1;26(23):5792-5796. doi: 10.1016/j.bmcl.2016.10.037. Epub 2016 Oct 13. PMID: 27839685; PMCID: PMC5286915.",,,,,,https://pubmed.ncbi.nlm.nih.gov/27839685/,,,,,,1449504,No,No,,,,
DBoRL2549,Pyrvinium,"2-[(1E)-2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl]-6-(dimethylamino)-1-methylquinolin-1-ium",C[N+]1=C(/C=C/C2=C(C)N(C3=CC=CC=C3)C(C)=C2)C=CC4=CC(N(C)C)=CC=C41,"InChI=1S/C26H28N3/c1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5/h6-18H,1-5H3/q+1",QMHSXPLYMTVAMK-UHFFFAOYSA-N,C26H28N3,7187-62-4,382.53,1.407420983,0,1,4,4,Serotonin 2C Receptor (HTR2C) pre-mRNA,Will be updated soon.,23393189,,,,,,"Shen M, Bellaousov S, Hiller M, de La Grange P, Creamer TP, Malina O, Sperling R, Mathews DH, Stoilov P, Stamm S. Pyrvinium pamoate changes alternative splicing of the serotonin receptor 2C by influencing its RNA structure. Nucleic Acids Res. 2013 Apr 1;41(6):3819-32. doi: 10.1093/nar/gkt063. Epub 2013 Feb 7. PMID: 23393189; PMCID: PMC3616728.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23393189/,,,,,,22526,Yes,Yes,,DB06816,https://go.drugbank.com/drugs/DB06816,
DBoRL2550,NVS-SM1,"5-(1H-pyrazol-4-yl)-2-{6-[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]pyridazin-3-yl}phenol",CC1(CC(CC(C)(N1)C)OC2=CC=C(N=N2)C3=CC=C(C4=CNN=C4)C=C3O)C,"InChI=1S/C22H27N5O2/c1-21(2)10-16(11-22(3,4)27-21)29-20-8-7-18(25-26-20)17-6-5-14(9-19(17)28)15-12-23-24-13-15/h5-9,12-13,16,27-28H,10-11H2,1-4H3,(H,23,24)",STWTUEAWRAIWJG-UHFFFAOYSA-N,C22H27N5O2,1562338-42-4,393.491,1.799288169,3,6,4,4,U1 small nuclear Ribonucleoprotein (snRNP)/Survival of Motor Neuron 2 (SMN2) pre-mRNA complex,Will be updated soon.,26030728,29133793,,,,,"1) Palacino J, Swalley SE, Song C, Cheung AK, Shu L, Zhang X, Van Hoosear M, Shin Y, Chin DN, Keller CG, Beibel M, Renaud NA, Smith TM, Salcius M, Shi X, Hild M, Servais R, Jain M, Deng L, Bullock C, McLellan M, Schuierer S, Murphy L, Blommers MJ, Blaustein C, Berenshteyn F, Lacoste A, Thomas JR, Roma G, Michaud GA, Tseng BS, Porter JA, Myer VE, Tallarico JA, Hamann LG, Curtis D, Fishman MC, Dietrich WF, Dales NA, Sivasankaran R. SMN2 splice modulators enhance U1-pre-mRNA association and rescue SMA mice. Nat Chem Biol. 2015 Jul;11(7):511-7. doi: 10.1038/nchembio.1837. Epub 2015 Jun 1. Erratum in: Nat Chem Biol. 2015 Sep;11(9):741. Erratum in: Nat Chem Biol. 2016 Apr;12(4):304. PMID: 26030728.","2) Sivaramakrishnan M, McCarthy KD, Campagne S, Huber S, Meier S, Augustin A, Heckel T, Meistermann H, Hug MN, Birrer P, Moursy A, Khawaja S, Schmucki R, Berntenis N, Giroud N, Golling S, Tzouros M, Banfai B, Duran-Pacheco G, Lamerz J, Hsiu Liu Y, Luebbers T, Ratni H, Ebeling M, Cl?ry A, Paushkin S, Krainer AR, Allain FH, Metzger F. Binding to SMN2 pre-mRNA-protein complex elicits specificity for small molecule splicing modifiers. Nat Commun. 2017 Nov 14;8(1):1476. doi: 10.1038/s41467-017-01559-4. PMID: 29133793; PMCID: PMC5684323.",,,,,https://pubmed.ncbi.nlm.nih.gov/26030728/,https://pubmed.ncbi.nlm.nih.gov/29133793/,,,,,135565042,Yes,No,Investigational,DB14918,https://go.drugbank.com/drugs/DB14918,
DBoRL2551,NVS-SM2,"2-{6-[methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl}-5-(1H-pyrazol-4-yl)phenol",CC1(CC(CC(C)(N1)C)N(C2=CC=C(N=N2)C3=CC=C(C4=CNN=C4)C=C3O)C)C,"InChI=1S/C23H30N6O/c1-22(2)11-17(12-23(3,4)28-22)29(5)21-9-8-19(26-27-21)18-7-6-15(10-20(18)30)16-13-24-25-14-16/h6-10,13-14,17,28,30H,11-12H2,1-5H3,(H,24,25)",XSBJQWNBBMWICJ-UHFFFAOYSA-N,C23H30N6O,1562333-92-9,406.534,2.052592318,3,6,4,4,U1 small nuclear Ribonucleoprotein (snRNP)/Survival of Motor Neuron 2 (SMN2) pre-mRNA complex,Will be updated soon.,26030728,,,,,,"Palacino J, Swalley SE, Song C, Cheung AK, Shu L, Zhang X, Van Hoosear M, Shin Y, Chin DN, Keller CG, Beibel M, Renaud NA, Smith TM, Salcius M, Shi X, Hild M, Servais R, Jain M, Deng L, Bullock C, McLellan M, Schuierer S, Murphy L, Blommers MJ, Blaustein C, Berenshteyn F, Lacoste A, Thomas JR, Roma G, Michaud GA, Tseng BS, Porter JA, Myer VE, Tallarico JA, Hamann LG, Curtis D, Fishman MC, Dietrich WF, Dales NA, Sivasankaran R. SMN2 splice modulators enhance U1-pre-mRNA association and rescue SMA mice. Nat Chem Biol. 2015 Jul;11(7):511-7. doi: 10.1038/nchembio.1837. Epub 2015 Jun 1. Erratum in: Nat Chem Biol. 2015 Sep;11(9):741. Erratum in: Nat Chem Biol. 2016 Apr;12(4):304. PMID: 26030728.",,,,,,https://pubmed.ncbi.nlm.nih.gov/26030728/,,,,,,136598218,No,No,,,,
DBoRL2552,IRAB,"11-[(dimethylamino)methyl]-3-[3-(dimethylamino)propyl]-10-oxa-3,5-diazatricyclo[7.3.0.0?,?]dodeca-1(9),2(6),4,7,11-pentaen-4-amine",CN(CC1=CC2=C3C(N=C(N3CCCN(C)C)N)=CC=C2O1)C,"InChI=1S/C17H25N5O/c1-20(2)8-5-9-22-16-13-10-12(11-21(3)4)23-15(13)7-6-14(16)19-17(22)18/h6-7,10H,5,8-9,11H2,1-4H3,(H2,18,19)",DRVCIKXLKRPCHI-UHFFFAOYSA-N,C17H25N5O,Not Found,315.421,1.437629668,1,4,6,3,Foot-and-Mouth Disease Virus (FMDV) Internal Ribosome Entry Site (IRES) Domain 3,Will be updated soon.,25775053,,,,,,"Lozano G, Trapote A, Ramajo J, Elduque X, Grandas A, Robles J, Pedroso E, Mart?nez-Salas E. Local RNA flexibility perturbation of the IRES element induced by a novel ligand inhibits viral RNA translation. RNA Biol. 2015;12(5):555-68. doi: 10.1080/15476286.2015.1025190. PMID: 25775053; PMCID: PMC4615676.",,,,,,https://pubmed.ncbi.nlm.nih.gov/25775053/,,,,,,156162089,No,No,,,,
DBoRL2553,Benzimidazole 3,"6-[3-(dimethylamino)propoxy]-1-[3-(dimethylamino)propyl]-1H-1,3-benzodiazol-2-amine",NC1=NC(C=CC(OCCCN(C)C)=C2)=C2N1CCCN(C)C,"InChI=1S/C17H29N5O/c1-20(2)9-5-11-22-16-13-14(23-12-6-10-21(3)4)7-8-15(16)19-17(22)18/h7-8,13H,5-6,9-12H2,1-4H3,(H2,18,19)",HKZVWXQGBDMGCS-UHFFFAOYSA-N,C17H29N5O,Not Found,319.453,1.338041373,1,5,9,2,Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA,Will be updated soon.,16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,10471212,No,No,,,,
DBoRL2554,Benzimidazole 10,"[3-({12-[(dimethylamino)methyl]-1,8,10-triazatricyclo[7.4.0.0?,?]trideca-2,4,6,8-tetraen-4-yl}oxy)propyl]dimethylamine",CN(C)CCCOC1=CC2=C(C=C1)N=C3NCC(CN(C)C)CN23,"InChI=1/C18H29N5O/c1-21(2)8-5-9-24-15-6-7-16-17(10-15)23-13-14(12-22(3)4)11-19-18(23)20-16/h6-7,10,14H,5,8-9,11-13H2,1-4H3,(H,19,20)",LPBVSKWLEBIYIY-UHFFFAOYNA-N,C18H29N5O,Not Found,331.464,1.462046616,1,5,7,3,Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA,Will be updated soon.,16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,135433929,No,No,,,,
DBoRL2555,Benzimidazole 11 / Isis-11,"11-[2-(dimethylamino)ethyl]-3-[3-(dimethylamino)propyl]-10-oxa-3,5-diazatricyclo[7.3.0.0?,?]dodeca-1,4,6,8-tetraen-4-amine",NC1=NC2=C(N1CCCN(C)C)C3=C(C=C2)OC(C3)CCN(C)C,"InChI=1/C18H29N5O/c1-21(2)9-5-10-23-17-14-12-13(8-11-22(3)4)24-16(14)7-6-15(17)20-18(23)19/h6-7,13H,5,8-12H2,1-4H3,(H2,19,20)",JKHBLYDBWLVFEN-UHFFFAOYNA-N,C18H29N5O,Not Found,331.464,1.437696949,1,5,7,3,Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA,Will be updated soon.,16279767,20360559,,,,,"1) Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.","2) Paulsen RB, Seth PP, Swayze EE, Griffey RH, Skalicky JJ, Cheatham TE 3rd, Davis DR. Inhibitor-induced structural change in the HCV IRES domain IIa RNA. Proc Natl Acad Sci U S A. 2010 Apr 20;107(16):7263-8. doi: 10.1073/pnas.0911896107. Epub 2010 Apr 1. PMID: 20360559; PMCID: PMC2867761.",,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,https://pubmed.ncbi.nlm.nih.gov/20360559/,,,,,Not Found,No,No,,,,
DBoRL2556,Benzimidazole 12,"12-[(dimethylamino)methyl]-3-[3-(dimethylamino)propyl]-10-oxa-3,5-diazatricyclo[7.4.0.0?,?]trideca-1,4,6,8-tetraen-4-amine",NC1=NC(C=CC2=C3CC(CO2)CN(C)C)=C3N1CCCN(C)C,"InChI=1/C18H29N5O/c1-21(2)8-5-9-23-17-14-10-13(11-22(3)4)12-24-16(14)7-6-15(17)20-18(23)19/h6-7,13H,5,8-12H2,1-4H3,(H2,19,20)",HTUXJUVSTFSWOD-UHFFFAOYNA-N,C18H29N5O,Not Found,331.464,1.422491754,1,5,6,3,Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA,Will be updated soon.,16279767,,,,,,"Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.",,,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,,,,,,9996819,No,No,,,,
DBoRL2557,Benzimidazole 13 / Isis-13,"({15-[(dimethylamino)methyl]-6-oxa-11,13,17-triazatetracyclo[8.7.0.0?,?.0??,??]heptadeca-1,7,9,11-tetraen-4-yl}methyl)dimethylamine",CN(C)CC1CC2=C(OC1)C=CC3=C2N4CC(CNC4=N3)CN(C)C,"InChI=1/C19H29N5O/c1-22(2)9-13-7-15-17(25-12-13)6-5-16-18(15)24-11-14(10-23(3)4)8-20-19(24)21-16/h5-6,13-14H,7-12H2,1-4H3,(H,20,21)",FIPRRHYNEZXZGC-UHFFFAOYNA-N,C19H29N5O,Not Found,343.475,1.546496997,1,5,4,4,Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA,Will be updated soon.,16279767,19767736,,,,,"1) Seth PP, Miyaji A, Jefferson EA, Sannes-Lowery KA, Osgood SA, Propp SS, Ranken R, Massire C, Sampath R, Ecker DJ, Swayze EE, Griffey RH. SAR by MS: discovery of a new class of RNA-binding small molecules for the hepatitis C virus: internal ribosome entry site IIA subdomain. J Med Chem. 2005 Nov 17;48(23):7099-102. doi: 10.1021/jm050815o. PMID: 16279767.","2) Parsons J, Castaldi MP, Dutta S, Dibrov SM, Wyles DL, Hermann T. Conformational inhibition of the hepatitis C virus internal ribosome entry site RNA. Nat Chem Biol. 2009 Nov;5(11):823-5. doi: 10.1038/nchembio.217. Epub 2009 Sep 20. PMID: 19767736; PMCID: PMC2770845.",,,,,https://pubmed.ncbi.nlm.nih.gov/16279767/,https://pubmed.ncbi.nlm.nih.gov/19767736/,,,,,135481189,No,No,,,,
DBoRL2558,Isis-22,"({4-[(dimethylamino)methyl]-5-oxa-10,12,16-triazatetracyclo[7.7.0.0?,?.0??,??]hexadeca-1,6,8,10-tetraen-14-yl}methyl)dimethylamine",CN(CC1CN2C3=C4C(OC(C4)CN(C)C)=CC=C3N=C2NC1)C,"InChI=1/C18H27N5O/c1-21(2)9-12-8-19-18-20-15-5-6-16-14(17(15)23(18)10-12)7-13(24-16)11-22(3)4/h5-6,12-13H,7-11H2,1-4H3,(H,19,20)",OUAZLHFQTMPOMU-UHFFFAOYNA-N,C18H27N5O,Not Found,329.448,1.501742454,1,5,4,4,Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA,Will be updated soon.,21075143,,,,,,"Liu S, Nelson CA, Xiao L, Lu L, Seth PP, Davis DR, Hagedorn CH. Measuring antiviral activity of benzimidazole molecules that alter IRES RNA structure with an infectious hepatitis C virus chimera expressing Renilla luciferase. Antiviral Res. 2011 Jan;89(1):54-63. doi: 10.1016/j.antiviral.2010.11.004. Epub 2010 Nov 12. PMID: 21075143; PMCID: PMC3018537.",,,,,,https://pubmed.ncbi.nlm.nih.gov/21075143/,,,,,,136138094,No,No,,,,
DBoRL2559,DB213,"N1,N4-bis[3-(dimethylamino)propyl]benzene-1,4-dicarboximidamide",N=C(C1=CC=C(C=C1)C(NCCCN(C)C)=N)NCCCN(C)C,"InChI=1S/C18H32N6/c1-23(2)13-5-11-21-17(19)15-7-9-16(10-8-15)18(20)22-12-6-14-24(3)4/h7-10H,5-6,11-14H2,1-4H3,(H2,19,21)(H2,20,22)",QAWYYAYHHZQCLB-UHFFFAOYSA-N,C18H32N6,Not Found,332.496,0.526610085,4,6,10,1,HIV-1 Frameshift Site,Will be updated soon.,21648432,9573247,,,,,"1) Marcheschi RJ, Tonelli M, Kumar A, Butcher SE. Structure of the HIV-1 frameshift site RNA bound to a small molecule inhibitor of viral replication. ACS Chem Biol. 2011 Aug 19;6(8):857-64. doi: 10.1021/cb200082d. Epub 2011 Jun 15. PMID: 21648432; PMCID: PMC3158809.","2) Hung M, Patel P, Davis S, Green SR. Importance of ribosomal frameshifting for human immunodeficiency virus type 1 particle assembly and replication. J Virol. 1998 Jun;72(6):4819-24. doi: 10.1128/JVI.72.6.4819-4824.1998. PMID: 9573247; PMCID: PMC110024.",,,,,https://pubmed.ncbi.nlm.nih.gov/21648432/,https://pubmed.ncbi.nlm.nih.gov/9573247/,,,,,472332,No,No,,,,
DBoRL2560,DB213,"N1,N4-bis[3-(dimethylamino)propyl]benzene-1,4-dicarboximidamide",N=C(C1=CC=C(C=C1)C(NCCCN(C)C)=N)NCCCN(C)C,"InChI=1S/C18H32N6/c1-23(2)13-5-11-21-17(19)15-7-9-16(10-8-15)18(20)22-12-6-14-24(3)4/h7-10H,5-6,11-14H2,1-4H3,(H2,19,21)(H2,20,22)",QAWYYAYHHZQCLB-UHFFFAOYSA-N,C18H32N6,Not Found,332.496,0.526610085,4,6,10,1,Huntington's Disease r(CAG) Repeats,Will be updated soon.,US Patent 2017/0181986 A1,30391403,,,,,US Patent 2017/0181986 A1,"2) Wang Q, Peng S, Hu Y, Wong CH, Kwan KM, Chan HYE, Zuo Z. Efficient brain uptake and distribution of an expanded CAG RNA inhibitor DB213 via intranasal administration. Eur J Pharm Sci. 2019 Jan 15;127:240-251. doi: 10.1016/j.ejps.2018.10.025. Epub 2018 Nov 1. PMID: 30391403.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30391403/,,,,,472332,No,No,,,,
DBoRL2561,Clomiphene,"(2-{4-[(1E)-2-chloro-1,2-diphenylethenyl]phenoxy}ethyl)diethylamine",Cl/C(C1=CC=CC=C1)=C(C2=CC=CC=C2)/C3=CC=C(OCCN(CC)CC)C=C3,"InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25+",GKIRPKYJQBWNGO-OCEACIFDSA-N,C26H28ClNO,"15690-57-0,911-45-5",405.97,6.474937694,0,2,9,3,HIV-1 Rev Response Element (RRE) IIB,Will be updated soon.,26896646,,,,,,"Prado S, Beltr?n M, Coiras M, Bedoya LM, Alcam? J, Gallego J. Bioavailable inhibitors of HIV-1 RNA biogenesis identified through a Rev-based screen. Biochem Pharmacol. 2016 May 1;107:14-28. doi: 10.1016/j.bcp.2016.02.007. Epub 2016 Feb 17. PMID: 26896646.",,,,,,https://pubmed.ncbi.nlm.nih.gov/26896646/,,,,,,1548953,Yes,Yes,Investigational,DB00882,https://go.drugbank.com/drugs/DB00882,
DBoRL2562,4478-7480,"3-amino-6-ethyl-5-methyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide",NC1=C(SC2=NC(CC)=C(C=C21)C)C(NC3=CC(C(F)(F)F)=CC=C3)=O,"InChI=1S/C18H16F3N3OS/c1-3-13-9(2)7-12-14(22)15(26-17(12)24-13)16(25)23-11-6-4-5-10(8-11)18(19,20)21/h4-8H,3,22H2,1-2H3,(H,23,25)",LUYIMCKIUHBELY-UHFFFAOYSA-N,C18H16F3N3OS,Not Found,379.4,5.267634399,2,3,4,3,HIV-1 Trans-Activation Response Element (TAR),Will be updated soon.,24820959,,,,,,"Sztuba-Solinska J, Shenoy SR, Gareiss P, Krumpe LR, Le Grice SF, O'Keefe BR, Schneekloth JS Jr. Identification of biologically active, HIV TAR RNA-binding small molecules using small molecule microarrays. J Am Chem Soc. 2014 Jun 11;136(23):8402-10. doi: 10.1021/ja502754f. Epub 2014 May 28. PMID: 24820959; PMCID: PMC4227816.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24820959/,,,,,,1276314,No,No,,,,
DBoRL2563,Aminoquinolone 7a,"6-amino-1-tert-butyl-4-oxo-7-[4-(pyridin-2-yl)piperazin-1-yl]-1,4-dihydroquinoline-3-carboxylic acid",NC1=C(C=C(N(C(C)(C)C)C=C2C(O)=O)C(C2=O)=C1)N3CCN(CC3)C4=NC=CC=C4,"InChI=1S/C23H27N5O3/c1-23(2,3)28-14-16(22(30)31)21(29)15-12-17(24)19(13-18(15)28)26-8-10-27(11-9-26)20-6-4-5-7-25-20/h4-7,12-14H,8-11,24H2,1-3H3,(H,30,31)",MQDMMKWCYLAEMP-UHFFFAOYSA-N,C23H27N5O3,Not Found,421.501,2.299700309,2,8,4,4,HIV-1 Trans-Activation Response Element (TAR),Will be updated soon.,11020296,,,,,,"Cecchetti V, Parolin C, Moro S, Pecere T, Filipponi E, Calistri A, Tabarrini O, Gatto B, Palumbo M, Fravolini A, Palu' G. 6-Aminoquinolones as new potential anti-HIV agents. J Med Chem. 2000 Oct 5;43(20):3799-802. doi: 10.1021/jm9903390. PMID: 11020296.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11020296/,,,,,,460146,No,No,,,,
DBoRL2564,Aminoquinolone 8a,"6-amino-1-cyclopropyl-4-oxo-7-[4-(pyridin-2-yl)piperazin-1-yl]-1,4-dihydroquinoline-3-carboxylic acid",NC1=C(C=C(N(C2CC2)C=C3C(O)=O)C(C3=O)=C1)N4CCN(CC4)C5=NC=CC=C5,"InChI=1S/C22H23N5O3/c23-17-11-15-18(27(14-4-5-14)13-16(21(15)28)22(29)30)12-19(17)25-7-9-26(10-8-25)20-3-1-2-6-24-20/h1-3,6,11-14H,4-5,7-10,23H2,(H,29,30)",USFBRPFCJRPYBI-UHFFFAOYSA-N,C22H23N5O3,Not Found,405.458,1.6087601,2,8,4,5,HIV-1 Trans-Activation Response Element (TAR),Will be updated soon.,11020296,,,,,,"Cecchetti V, Parolin C, Moro S, Pecere T, Filipponi E, Calistri A, Tabarrini O, Gatto B, Palumbo M, Fravolini A, Palu' G. 6-Aminoquinolones as new potential anti-HIV agents. J Med Chem. 2000 Oct 5;43(20):3799-802. doi: 10.1021/jm9903390. PMID: 11020296.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11020296/,,,,,,481124,No,No,,,,
DBoRL2565,Aminoquinolone 22a,"6-fluoro-1-methyl-4-oxo-7-[4-(pyridin-2-yl)piperazin-1-yl]-1,4-dihydroquinoline-3-carboxylic acid",FC1=C(C=C(N(C)C=C2C(O)=O)C(C2=O)=C1)N3CCN(CC3)C4=NC=CC=C4,"InChI=1S/C20H19FN4O3/c1-23-12-14(20(27)28)19(26)13-10-15(21)17(11-16(13)23)24-6-8-25(9-7-24)18-4-2-3-5-22-18/h2-5,10-12H,6-9H2,1H3,(H,27,28)",LHDJWUNMQLWBJR-UHFFFAOYSA-N,C20H19FN4O3,Not Found,382.395,1.927184755,1,7,3,4,HIV-1 Trans-Activation Response Element (TAR),Will be updated soon.,11020296,,,,,,"Cecchetti V, Parolin C, Moro S, Pecere T, Filipponi E, Calistri A, Tabarrini O, Gatto B, Palumbo M, Fravolini A, Palu' G. 6-Aminoquinolones as new potential anti-HIV agents. J Med Chem. 2000 Oct 5;43(20):3799-802. doi: 10.1021/jm9903390. PMID: 11020296.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11020296/,,,,,,481132,No,No,,,,
DBoRL2566,WM5,"6-amino-1-methyl-4-oxo-7-[4-(pyridin-2-yl)piperazin-1-yl]-1,4-dihydroquinoline-3-carboxylic acid",NC1=C(N2CCN(CC2)C3=CC=CC=N3)C=C4N(C=C(C(C4=C1)=O)C(O)=O)C,"InChI=1S/C20H21N5O3/c1-23-12-14(20(27)28)19(26)13-10-15(21)17(11-16(13)23)24-6-8-25(9-7-24)18-4-2-3-5-22-18/h2-5,10-12H,6-9,21H2,1H3,(H,27,28)",JZAYPNOYPQPYNB-UHFFFAOYSA-N,C20H21N5O3,Not Found,379.42,1.124083536,2,8,3,4,HIV-1 Trans-Activation Response Element (TAR),Will be updated soon.,11020296,12604517,,,,,"1) Cecchetti V, Parolin C, Moro S, Pecere T, Filipponi E, Calistri A, Tabarrini O, Gatto B, Palumbo M, Fravolini A, Palu' G. 6-Aminoquinolones as new potential anti-HIV agents. J Med Chem. 2000 Oct 5;43(20):3799-802. doi: 10.1021/jm9903390. PMID: 11020296.","2) Parolin C, Gatto B, Del Vecchio C, Pecere T, Tramontano E, Cecchetti V, Fravolini A, Masiero S, Palumbo M, Pal? G. New anti-human immunodeficiency virus type 1 6-aminoquinolones: mechanism of action. Antimicrob Agents Chemother. 2003 Mar;47(3):889-96. doi: 10.1128/AAC.47.3.889-896.2003. PMID: 12604517; PMCID: PMC149318.",,,,,https://pubmed.ncbi.nlm.nih.gov/11020296/,https://pubmed.ncbi.nlm.nih.gov/12604517/,,,,,481127,No,No,,,,
DBoRL2567,DB60,"2-(4-{5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]furan-2-yl}phenyl)-4,5-dihydro-1H-imidazole",C1(C2=CC=C(C3=NCCN3)C=C2)=CC=C(C4=CC=C(C5=NCCN5)C=C4)O1,"InChI=1S/C22H20N4O/c1-5-17(21-23-11-12-24-21)6-2-15(1)19-9-10-20(27-19)16-3-7-18(8-4-16)22-25-13-14-26-22/h1-10H,11-14H2,(H,23,24)(H,25,26)",VOFBXZAWHLGYKW-UHFFFAOYSA-N,C22H20N4O,80498-71-1,356.429,2.748402299,2,4,4,5,HIV-1 Trans-Activation Response Element (TAR),Will be updated soon.,10428378,,,,,,"Gelus N, Bailly C, Hamy F, Klimkait T, Wilson WD, Boykin DW. Inhibition of HIV-1 Tat-TAR interaction by diphenylfuran derivatives: effects of the terminal basic side chains. Bioorg Med Chem. 1999 Jun;7(6):1089-96. doi: 10.1016/s0968-0896(99)00041-3. PMID: 10428378.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10428378/,,,,,,456460,No,No,,,,
DBoRL2568,DB75 / Furamidine,4-[5-(4-carbamimidoylphenyl)furan-2-yl]benzene-1-carboximidamide,N=C(N)C(C=C1)=CC=C1C2=CC=C(C3=CC=C(C(N)=N)C=C3)O2,"InChI=1S/C18H16N4O/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22)",ZJHZBDRZEZEDGB-UHFFFAOYSA-N,C18H16N4O,"73819-26-8,55368-40-6",304.353,2.088881256,4,4,4,3,HIV-1 Trans-Activation Response Element (TAR),Will be updated soon.,10428378,,,,,,"Gelus N, Bailly C, Hamy F, Klimkait T, Wilson WD, Boykin DW. Inhibition of HIV-1 Tat-TAR interaction by diphenylfuran derivatives: effects of the terminal basic side chains. Bioorg Med Chem. 1999 Jun;7(6):1089-96. doi: 10.1016/s0968-0896(99)00041-3. PMID: 10428378.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10428378/,,,,,,126437,No,No,,,,
DBoRL2569,DB75 / Furamidine,4-[5-(4-carbamimidoylphenyl)furan-2-yl]benzene-1-carboximidamide,N=C(N)C(C=C1)=CC=C1C2=CC=C(C3=CC=C(C(N)=N)C=C3)O2,"InChI=1S/C18H16N4O/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22)",ZJHZBDRZEZEDGB-UHFFFAOYSA-N,C18H16N4O,"73819-26-8,55368-40-6",304.353,2.088881256,4,4,4,3,Huntington's Disease r(CAG) Repeats,Will be updated soon.,29506378,,,,,,"Matthes F, Massari S, Bochicchio A, Schorpp K, Schilling J, Weber S, Offermann N, Desantis J, Wanker E, Carloni P, Hadian K, Tabarrini O, Rossetti G, Krauss S. Reducing Mutant Huntingtin Protein Expression in Living Cells by a Newly Identified RNA CAG Binder. ACS Chem Neurosci. 2018 Jun 20;9(6):1399-1408. doi: 10.1021/acschemneuro.8b00027. Epub 2018 Mar 14. PMID: 29506378.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29506378/,,,,,,126437,No,No,,,,
DBoRL2570,Prochlorperazine,2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine,ClC(C=C1)=CC2=C1SC3=CC=CC=C3N2CCCN4CCN(C)CC4,"InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3",WIKYUJGCLQQFNW-UHFFFAOYSA-N,C20H24ClN3S,58-38-8,373.94,4.382119821,0,3,4,4,HIV-1 Trans-Activation Response Element (TAR),Will be updated soon.,11880033,,,,,,"Lind KE, Du Z, Fujinaga K, Peterlin BM, James TL. Structure-based computational database screening, in vitro assay, and NMR assessment of compounds that target TAR RNA. Chem Biol. 2002 Feb;9(2):185-93. doi: 10.1016/s1074-5521(02)00106-0. PMID: 11880033.",,,,,,https://pubmed.ncbi.nlm.nih.gov/11880033/,,,,,,4917,Yes,Yes,Vet_approved,DB00433,https://go.drugbank.com/drugs/DB00433,
DBoRL2571,Quinozaline 3,"quinazoline-2,4,5,6-tetramine",NC1=CC=C(C2=C1N)N=C(N=C2N)N,"InChI=1S/C8H10N6/c9-3-1-2-4-5(6(3)10)7(11)14-8(12)13-4/h1-2H,9-10H2,(H4,11,12,13,14)",QTMJIODDNNBRTK-UHFFFAOYSA-N,C8H10N6,215182-74-4,190.21,-0.617397726,4,6,0,2,HIV-1 Trans-Activation Response Element (TAR),Will be updated soon.,9760258,,,,,,"Mei HY, Cui M, Heldsinger A, Lemrow SM, Loo JA, Sannes-Lowery KA, Sharmeen L, Czarnik AW. Inhibitors of protein-RNA complexation that target the RNA: specific recognition of human immunodeficiency virus type 1 TAR RNA by small organic molecules. Biochemistry. 1998 Oct 6;37(40):14204-12. doi: 10.1021/bi981308u. PMID: 9760258.",,,,,,https://pubmed.ncbi.nlm.nih.gov/9760258/,,,,,,471148,No,No,,,,
DBoRL2572,S-Amino Acid Conjugate 1b,"(2S)-2,6-diamino-N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]hexanamide",CC(NC1=NC(C2=CC(NC([C@@H](N)CCCCN)=O)=CC=C2)=CS1)=O,"InChI=1S/C17H23N5O2S/c1-11(23)20-17-22-15(10-25-17)12-5-4-6-13(9-12)21-16(24)14(19)7-2-3-8-18/h4-6,9-10,14H,2-3,7-8,18-19H2,1H3,(H,21,24)(H,20,22,23)/t14-/m0/s1",AWHGTTNOPPBCNB-AWEZNQCLSA-N,C17H23N5O2S,Not Found,361.46,0.028241558,4,5,8,2,HIV-1 Trans-Activation Response Element (TAR),Will be updated soon.,24431237,,,,,,"Joly JP, Mata G, Eldin P, Briant L, Fontaine-Vive F, Duca M, Benhida R. Artificial nucleobase-amino acid conjugates: a new class of TAR RNA binding agents. Chemistry. 2014 Feb 10;20(7):2071-9. doi: 10.1002/chem.201303664. Epub 2014 Jan 15. PMID: 24431237.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24431237/,,,,,,86577805,No,No,,,,
DBoRL2573,S-Amino Acid Conjugate 3b,"(2S)-2-amino-N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-3-(1H-imidazol-4-yl)propanamide",CC(NC1=NC(C2=CC(NC([C@H](CC3=CNC=N3)N)=O)=CC=C2)=CS1)=O,"InChI=1S/C17H18N6O2S/c1-10(24)21-17-23-15(8-26-17)11-3-2-4-12(5-11)22-16(25)14(18)6-13-7-19-9-20-13/h2-5,7-9,14H,6,18H2,1H3,(H,19,20)(H,22,25)(H,21,23,24)/t14-/m0/s1",KIASXOAQBPONKU-AWEZNQCLSA-N,C17H18N6O2S,Not Found,370.43,0.633313817,4,5,6,3,HIV-1 Trans-Activation Response Element (TAR),Will be updated soon.,24431237,,,,,,"Joly JP, Mata G, Eldin P, Briant L, Fontaine-Vive F, Duca M, Benhida R. Artificial nucleobase-amino acid conjugates: a new class of TAR RNA binding agents. Chemistry. 2014 Feb 10;20(7):2071-9. doi: 10.1002/chem.201303664. Epub 2014 Jan 15. PMID: 24431237.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24431237/,,,,,,86577807,No,No,,,,
DBoRL2574,ST4133609,"3-amino-6-methyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide",CC1=CC=C2C(SC(C(NC3=CC(C(F)(F)F)=CC=C3)=O)=C2N)=N1,"InChI=1S/C16H12F3N3OS/c1-8-5-6-11-12(20)13(24-15(11)21-8)14(23)22-10-4-2-3-9(7-10)16(17,18)19/h2-7H,20H2,1H3,(H,22,23)",KSGGAEDZOKHNCZ-UHFFFAOYSA-N,C16H12F3N3OS,Not Found,351.35,4.053677163,2,3,3,3,HIV-1 Trans-Activation Response Element (TAR),Will be updated soon.,24820959,30465585,,,,,"1) Sztuba-Solinska J, Shenoy SR, Gareiss P, Krumpe LR, Le Grice SF, O'Keefe BR, Schneekloth JS Jr. Identification of biologically active, HIV TAR RNA-binding small molecules using small molecule microarrays. J Am Chem Soc. 2014 Jun 11;136(23):8402-10. doi: 10.1021/ja502754f. Epub 2014 May 28. PMID: 24820959; PMCID: PMC4227816.","2) Li XD, Liu L, Cheng L. Identification of thienopyridine carboxamides as selective binders of HIV-1 trans Activation Response (TAR) and Rev Response Element (RRE) RNAs. Org Biomol Chem. 2018 Dec 5;16(47):9191-9196. doi: 10.1039/c8ob02753f. PMID: 30465585.",,,,,https://pubmed.ncbi.nlm.nih.gov/24820959/,https://pubmed.ncbi.nlm.nih.gov/30465585/,,,,,16762254,No,No,,,,
DBoRL2575,DPQ,"6,7-dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine",NC1=NC(N2CCNCC2)=NC3=CC(OC)=C(OC)C=C31,"InChI=1S/C14H19N5O2/c1-20-11-7-9-10(8-12(11)21-2)17-14(18-13(9)15)19-5-3-16-4-6-19/h7-8,16H,3-6H2,1-2H3,(H2,15,17,18)",APKHJGDGWQDBGM-UHFFFAOYSA-N,C14H19N5O2,60547-97-9,289.339,1.126153105,2,7,3,3,Influenza A Virus Promoter,Will be updated soon.,25676805,24247110,,,,,"1) Bottini A, De SK, Wu B, Tang C, Varani G, Pellecchia M. Targeting Influenza A Virus RNA Promoter. Chem Biol Drug Des. 2015 Oct;86(4):663-73. doi: 10.1111/cbdd.12534. Epub 2015 Mar 13. PMID: 25676805; PMCID: PMC4531110.","2) Lee MK, Bottini A, Kim M, Bardaro MF Jr, Zhang Z, Pellecchia M, Choi BS, Varani G. A novel small-molecule binds to the influenza A virus RNA promoter and inhibits viral replication. Chem Commun (Camb). 2014 Jan 11;50(3):368-70. doi: 10.1039/c3cc46973e. Epub 2013 Nov 18. Erratum in: Chem Commun (Camb). 2014 Oct 25;50(83):12578. PMID: 24247110; PMCID: PMC3894927.",,,,,https://pubmed.ncbi.nlm.nih.gov/25676805/,https://pubmed.ncbi.nlm.nih.gov/24247110/,,,,,616267,No,No,,,,
DBoRL2576,DPQ 6,"1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]propan-1-one",NC1=NC(N2CCN(C(CC)=O)CC2)=NC3=CC(OC)=C(OC)C=C31,"InChI=1S/C17H23N5O3/c1-4-15(23)21-5-7-22(8-6-21)17-19-12-10-14(25-3)13(24-2)9-11(12)16(18)20-17/h9-10H,4-8H2,1-3H3,(H2,18,19,20)",NRTSKRXJOMGJLS-UHFFFAOYSA-N,C17H23N5O3,Not Found,345.403,1.436631227,1,7,4,3,Influenza A Virus Promoter,Will be updated soon.,25676805,24247110,,,,,"1) Bottini A, De SK, Wu B, Tang C, Varani G, Pellecchia M. Targeting Influenza A Virus RNA Promoter. Chem Biol Drug Des. 2015 Oct;86(4):663-73. doi: 10.1111/cbdd.12534. Epub 2015 Mar 13. PMID: 25676805; PMCID: PMC4531110.","2) Lee MK, Bottini A, Kim M, Bardaro MF Jr, Zhang Z, Pellecchia M, Choi BS, Varani G. A novel small-molecule binds to the influenza A virus RNA promoter and inhibits viral replication. Chem Commun (Camb). 2014 Jan 11;50(3):368-70. doi: 10.1039/c3cc46973e. Epub 2013 Nov 18. Erratum in: Chem Commun (Camb). 2014 Oct 25;50(83):12578. PMID: 24247110; PMCID: PMC3894927.",,,,,https://pubmed.ncbi.nlm.nih.gov/25676805/,https://pubmed.ncbi.nlm.nih.gov/24247110/,,,,,129849808,No,No,,,,
DBoRL2577,DPQ 7,"1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-methylpropan-1-one",NC1=NC(N2CCN(C(C(C)C)=O)CC2)=NC3=CC(OC)=C(OC)C=C31,"InChI=1S/C18H25N5O3/c1-11(2)17(24)22-5-7-23(8-6-22)18-20-13-10-15(26-4)14(25-3)9-12(13)16(19)21-18/h9-11H,5-8H2,1-4H3,(H2,19,20,21)",BTIFMWIWSLFGGT-UHFFFAOYSA-N,C18H25N5O3,Not Found,359.43,1.979617506,1,7,4,3,Influenza A Virus Promoter,Will be updated soon.,25676805,24247110,,,,,"1) Bottini A, De SK, Wu B, Tang C, Varani G, Pellecchia M. Targeting Influenza A Virus RNA Promoter. Chem Biol Drug Des. 2015 Oct;86(4):663-73. doi: 10.1111/cbdd.12534. Epub 2015 Mar 13. PMID: 25676805; PMCID: PMC4531110.","2) Lee MK, Bottini A, Kim M, Bardaro MF Jr, Zhang Z, Pellecchia M, Choi BS, Varani G. A novel small-molecule binds to the influenza A virus RNA promoter and inhibits viral replication. Chem Commun (Camb). 2014 Jan 11;50(3):368-70. doi: 10.1039/c3cc46973e. Epub 2013 Nov 18. Erratum in: Chem Commun (Camb). 2014 Oct 25;50(83):12578. PMID: 24247110; PMCID: PMC3894927.",,,,,https://pubmed.ncbi.nlm.nih.gov/25676805/,https://pubmed.ncbi.nlm.nih.gov/24247110/,,,,,154993081,No,No,,,,
DBoRL2578,DPQ 8,"1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]butan-1-one",NC1=NC(N2CCN(C(CCC)=O)CC2)=NC3=CC(OC)=C(OC)C=C31,"InChI=1S/C18H25N5O3/c1-4-5-16(24)22-6-8-23(9-7-22)18-20-13-11-15(26-3)14(25-2)10-12(13)17(19)21-18/h10-11H,4-9H2,1-3H3,(H2,19,20,21)",PSXGCXFMZBZSKZ-UHFFFAOYSA-N,C18H25N5O3,Not Found,359.43,1.881199892,1,7,5,3,Influenza A Virus Promoter,Will be updated soon.,25676805,24247110,,,,,"1) Bottini A, De SK, Wu B, Tang C, Varani G, Pellecchia M. Targeting Influenza A Virus RNA Promoter. Chem Biol Drug Des. 2015 Oct;86(4):663-73. doi: 10.1111/cbdd.12534. Epub 2015 Mar 13. PMID: 25676805; PMCID: PMC4531110.","2) Lee MK, Bottini A, Kim M, Bardaro MF Jr, Zhang Z, Pellecchia M, Choi BS, Varani G. A novel small-molecule binds to the influenza A virus RNA promoter and inhibits viral replication. Chem Commun (Camb). 2014 Jan 11;50(3):368-70. doi: 10.1039/c3cc46973e. Epub 2013 Nov 18. Erratum in: Chem Commun (Camb). 2014 Oct 25;50(83):12578. PMID: 24247110; PMCID: PMC3894927.",,,,,https://pubmed.ncbi.nlm.nih.gov/25676805/,https://pubmed.ncbi.nlm.nih.gov/24247110/,,,,,2794187,No,No,,,,
DBoRL2579,DPQ 10,"2-(4-cyclopropanecarbonylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine",NC1=NC(N2CCN(C(C3CC3)=O)CC2)=NC4=CC(OC)=C(OC)C=C41,"InChI=1S/C18H23N5O3/c1-25-14-9-12-13(10-15(14)26-2)20-18(21-16(12)19)23-7-5-22(6-8-23)17(24)11-3-4-11/h9-11H,3-8H2,1-2H3,(H2,19,20,21)",PQAOBJDQAFJTBT-UHFFFAOYSA-N,C18H23N5O3,Not Found,357.414,1.515891603,1,7,4,4,Influenza A Virus Promoter,Will be updated soon.,25676805,24247110,,,,,"1) Bottini A, De SK, Wu B, Tang C, Varani G, Pellecchia M. Targeting Influenza A Virus RNA Promoter. Chem Biol Drug Des. 2015 Oct;86(4):663-73. doi: 10.1111/cbdd.12534. Epub 2015 Mar 13. PMID: 25676805; PMCID: PMC4531110.","2) Lee MK, Bottini A, Kim M, Bardaro MF Jr, Zhang Z, Pellecchia M, Choi BS, Varani G. A novel small-molecule binds to the influenza A virus RNA promoter and inhibits viral replication. Chem Commun (Camb). 2014 Jan 11;50(3):368-70. doi: 10.1039/c3cc46973e. Epub 2013 Nov 18. Erratum in: Chem Commun (Camb). 2014 Oct 25;50(83):12578. PMID: 24247110; PMCID: PMC3894927.",,,,,https://pubmed.ncbi.nlm.nih.gov/25676805/,https://pubmed.ncbi.nlm.nih.gov/24247110/,,,,,20473772,No,No,,,,
DBoRL2580,Compound 43 (MTDB),"ethyl 2-({4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbonyl}amino)benzoate",CC1=NC(CN2CCCN(CC2)C(NC3=CC=CC=C3C(OCC)=O)=O)=CS1,"InChI=1S/C20H26N4O3S/c1-3-27-19(25)17-7-4-5-8-18(17)22-20(26)24-10-6-9-23(11-12-24)13-16-14-28-15(2)21-16/h4-5,7-8,14H,3,6,9-13H2,1-2H3,(H,22,26)",CBFHJMRYCIDMKO-UHFFFAOYSA-N,C20H26N4O3S,Not Found,402.51,2.829929536,1,4,6,3,Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) Pseudoknot,Will be updated soon.,21591761,24446874,,,,,"1) Park SJ, Kim YG, Park HJ. Identification of RNA pseudoknot-binding ligand that inhibits the -1 ribosomal frameshifting of SARS-coronavirus by structure-based virtual screening. J Am Chem Soc. 2011 Jul 6;133(26):10094-100. doi: 10.1021/ja1098325. Epub 2011 Jun 14. Erratum in: J Am Chem Soc. 2011 Sep 7;133(35):14150. PMID: 21591761.","2) Ritchie DB, Soong J, Sikkema WK, Woodside MT. Anti-frameshifting ligand reduces the conformational plasticity of the SARS virus pseudoknot. J Am Chem Soc. 2014 Feb 12;136(6):2196-9. doi: 10.1021/ja410344b. Epub 2014 Jan 28. PMID: 24446874.",,,,,https://pubmed.ncbi.nlm.nih.gov/21591761/,https://pubmed.ncbi.nlm.nih.gov/24446874/,,,,,23850430,No,No,,,,
DBoRL2581,Compound 1 (2017),N-{2-[4-({4-[2-(diethylamino)ethoxy]phenyl}amino)quinazolin-2-yl]phenyl}-3-(4-methylpiperazin-1-yl)propanamide,CCN(CC)CCOC(C=C1)=CC=C1NC2=NC(C3=C(NC(CCN4CCN(C)CC4)=O)C=CC=C3)=NC5=CC=CC=C52,"InChI=1S/C34H43N7O2/c1-4-40(5-2)24-25-43-27-16-14-26(15-17-27)35-33-29-11-7-9-13-31(29)37-34(38-33)28-10-6-8-12-30(28)36-32(42)18-19-41-22-20-39(3)21-23-41/h6-17H,4-5,18-25H2,1-3H3,(H,36,42)(H,35,37,38)",VIBJAHJNWHZSJP-UHFFFAOYSA-N,C34H43N7O2,1637443-98-1,581.765,5.4547948,2,8,13,5,Human Vascular Endothelial Growth Factor A (hVEGF-A) G-Quadruplex Forming Sequence,Will be updated soon.,28530833,,,,,,"Wang SK, Wu Y, Wang XQ, Kuang GT, Zhang Q, Lin SL, Liu HY, Tan JH, Huang ZS, Ou TM. Discovery of Small Molecules for Repressing Cap-Independent Translation of Human Vascular Endothelial Growth Factor (hVEGF) as Novel Antitumor Agents. J Med Chem. 2017 Jul 13;60(13):5306-5319. doi: 10.1021/acs.jmedchem.6b01444. Epub 2017 Jun 16. PMID: 28530833.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28530833/,,,,,,131704486,No,No,,,,
DBoRL2582,Targapremir-18a,"N-(3-azidopropyl)-4-(2,6-di-tert-butyl-4-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamide",CN1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(C=C3)NC(C5=CC(C(C)(C)C)=C(C(C(C)(C)C)=C5)OCCCC(NCCCN=[N+]=[N-])=O)=N4,"InChI=1S/C39H52N8O2/c1-38(2,3)31-24-29(25-32(39(4,5)6)36(31)49-23-8-10-35(48)41-17-9-18-42-45-40)37-43-33-16-13-28(26-34(33)44-37)27-11-14-30(15-12-27)47-21-19-46(7)20-22-47/h11-16,24-26H,8-10,17-23H2,1-7H3,(H,41,48)(H,43,44)",KGMHEDHKCHTFNQ-UHFFFAOYSA-N,C39H52N8O2,Not Found,664.899,7.429697183,2,7,14,5,pre-miRNA-18a,Will be updated soon.,28386598,,,,,,"Velagapudi SP, Luo Y, Tran T, Haniff HS, Nakai Y, Fallahi M, Martinez GJ, Childs-Disney JL, Disney MD. Defining RNA-Small Molecule Affinity Landscapes Enables Design of a Small Molecule Inhibitor of an Oncogenic Noncoding RNA. ACS Cent Sci. 2017 Mar 22;3(3):205-216. doi: 10.1021/acscentsci.7b00009. Epub 2017 Mar 6. PMID: 28386598; PMCID: PMC5364451.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28386598/,,,,,,Not Found,No,No,,,,
DBoRL2583,Targapremir-210,"N-(3-azidopropyl)-4-(3-{5-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamide",CN1CCN(CC1)C2=CC=C3C(NC(C4=CC5=C(C=C4)NC(C6=CC=CC(OCCCC(NCCCN=[N+]=[N-])=O)=C6)=N5)=N3)=C2,"InChI=1S/C32H36N10O2/c1-41-14-16-42(17-15-41)24-9-11-27-29(21-24)39-32(37-27)23-8-10-26-28(20-23)38-31(36-26)22-5-2-6-25(19-22)44-18-3-7-30(43)34-12-4-13-35-40-33/h2,5-6,8-11,19-21H,3-4,7,12-18H2,1H3,(H,34,43)(H,36,38)(H,37,39)",PAYVJEWMAWLKAP-UHFFFAOYSA-N,C32H36N10O2,1049722-30-6,592.708,4.003387712,3,8,12,6,pre-miRNA-210,Will be updated soon.,28240549,30726072,,,,,"1) Costales MG, Haga CL, Velagapudi SP, Childs-Disney JL, Phinney DG, Disney MD. Small Molecule Inhibition of microRNA-210 Reprograms an Oncogenic Hypoxic Circuit. J Am Chem Soc. 2017 Mar 8;139(9):3446-3455. doi: 10.1021/jacs.6b11273. Epub 2017 Feb 27. PMID: 28240549; PMCID: PMC5810126.","2) Costales MG, Hoch DG, Abegg D, Childs-Disney JL, Velagapudi SP, Adibekian A, Disney MD. A Designed Small Molecule Inhibitor of a Non-Coding RNA Sensitizes HER2 Negative Cancers to Herceptin. J Am Chem Soc. 2019 Feb 20;141(7):2960-2974. doi: 10.1021/jacs.8b10558. Epub 2019 Feb 6. PMID: 30726072; PMCID: PMC6400281.",,,,,https://pubmed.ncbi.nlm.nih.gov/28240549/,https://pubmed.ncbi.nlm.nih.gov/30726072/,,,,,44221088,No,No,,,,
DBoRL2584,Compound 2ab,"4-acetyl-N-[(2S)-6-amino-1-[(3R,5S)-3,5-diaminopiperidin-1-yl]-1-oxohexan-2-yl]benzamide",O=C([C@H](CCCCN)NC(C1=CC=C(C(C)=O)C=C1)=O)N2C[C@H](N)C[C@H](N)C2,"InChI=1S/C20H31N5O3/c1-13(26)14-5-7-15(8-6-14)19(27)24-18(4-2-3-9-21)20(28)25-11-16(22)10-17(23)12-25/h5-8,16-18H,2-4,9-12,21-23H2,1H3,(H,24,27)/t16-,17+,18-/m0/s1",RTSGZJWSKVMODX-KSZLIROESA-N,C20H31N5O3,Not Found,389.5,-1.425532607,4,6,8,2,Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA,Will be updated soon.,20564282,,,,,,"Carnevali M, Parsons J, Wyles DL, Hermann T. A modular approach to synthetic RNA binders of the hepatitis C virus internal ribosome entry site. Chembiochem. 2010 Jul 5;11(10):1364-7. doi: 10.1002/cbic.201000177. PMID: 20564282; PMCID: PMC3517111.",,,,,,https://pubmed.ncbi.nlm.nih.gov/20564282/,,,,,,24767790,No,No,,,,
DBoRL2585,NSC260594,1-methyl-4-{[4-({4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}-6-nitroquinolin-1-ium,C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(C3=CC=C(C=C3)NC4=C5C=C(C=CC5=[N+](C=C4)C)[N+]([O-])=O)=O,"InChI=1S/C29H24N6O3/c1-33-16-13-24(14-17-33)30-21-7-9-23(10-8-21)32-29(36)20-3-5-22(6-4-20)31-27-15-18-34(2)28-12-11-25(35(37)38)19-26(27)28/h3-19H,1-2H3,(H,32,36)/p+2",SDVVSJQTYKFAFR-UHFFFAOYSA-P,C29H26N6O3,Not Found,506.565,-3.418237332,3,5,7,5,HIV-1 Psi Stem Loop 3 (SL3),Will be updated soon.,24358934,29540207,,,,,"1) Bell NM, L'Hernault A, Murat P, Richards JE, Lever AM, Balasubramanian S. Targeting RNA-protein interactions within the human immunodeficiency virus type 1 lifecycle. Biochemistry. 2013 Dec 23;52(51):9269-74. doi: 10.1021/bi401270d. Epub 2013 Dec 10. PMID: 24358934; PMCID: PMC3928988.","2) Ingemarsdotter CK, Zeng J, Long Z, Lever AML, Kenyon JC. An RNA-binding compound that stabilizes the HIV-1 gRNA packaging signal structure and specifically blocks HIV-1 RNA encapsidation. Retrovirology. 2018 Mar 14;15(1):25. doi: 10.1186/s12977-018-0407-4. PMID: 29540207; PMCID: PMC5853050.",,,,,https://pubmed.ncbi.nlm.nih.gov/24358934/,https://pubmed.ncbi.nlm.nih.gov/29540207/,,,,,5209682,No,No,,,,
DBoRL2586,p-Terphenyl 6b,"2,6-bis(2-aminoethyl)-4-[2',6'-bis(2-aminoethyl)-4'-methoxy-3,5-dimethyl-[1,1'-biphenyl]-4-yl]phenol",OC1=C(CCN)C=C(C2=C(C)C=C(C3=C(CCN)C=C(OC)C=C3CCN)C=C2C)C=C1CCN,"InChI=1S/C29H40N4O2/c1-18-12-24(28-20(4-8-30)16-26(35-3)17-21(28)5-9-31)13-19(2)27(18)25-14-22(6-10-32)29(34)23(15-25)7-11-33/h12-17,34H,4-11,30-33H2,1-3H3",VYJYRNLJEUCDJU-UHFFFAOYSA-N,C29H40N4O2,Not Found,476.665,2.982847411,5,6,11,3,HIV-1 Rev Response Element (RRE) IIB,Will be updated soon.,24214163,,,,,,"Gonz?lez-Bulnes L, Ib??ez I, Bedoya LM, Beltr?n M, Catal?n S, Alcam? J, Fustero S, Gallego J. Structure-based design of an RNA-binding p-terphenylene scaffold that inhibits HIV-1 Rev protein function. Angew Chem Int Ed Engl. 2013 Dec 9;52(50):13405-9. doi: 10.1002/anie.201306665. Epub 2013 Nov 8. PMID: 24214163.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24214163/,,,,,,77461004,No,No,,,,
DBoRL2587,Phenylquinolone 5,"2-{3-amino-4-[3-(piperidin-1-yl)propoxy]phenyl}-1-methyl-1,4-dihydroquinolin-4-one",O=C1C=C(C2=CC=C(OCCCN3CCCCC3)C(N)=C2)N(C)C4=CC=CC=C41,"InChI=1S/C24H29N3O2/c1-26-21-9-4-3-8-19(21)23(28)17-22(26)18-10-11-24(20(25)16-18)29-15-7-14-27-12-5-2-6-13-27/h3-4,8-11,16-17H,2,5-7,12-15,25H2,1H3",CMBGFLXTEGMDMU-UHFFFAOYSA-N,C24H29N3O2,Not Found,391.515,3.026140063,1,5,6,4,HIV-1 Trans-Activation Response Element (TAR),Will be updated soon.,19283692,11020296,,,,,"1) Gatto B, Tabarrini O, Massari S, Giaretta G, Sabatini S, Del Vecchio C, Parolin C, Fravolini A, Palumbo M, Cecchetti V. 2-Phenylquinolones as inhibitors of the HIV-1 Tat-TAR interaction. ChemMedChem. 2009 Jun;4(6):935-8. doi: 10.1002/cmdc.200800437. PMID: 19283692.","2) Cecchetti V, Parolin C, Moro S, Pecere T, Filipponi E, Calistri A, Tabarrini O, Gatto B, Palumbo M, Fravolini A, Palu' G. 6-Aminoquinolones as new potential anti-HIV agents. J Med Chem. 2000 Oct 5;43(20):3799-802. doi: 10.1021/jm9903390. PMID: 11020296.",,,,,https://pubmed.ncbi.nlm.nih.gov/19283692/,https://pubmed.ncbi.nlm.nih.gov/11020296/,,,,,44250132,No,No,,,,
DBoRL2588,Phenylquinolone 6,"2-{3-amino-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}-1-methyl-1,4-dihydroquinolin-4-one",O=C1C=C(C2=CC=C(OCCCN3CCN(C)CC3)C(N)=C2)N(C)C4=CC=CC=C41,"InChI=1S/C24H30N4O2/c1-26-11-13-28(14-12-26)10-5-15-30-24-9-8-18(16-20(24)25)22-17-23(29)19-6-3-4-7-21(19)27(22)2/h3-4,6-9,16-17H,5,10-15,25H2,1-2H3",XFPAOTFZQUPHIE-UHFFFAOYSA-N,C24H30N4O2,Not Found,406.53,2.02289351,1,6,6,4,HIV-1 Trans-Activation Response Element (TAR),Will be updated soon.,19283692,11020296,,,,,"1) Gatto B, Tabarrini O, Massari S, Giaretta G, Sabatini S, Del Vecchio C, Parolin C, Fravolini A, Palumbo M, Cecchetti V. 2-Phenylquinolones as inhibitors of the HIV-1 Tat-TAR interaction. ChemMedChem. 2009 Jun;4(6):935-8. doi: 10.1002/cmdc.200800437. PMID: 19283692.","2) Cecchetti V, Parolin C, Moro S, Pecere T, Filipponi E, Calistri A, Tabarrini O, Gatto B, Palumbo M, Fravolini A, Palu' G. 6-Aminoquinolones as new potential anti-HIV agents. J Med Chem. 2000 Oct 5;43(20):3799-802. doi: 10.1021/jm9903390. PMID: 11020296.",,,,,https://pubmed.ncbi.nlm.nih.gov/19283692/,https://pubmed.ncbi.nlm.nih.gov/11020296/,,,,,44250133,No,No,,,,
DBoRL2589,Guanine Analog 25f,"2-(cyclohexylamino)-6,9-dihydro-1H-purin-6-one",O=C1NC(NC2CCCCC2)=NC3=C1N=CN3,"InChI=1S/C11H15N5O/c17-10-8-9(13-6-12-8)15-11(16-10)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,12,13,14,15,16,17)",GYKXPJBZZJEMDI-UHFFFAOYSA-N,C11H15N5O,Not Found,233.275,0.930612876,3,4,2,3,guaA (Guanine-Sensing) Riboswitch,Will be updated soon.,29220796,,,,,,"Yan LH, Le Roux A, Boyapelly K, Lamontagne AM, Archambault MA, Picard-Jean F, Lalonde-Seguin D, St-Pierre E, Najmanovich RJ, Fortier LC, Lafontaine D, Marsault ?. Purine analogs targeting the guanine riboswitch as potential antibiotics against Clostridioides difficile. Eur J Med Chem. 2018 Jan 1;143:755-768. doi: 10.1016/j.ejmech.2017.11.079. Epub 2017 Dec 2. PMID: 29220796.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29220796/,,,,,,136994297,No,No,,,,
DBoRL2590,Lysine Analog 8,(2R)-2-amino-3-(2-aminoethanesulfonyl)propanoic acid,OC([C@@H](N)CS(CCN)(=O)=O)=O,"InChI=1S/C5H12N2O4S/c6-1-2-12(10,11)3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1",FOEVJZXMXCBPQH-BYPYZUCNSA-N,C5H12N2O4S,53526-72-0,196.22,-5.414594275,3,6,5,0,lysC (Lysine-Sensing) Riboswitch,Will be updated soon.,17143270,,,,,,"Blount KF, Wang JX, Lim J, Sudarsan N, Breaker RR. Antibacterial lysine analogs that target lysine riboswitches. Nat Chem Biol. 2007 Jan;3(1):44-9. doi: 10.1038/nchembio842. Epub 2006 Dec 3. PMID: 17143270.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17143270/,,,,,,11948927,No,No,,,,
DBoRL2591,Lysine Analog 9,(2S)-2-amino-3-(2-aminoethoxy)propanoic acid,OC([C@@H](N)COCCN)=O,"InChI=1S/C5H12N2O3/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1",SLTGLTLBIVDQKE-BYPYZUCNSA-N,C5H12N2O3,"15219-97-3,997-44-4",148.162,-4.284308165,3,5,5,0,lysC (Lysine-Sensing) Riboswitch,Will be updated soon.,17143270,,,,,,"Blount KF, Wang JX, Lim J, Sudarsan N, Breaker RR. Antibacterial lysine analogs that target lysine riboswitches. Nat Chem Biol. 2007 Jan;3(1):44-9. doi: 10.1038/nchembio842. Epub 2006 Dec 3. PMID: 17143270.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17143270/,,,,,,160555,No,No,,,,
DBoRL2592,Lysine Analog 11,"(4E)-2,6-diaminohex-4-enoic acid",OC(C(N)C/C=C/CN)=O,"InChI=1/C6H12N2O2/c7-4-2-1-3-5(8)6(9)10/h1-2,5H,3-4,7-8H2,(H,9,10)/b2-1+",XDEFUBWPXAOAME-OWOJBTEDNA-N,C6H12N2O2,Not Found,144.174,-3.547767458,3,4,4,0,lysC (Lysine-Sensing) Riboswitch,Will be updated soon.,17143270,,,,,,"Blount KF, Wang JX, Lim J, Sudarsan N, Breaker RR. Antibacterial lysine analogs that target lysine riboswitches. Nat Chem Biol. 2007 Jan;3(1):44-9. doi: 10.1038/nchembio842. Epub 2006 Dec 3. PMID: 17143270.",,,,,,https://pubmed.ncbi.nlm.nih.gov/17143270/,,,,,,10219500,No,No,,,,
DBoRL2593,GQC-05,"[2-({5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl}oxy)ethyl]dimethylamine",CC1=C2C(C=CN=C2)=C(C)C3=C1C4=CC(OCCN(C)C)=CC=C4N3,"InChI=1S/C21H23N3O/c1-13-18-12-22-8-7-16(18)14(2)21-20(13)17-11-15(5-6-19(17)23-21)25-10-9-24(3)4/h5-8,11-12,23H,9-10H2,1-4H3",FGFDMBHOYCMKEJ-UHFFFAOYSA-N,C21H23N3O,501662-77-7,333.435,3.750506054,1,3,4,4,Bcl-X G-Quadruplex Forming Sequence,Will be updated soon.,29156002,,,,,,"Weldon C, Dacanay JG, Gokhale V, Boddupally PVL, Behm-Ansmant I, Burley GA, Branlant C, Hurley LH, Dominguez C, Eperon IC. Specific G-quadruplex ligands modulate the alternative splicing of Bcl-X. Nucleic Acids Res. 2018 Jan 25;46(2):886-896. doi: 10.1093/nar/gkx1122. PMID: 29156002; PMCID: PMC5778605.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29156002/,,,,,,433806,No,No,,,,
DBoRL2594,EBAB,4-({2-[(4-carbamimidoylphenyl)amino]ethyl}amino)benzene-1-carboximidamide,N=C(N)C1=CC=C(NCCNC2=CC=C(C(N)=N)C=C2)C=C1,"InChI=1S/C16H20N6/c17-15(18)11-1-5-13(6-2-11)21-9-10-22-14-7-3-12(4-8-14)16(19)20/h1-8,21-22H,9-10H2,(H3,17,18)(H3,19,20)",XEJKYNUTJGTYGY-UHFFFAOYSA-N,C16H20N6,Not Found,296.378,0.561459892,6,6,7,2,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,Will be updated soon.,29736701,,,,,,"Neaga IO, Hambye S, Bodoki E, Palmieri C, Ansseau E, Belayew A, Oprean R, Blankert B. Affinity capillary electrophoresis for identification of active drug candidates in myotonic dystrophy type 1. Anal Bioanal Chem. 2018 Jul;410(18):4495-4507. doi: 10.1007/s00216-018-1107-6. Epub 2018 May 8. Erratum in: Anal Bioanal Chem. 2019 Jan;411(2):545. PMID: 29736701.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29736701/,,,,,,456157,No,No,,,,
DBoRL2595,Pentamidine-Like Compound 2-5,"2-(4-chlorobenzamido)-N-(3-acetamidophenyl)-1,3-thiazole-4-carboxamide",ClC1=CC=C(C(NC2=NC(C(NC3=CC(NC(C)=O)=CC=C3)=O)=CS2)=O)C=C1,"InChI=1S/C19H15ClN4O3S/c1-11(25)21-14-3-2-4-15(9-14)22-18(27)16-10-28-19(23-16)24-17(26)12-5-7-13(20)8-6-12/h2-10H,1H3,(H,21,25)(H,22,27)(H,23,24,26)",DRNJTQMUWVTJHY-UHFFFAOYSA-N,C19H15ClN4O3S,954644-88-3,414.86,3.727663582,3,4,5,3,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,Will be updated soon.,28582438,,,,,,"Gonz?lez ?L, Konieczny P, Llamusi B, Delgado-Pinar E, Borrell JI, Teixid? J, Garc?a-Espa?a E, P?rez-Alonso M, Estrada-Tejedor R, Artero R. In silico discovery of substituted pyrido[2,3-d]pyrimidines and pentamidine-like compounds with biological activity in myotonic dystrophy models. PLoS One. 2017 Jun 5;12(6):e0178931. doi: 10.1371/journal.pone.0178931. PMID: 28582438; PMCID: PMC5459475.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28582438/,,,,,,16915178,No,No,,,,
DBoRL2596,DB1246,"6-[5'-(5-carbamimidoylpyridin-2-yl)-[2,2'-bifuran]-5-yl]pyridine-3-carboximidamide",NC(C1=CC=C(C2=CC=C(C3=CC=C(C4=NC=C(C(N)=N)C=C4)O3)O2)N=C1)=N,"InChI=1S/C20H16N6O2/c21-19(22)11-1-3-13(25-9-11)15-5-7-17(27-15)18-8-6-16(28-18)14-4-2-12(10-26-14)20(23)24/h1-10H,(H3,21,22)(H3,23,24)",FAOLLIBMTHLUNT-UHFFFAOYSA-N,C20H16N6O2,Not Found,372.388,1.052710183,4,6,5,4,Frontotemporal Dementia (FTD) and Amyotrophic Lacteral Sclerosis (ALS) r(GGGGCC) Repeats,Will be updated soon.,29113975,,,,,,"Simone R, Balendra R, Moens TG, Preza E, Wilson KM, Heslegrave A, Woodling NS, Niccoli T, Gilbert-Jaramillo J, Abdelkarim S, Clayton EL, Clarke M, Konrad MT, Nicoll AJ, Mitchell JS, Calvo A, Chio A, Houlden H, Polke JM, Ismail MA, Stephens CE, Vo T, Farahat AA, Wilson WD, Boykin DW, Zetterberg H, Partridge L, Wray S, Parkinson G, Neidle S, Patani R, Fratta P, Isaacs AM. G-quadruplex-binding small molecules ameliorate?C9orf72?FTD/ALS pathology?in?vitro?and?in?vivo. EMBO Mol Med. 2018 Jan;10(1):22-31. doi: 10.15252/emmm.201707850. PMID: 29113975; PMCID: PMC5760849.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29113975/,,,,,,23156961,No,No,,,,
DBoRL2597,DB1247,"6-[5'-(5-carbamimidoylpyridin-2-yl)-[2,2'-bithiophen]-5-yl]pyridine-3-carboximidamide",NC(C1=CC=C(C2=CC=C(C3=CC=C(C4=NC=C(C(N)=N)C=C4)S3)S2)N=C1)=N,"InChI=1S/C20H16N6S2/c21-19(22)11-1-3-13(25-9-11)15-5-7-17(27-15)18-8-6-16(28-18)14-4-2-12(10-26-14)20(23)24/h1-10H,(H3,21,22)(H3,23,24)",QGJLULBHLAQZEK-UHFFFAOYSA-N,C20H16N6S2,Not Found,404.51,2.639922901,4,6,5,4,Frontotemporal Dementia (FTD) and Amyotrophic Lacteral Sclerosis (ALS) r(GGGGCC) Repeats,Will be updated soon.,29113975,,,,,,"Simone R, Balendra R, Moens TG, Preza E, Wilson KM, Heslegrave A, Woodling NS, Niccoli T, Gilbert-Jaramillo J, Abdelkarim S, Clayton EL, Clarke M, Konrad MT, Nicoll AJ, Mitchell JS, Calvo A, Chio A, Houlden H, Polke JM, Ismail MA, Stephens CE, Vo T, Farahat AA, Wilson WD, Boykin DW, Zetterberg H, Partridge L, Wray S, Parkinson G, Neidle S, Patani R, Fratta P, Isaacs AM. G-quadruplex-binding small molecules ameliorate?C9orf72?FTD/ALS pathology?in?vitro?and?in?vivo. EMBO Mol Med. 2018 Jan;10(1):22-31. doi: 10.15252/emmm.201707850. PMID: 29113975; PMCID: PMC5760849.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29113975/,,,,,,89354054,No,No,,,,
DBoRL2598,DB1273,"6-[5'-(5-carbamimidoylpyridin-2-yl)-[2,2'-biselenophen]-5-yl]pyridine-3-carboximidamide",NC(C1=CC=C(C2=CC=C(C3=CC=C(C4=NC=C(C(N)=N)C=C4)[Se]3)[Se]2)N=C1)=N,"InChI=1S/C20H16N6Se2/c21-19(22)11-1-3-13(25-9-11)15-5-7-17(27-15)18-8-6-16(28-18)14-4-2-12(10-26-14)20(23)24/h1-10H,(H3,21,22)(H3,23,24)",HBRACTFMQJALNR-UHFFFAOYSA-N,C20H16N6Se2,Not Found,498.332,1.1142,4,8,5,4,Frontotemporal Dementia (FTD) and Amyotrophic Lacteral Sclerosis (ALS) r(GGGGCC) Repeats,Will be updated soon.,29113975,,,,,,"Simone R, Balendra R, Moens TG, Preza E, Wilson KM, Heslegrave A, Woodling NS, Niccoli T, Gilbert-Jaramillo J, Abdelkarim S, Clayton EL, Clarke M, Konrad MT, Nicoll AJ, Mitchell JS, Calvo A, Chio A, Houlden H, Polke JM, Ismail MA, Stephens CE, Vo T, Farahat AA, Wilson WD, Boykin DW, Zetterberg H, Partridge L, Wray S, Parkinson G, Neidle S, Patani R, Fratta P, Isaacs AM. G-quadruplex-binding small molecules ameliorate?C9orf72?FTD/ALS pathology?in?vitro?and?in?vivo. EMBO Mol Med. 2018 Jan;10(1):22-31. doi: 10.15252/emmm.201707850. PMID: 29113975; PMCID: PMC5760849.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29113975/,,,,,,Not Found,No,No,,,,
DBoRL2599,Anthrafurandione 2a,"4,11-bis[(2-aminoethyl)amino]-5H,10H-anthra[2,3-b]furan-5,10-dione",O=C1C2=C(C(NCCN)=C(OC=C3)C3=C2NCCN)C(C4=CC=CC=C41)=O,"InChI=1S/C20H20N4O3/c21-6-8-23-16-13-5-10-27-20(13)17(24-9-7-22)15-14(16)18(25)11-3-1-2-4-12(11)19(15)26/h1-5,10,23-24H,6-9,21-22H2",PALCJDXRZVZWMC-UHFFFAOYSA-N,C20H20N4O3,Not Found,364.405,1.729418113,4,6,6,4,KRAS G-Quadruplex Forming Sequence,Will be updated soon.,29140695,,,,,,"Miglietta G, Cogoi S, Marinello J, Capranico G, Tikhomirov AS, Shchekotikhin A, Xodo LE. RNA G-Quadruplexes in Kirsten Ras (KRAS) Oncogene as Targets for Small Molecules Inhibiting Translation. J Med Chem. 2017 Dec 14;60(23):9448-9461. doi: 10.1021/acs.jmedchem.7b00622. Epub 2017 Dec 1. PMID: 29140695.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29140695/,,,,,,127042241,No,No,,,,
DBoRL2600,Anthrathiophenedione 2b,"4,11-bis[(2-aminoethyl)amino]-5H,10H-anthra[2,3-b]thiophene-5,10-dione",O=C1C2=C(C(NCCN)=C(SC=C3)C3=C2NCCN)C(C4=CC=CC=C41)=O,"InChI=1S/C20H20N4O2S/c21-6-8-23-16-13-5-10-27-20(13)17(24-9-7-22)15-14(16)18(25)11-3-1-2-4-12(11)19(15)26/h1-5,10,23-24H,6-9,21-22H2",UFTNKKBUZZUMBK-UHFFFAOYSA-N,C20H20N4O2S,Not Found,380.47,2.446319508,4,6,6,4,KRAS G-Quadruplex Forming Sequence,Will be updated soon.,29140695,,,,,,"Miglietta G, Cogoi S, Marinello J, Capranico G, Tikhomirov AS, Shchekotikhin A, Xodo LE. RNA G-Quadruplexes in Kirsten Ras (KRAS) Oncogene as Targets for Small Molecules Inhibiting Translation. J Med Chem. 2017 Dec 14;60(23):9448-9461. doi: 10.1021/acs.jmedchem.7b00622. Epub 2017 Dec 1. PMID: 29140695.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29140695/,,,,,,42630810,No,No,,,,
DBoRL2601,Aminosulfonylarylisoxazole 2,"1-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl]-2,3-dihydro-1H-indole",CC1=CC=C(C2=C(C)C(C)=NO2)C=C1S(N3C(C=CC=C4)=C4CC3)(=O)=O,"InChI=1S/C20H20N2O3S/c1-13-8-9-17(20-14(2)15(3)21-25-20)12-19(13)26(23,24)22-11-10-16-6-4-5-7-18(16)22/h4-9,12H,10-11H2,1-3H3",PXCOMHXYXRESFL-UHFFFAOYSA-N,C20H20N2O3S,Not Found,368.45,3.814460505,0,3,2,4,pre-miRNA-31,Will be updated soon.,28783765,,,,,,"Im K, Song J, Han YT, Lee S, Kang S, Hwang KW, Min H, Min KH. Identification of aminosulfonylarylisoxazole as microRNA-31 regulators. PLoS One. 2017 Aug 4;12(8):e0182331. doi: 10.1371/journal.pone.0182331. PMID: 28783765; PMCID: PMC5544221.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28783765/,,,,,,16025002,No,No,,,,
DBoRL2602,Aminosulfonylarylisoxazole 4,"2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonyl]-1,2,3,4-tetrahydroisoquinoline",O=S(C1=CC(C2=C(C)C(C)=NO2)=CC=C1OC)(N3CC(C=CC=C4)=C4CC3)=O,"InChI=1S/C21H22N2O4S/c1-14-15(2)22-27-21(14)17-8-9-19(26-3)20(12-17)28(24,25)23-11-10-16-6-4-5-7-18(16)13-23/h4-9,12H,10-11,13H2,1-3H3",GMFMJQHJXYTLCZ-UHFFFAOYSA-N,C21H22N2O4S,Not Found,398.48,3.209882519,0,4,3,4,pre-miRNA-31,Will be updated soon.,28783765,,,,,,"Im K, Song J, Han YT, Lee S, Kang S, Hwang KW, Min H, Min KH. Identification of aminosulfonylarylisoxazole as microRNA-31 regulators. PLoS One. 2017 Aug 4;12(8):e0182331. doi: 10.1371/journal.pone.0182331. PMID: 28783765; PMCID: PMC5544221.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28783765/,,,,,,20935613,No,No,,,,
DBoRL2603,PK4C9,3-[5-(1H-indole-3-carbonyl)-1H-imidazole-2-carbonyl]-1H-indol-6-ol,O=C(C1=CNC2=C1C=CC=C2)C3=CN=C(N3)C(C4=CNC5=CC(O)=CC=C54)=O,"InChI=1S/C21H14N4O3/c26-11-5-6-13-15(9-23-17(13)7-11)20(28)21-24-10-18(25-21)19(27)14-8-22-16-4-2-1-3-12(14)16/h1-10,22-23,26H,(H,24,25)",DRCVQVIMGSWRLN-UHFFFAOYSA-N,C21H14N4O3,172286-77-0,370.368,2.964986543,4,4,4,5,Survival of Motor Neuron 2 (SMN2) Exon 7 Splice Site TSL2,Will be updated soon.,29795225,,,,,,"Garcia-Lopez A, Tessaro F, Jonker HRA, Wacker A, Richter C, Comte A, Berntenis N, Schmucki R, Hatje K, Petermann O, Chiriano G, Perozzo R, Sciarra D, Konieczny P, Faustino I, Fournet G, Orozco M, Artero R, Metzger F, Ebeling M, Goekjian P, Joseph B, Schwalbe H, Scapozza L. Targeting RNA structure in SMN2 reverses spinal muscular atrophy molecular phenotypes. Nat Commun. 2018 May 23;9(1):2032. doi: 10.1038/s41467-018-04110-1. PMID: 29795225; PMCID: PMC5966403.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29795225/,,,,,,11326167,No,No,,,,
DBoRL2604,Risdiplam,"7-{4,7-diazaspiro[2.5]octan-7-yl}-2-{2,8-dimethylimidazo[1,2-b]pyridazin-6-yl}-4H-pyrido[1,2-a]pyrimidin-4-one",O=C1N2C=C(N3CC4(CC4)NCC3)C=CC2=NC(C5=NN6C(C(C)=C5)=NC(C)=C6)=C1,"InChI=1S/C22H23N7O/c1-14-9-18(26-29-11-15(2)24-21(14)29)17-10-20(30)28-12-16(3-4-19(28)25-17)27-8-7-23-22(13-27)5-6-22/h3-4,9-12,23H,5-8,13H2,1-2H3",ASKZRYGFUPSJPN-UHFFFAOYSA-N,C22H23N7O,1825352-65-5,401.474,1.179178251,1,6,2,6,Survival of Motor Neuron 2 (SMN2) pre-mRNA,Will be updated soon.,US9969754B2 (Google Patents),30519476,,,,,US9969754B2,"Poirier A, Weetall M, Heinig K, Bucheli F, Schoenlein K, Alsenz J, Bassett S, Ullah M, Senn C, Ratni H, Naryshkin N, Paushkin S, Mueller L. Risdiplam distributes and increases SMN protein in both the central nervous system and peripheral organs. Pharmacol Res Perspect. 2018 Nov 29;6(6):e00447. doi: 10.1002/prp2.447. PMID: 30519476; PMCID: PMC6262736.",,,,,https://patents.google.com/patent/US9969754B2/ja,https://pubmed.ncbi.nlm.nih.gov/30519476/,,,,,118513932,Yes,Yes,Investigational,DB15305,https://go.drugbank.com/drugs/DB15305,
DBoRL2605,SMN-C2,"3-{6,8-dimethylimidazo[1,2-a]pyrazin-2-yl}-7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-2H-chromen-2-one",CCN(CC1)[C@@H](C)CN1C2=CC=C3C(OC(C(C4=CN(C=C(C)N=C5C)C5=N4)=C3)=O)=C2,"InChI=1S/C24H27N5O2/c1-5-27-8-9-28(13-16(27)3)19-7-6-18-10-20(24(30)31-22(18)11-19)21-14-29-12-15(2)25-17(4)23(29)26-21/h6-7,10-12,14,16H,5,8-9,13H2,1-4H3/t16-/m0/s1",PETSCYDXCUXNIW-INIZCTEOSA-N,C24H27N5O2,Not Found,417.513,2.813882339,0,5,3,5,Survival of Motor Neuron 2 (SMN2) pre-mRNA,Will be updated soon.,25104390,29712837,,,,,"1) Naryshkin NA, Weetall M, Dakka A, Narasimhan J, Zhao X, Feng Z, Ling KK, Karp GM, Qi H, Woll MG, Chen G, Zhang N, Gabbeta V, Vazirani P, Bhattacharyya A, Furia B, Risher N, Sheedy J, Kong R, Ma J, Turpoff A, Lee CS, Zhang X, Moon YC, Trifillis P, Welch EM, Colacino JM, Babiak J, Almstead NG, Peltz SW, Eng LA, Chen KS, Mull JL, Lynes MS, Rubin LL, Fontoura P, Santarelli L, Haehnke D, McCarthy KD, Schmucki R, Ebeling M, Sivaramakrishnan M, Ko CP, Paushkin SV, Ratni H, Gerlach I, Ghosh A, Metzger F. Motor neuron disease. SMN2 splicing modifiers improve motor function and longevity in mice with spinal muscular atrophy. Science. 2014 Aug 8;345(6197):688-93. doi: 10.1126/science.1250127. PMID: 25104390.","2) Wang J, Schultz PG, Johnson KA. Mechanistic studies of a small-molecule modulator of SMN2 splicing. Proc Natl Acad Sci U S A. 2018 May 15;115(20):E4604-E4612. doi: 10.1073/pnas.1800260115. Epub 2018 Apr 30. PMID: 29712837; PMCID: PMC5960314.",,,,,https://pubmed.ncbi.nlm.nih.gov/25104390/,https://pubmed.ncbi.nlm.nih.gov/29712837/,,,,,89657166,No,No,,,,
DBoRL2606,SMN-C3,"2-{4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl}-7-(4-ethylpiperazin-1-yl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one",O=C1N2C=C(C=C(C2=NC(C3=NN(C4=C3)C=C(N=C4C)C)=C1)C)N5CCN(CC5)CC,"InChI=1S/C23H27N7O/c1-5-27-6-8-28(9-7-27)18-10-15(2)23-25-19(12-22(31)29(23)14-18)20-11-21-17(4)24-16(3)13-30(21)26-20/h10-14H,5-9H2,1-4H3",XSTSQNDPWRSAJL-UHFFFAOYSA-N,C23H27N7O,Not Found,417.517,1.175738107,0,6,3,5,Survival of Motor Neuron 2 (SMN2) pre-mRNA,Will be updated soon.,25104390,29712837,,,,,"1) Naryshkin NA, Weetall M, Dakka A, Narasimhan J, Zhao X, Feng Z, Ling KK, Karp GM, Qi H, Woll MG, Chen G, Zhang N, Gabbeta V, Vazirani P, Bhattacharyya A, Furia B, Risher N, Sheedy J, Kong R, Ma J, Turpoff A, Lee CS, Zhang X, Moon YC, Trifillis P, Welch EM, Colacino JM, Babiak J, Almstead NG, Peltz SW, Eng LA, Chen KS, Mull JL, Lynes MS, Rubin LL, Fontoura P, Santarelli L, Haehnke D, McCarthy KD, Schmucki R, Ebeling M, Sivaramakrishnan M, Ko CP, Paushkin SV, Ratni H, Gerlach I, Ghosh A, Metzger F. Motor neuron disease. SMN2 splicing modifiers improve motor function and longevity in mice with spinal muscular atrophy. Science. 2014 Aug 8;345(6197):688-93. doi: 10.1126/science.1250127. PMID: 25104390.","2) Wang J, Schultz PG, Johnson KA. Mechanistic studies of a small-molecule modulator of SMN2 splicing. Proc Natl Acad Sci U S A. 2018 May 15;115(20):E4604-E4612. doi: 10.1073/pnas.1800260115. Epub 2018 Apr 30. PMID: 29712837; PMCID: PMC5960314.",,,,,https://pubmed.ncbi.nlm.nih.gov/25104390/,https://pubmed.ncbi.nlm.nih.gov/29712837/,,,,,89739640,No,No,,,,
DBoRL2607,SMN-C5,"2-{8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl}-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one",CN(CC1)CCN1C(C=C2)=CN3C2=NC(C4=CN5C(C(F)=C4)=NC(C)=C5)=CC3=O,"InChI=1S/C21H21FN6O/c1-14-11-27-12-15(9-17(22)21(27)23-14)18-10-20(29)28-13-16(3-4-19(28)24-18)26-7-5-25(2)6-8-26/h3-4,9-13H,5-8H2,1-2H3",OCIABPGRNCLBEI-UHFFFAOYSA-N,C21H21FN6O,Not Found,392.438,0.522899963,0,5,2,5,Survival of Motor Neuron 2 (SMN2) pre-mRNA,Will be updated soon.,25104390,29133793,,,,,"1) Naryshkin NA, Weetall M, Dakka A, Narasimhan J, Zhao X, Feng Z, Ling KK, Karp GM, Qi H, Woll MG, Chen G, Zhang N, Gabbeta V, Vazirani P, Bhattacharyya A, Furia B, Risher N, Sheedy J, Kong R, Ma J, Turpoff A, Lee CS, Zhang X, Moon YC, Trifillis P, Welch EM, Colacino JM, Babiak J, Almstead NG, Peltz SW, Eng LA, Chen KS, Mull JL, Lynes MS, Rubin LL, Fontoura P, Santarelli L, Haehnke D, McCarthy KD, Schmucki R, Ebeling M, Sivaramakrishnan M, Ko CP, Paushkin SV, Ratni H, Gerlach I, Ghosh A, Metzger F. Motor neuron disease. SMN2 splicing modifiers improve motor function and longevity in mice with spinal muscular atrophy. Science. 2014 Aug 8;345(6197):688-93. doi: 10.1126/science.1250127. PMID: 25104390.","2) Sivaramakrishnan M, McCarthy KD, Campagne S, Huber S, Meier S, Augustin A, Heckel T, Meistermann H, Hug MN, Birrer P, Moursy A, Khawaja S, Schmucki R, Berntenis N, Giroud N, Golling S, Tzouros M, Banfai B, Duran-Pacheco G, Lamerz J, Hsiu Liu Y, Luebbers T, Ratni H, Ebeling M, Cl?ry A, Paushkin S, Krainer AR, Allain FH, Metzger F. Binding to SMN2 pre-mRNA-protein complex elicits specificity for small molecule splicing modifiers. Nat Commun. 2017 Nov 14;8(1):1476. doi: 10.1038/s41467-017-01559-4. PMID: 29133793; PMCID: PMC5684323.",,,,,https://pubmed.ncbi.nlm.nih.gov/25104390/,https://pubmed.ncbi.nlm.nih.gov/29133793/,,,,,89740936,No,No,,,,
DBoRL2608,Quindoline CK1-14,"N-({1-[3-(piperidin-1-yl)propyl]-1H-1,2,3-triazol-4-yl}methyl)-17-oxa-9-azatetracyclo[8.7.0.0?,?.0??,??]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-2-amine",C12=CC=CC=C1C(NCC3=CN(CCCN4CCCCC4)N=N3)=C5C(C(C=CC=C6)=C6O5)=N2,"InChI=1S/C26H28N6O/c1-6-13-31(14-7-1)15-8-16-32-18-19(29-30-32)17-27-24-20-9-2-4-11-22(20)28-25-21-10-3-5-12-23(21)33-26(24)25/h2-5,9-12,18H,1,6-8,13-17H2,(H,27,28)",XCZIRJZDMHCYQY-UHFFFAOYSA-N,C26H28N6O,Not Found,440.551,3.949429822,1,5,7,6,Telomeric Repeat-Containing RNA (TERRA) G-Quadruplex Forming Sequence,Will be updated soon.,28943299,,,,,,"Zhang Y, Zeng D, Cao J, Wang M, Shu B, Kuang G, Ou TM, Tan JH, Gu LQ, Huang ZS, Li D. Interaction of Quindoline derivative with telomeric repeat-containing RNA induces telomeric DNA-damage response in cancer cells through inhibition of telomeric repeat factor 2. Biochim Biophys Acta Gen Subj. 2017 Dec;1861(12):3246-3256. doi: 10.1016/j.bbagen.2017.09.015. Epub 2017 Sep 21. PMID: 28943299.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28943299/,,,,,,137647438,No,No,,,,
DBoRL2609,Topotecan,"(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione",OC1=C(CN(C)C)C2=C(N=C(C(N3C4)=CC([C@@](O)(CC)C(OC5)=O)=C5C3=O)C4=C2)C=C1,"InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1",UCFGDBYHRUNTLO-QHCPKHFHSA-N,C23H23N3O5,123948-87-8,421.453,-0.378967257,2,6,3,5,U4 small nuclear Ribonucleoprotein (snRNP),Will be updated soon.,28985478,,,,,,"Diouf B, Lin W, Goktug A, Grace CRR, Waddell MB, Bao J, Shao Y, Heath RJ, Zheng JJ, Shelat AA, Relling MV, Chen T, Evans WE. Alteration of RNA Splicing by Small-Molecule Inhibitors of the Interaction between NHP2L1 and U4. SLAS Discov. 2018 Feb;23(2):164-173. doi: 10.1177/2472555217735035. Epub 2017 Oct 6. PMID: 28985478; PMCID: PMC5783296.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28985478/,,,,,,60700,Yes,Yes,Investigational,DB01030,https://go.drugbank.com/drugs/DB01030,
DBoRL2610,Bisamidinium 6,"N1,N4-bis[3-(2,4,6-triaminopyrimidin-5-yl)propyl]benzene-1,4-dicarboximidamide",NC1=NC(N)=C(C(N)=N1)CCCNC(C2=CC=C(C(NCCCC3=C(N=C(N=C3N)N)N)=N)C=C2)=N,"InChI=1S/C22H32N14/c23-15(31-9-1-3-13-17(25)33-21(29)34-18(13)26)11-5-7-12(8-6-11)16(24)32-10-2-4-14-19(27)35-22(30)36-20(14)28/h5-8H,1-4,9-10H2,(H2,23,31)(H2,24,32)(H6,25,26,29,33,34)(H6,27,28,30,35,36)",SVEBQOFIRAWMNO-UHFFFAOYSA-N,C22H32N14,Not Found,492.596,0.199633257,10,14,10,3,Zinc-Finger Protein 9 (ZNF9) r(CCUG) Repeats,Will be updated soon.,24938413,,,,,,"Nguyen L, Lee J, Wong CH, Zimmerman SC. Small molecules that target the toxic RNA in myotonic dystrophy type 2. ChemMedChem. 2014 Nov;9(11):2455-62. doi: 10.1002/cmdc.201402095. Epub 2014 Jun 17. PMID: 24938413; PMCID: PMC4320974.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24938413/,,,,,,Not Found,No,No,,,,
DBoRL2611,Bisamidinium 8,"N1,N4-bis[4-(2,4,6-triaminopyrimidin-5-yl)butyl]benzene-1,4-dicarboximidamide",NC1=NC(N)=C(C(N)=N1)CCCCNC(C2=CC=C(C(NCCCCC3=C(N=C(N=C3N)N)N)=N)C=C2)=N,"InChI=1S/C24H36N14/c25-17(33-11-3-1-5-15-19(27)35-23(31)36-20(15)28)13-7-9-14(10-8-13)18(26)34-12-4-2-6-16-21(29)37-24(32)38-22(16)30/h7-10H,1-6,11-12H2,(H2,25,33)(H2,26,34)(H6,27,28,31,35,36)(H6,29,30,32,37,38)",XQZUNGAMIVUWQY-UHFFFAOYSA-N,C24H36N14,Not Found,520.65,1.088770587,10,14,12,3,Zinc-Finger Protein 9 (ZNF9) r(CCUG) Repeats,Will be updated soon.,24938413,,,,,,"Nguyen L, Lee J, Wong CH, Zimmerman SC. Small molecules that target the toxic RNA in myotonic dystrophy type 2. ChemMedChem. 2014 Nov;9(11):2455-62. doi: 10.1002/cmdc.201402095. Epub 2014 Jun 17. PMID: 24938413; PMCID: PMC4320974.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24938413/,,,,,,Not Found,No,No,,,,
DBoRL2612,Bisamidinium 10,"N1,N3-bis[3-(2,4,6-triaminopyrimidin-5-yl)propyl]benzene-1,3-dicarboximidamide",NC1=NC(N)=C(C(N)=N1)CCCNC(C2=CC(C(NCCCC3=C(N=C(N=C3N)N)N)=N)=CC=C2)=N,"InChI=1S/C22H32N14/c23-15(31-8-2-6-13-17(25)33-21(29)34-18(13)26)11-4-1-5-12(10-11)16(24)32-9-3-7-14-19(27)35-22(30)36-20(14)28/h1,4-5,10H,2-3,6-9H2,(H2,23,31)(H2,24,32)(H6,25,26,29,33,34)(H6,27,28,30,35,36)",IRGVQWZCKASYBF-UHFFFAOYSA-N,C22H32N14,Not Found,492.596,0.199633257,10,14,10,3,Zinc-Finger Protein 9 (ZNF9) r(CCUG) Repeats,Will be updated soon.,24938413,,,,,,"Nguyen L, Lee J, Wong CH, Zimmerman SC. Small molecules that target the toxic RNA in myotonic dystrophy type 2. ChemMedChem. 2014 Nov;9(11):2455-62. doi: 10.1002/cmdc.201402095. Epub 2014 Jun 17. PMID: 24938413; PMCID: PMC4320974.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24938413/,,,,,,Not Found,No,No,,,,
DBoRL2613,Bisamidinium 11,"N1,N3-bis[4-(2,4,6-triaminopyrimidin-5-yl)butyl]benzene-1,3-dicarboximidamide",NC1=NC(N)=C(C(N)=N1)CCCCNC(C2=CC(C(NCCCCC3=C(N=C(N=C3N)N)N)=N)=CC=C2)=N,"InChI=1S/C24H36N14/c25-17(33-10-3-1-8-15-19(27)35-23(31)36-20(15)28)13-6-5-7-14(12-13)18(26)34-11-4-2-9-16-21(29)37-24(32)38-22(16)30/h5-7,12H,1-4,8-11H2,(H2,25,33)(H2,26,34)(H6,27,28,31,35,36)(H6,29,30,32,37,38)",SEWDOFSRSOCQEA-UHFFFAOYSA-N,C24H36N14,Not Found,520.65,1.088770587,10,14,12,3,Zinc-Finger Protein 9 (ZNF9) r(CCUG) Repeats,Will be updated soon.,24938413,,,,,,"Nguyen L, Lee J, Wong CH, Zimmerman SC. Small molecules that target the toxic RNA in myotonic dystrophy type 2. ChemMedChem. 2014 Nov;9(11):2455-62. doi: 10.1002/cmdc.201402095. Epub 2014 Jun 17. PMID: 24938413; PMCID: PMC4320974.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24938413/,,,,,,Not Found,No,No,,,,
DBoRL2614,Acridine 1,"N-[3-({3-[(3-{[9-({4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]butyl}amino)acridin-4-yl]formamido}propyl)amino]propyl}amino)propyl]acetamide",CC(NCCCNCCCNCCCNC(C1=C2N=C3C=CC=CC3=C(C2=CC=C1)NCCCCNC4=NC(N)=NC(N)=N4)=O)=O,"InChI=1S/C32H46N12O2/c1-22(45)37-20-8-16-35-14-7-15-36-17-9-21-39-29(46)25-12-6-11-24-27(23-10-2-3-13-26(23)41-28(24)25)38-18-4-5-19-40-32-43-30(33)42-31(34)44-32/h2-3,6,10-13,35-36H,4-5,7-9,14-21H2,1H3,(H,37,45)(H,38,41)(H,39,46)(H5,33,34,40,42,43,44)",FEMYXBPUBNBDBZ-UHFFFAOYSA-N,C32H46N12O2,Not Found,630.802,0.639070991,8,12,20,4,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,Will be updated soon.,23480597,,,,,,"Jahromi AH, Nguyen L, Fu Y, Miller KA, Baranger AM, Zimmerman SC. A novel CUG(exp)?MBNL1 inhibitor with therapeutic potential for myotonic dystrophy type 1. ACS Chem Biol. 2013 May 17;8(5):1037-43. doi: 10.1021/cb400046u. Epub 2013 Mar 20. PMID: 23480597; PMCID: PMC3683132.",,,,,,https://pubmed.ncbi.nlm.nih.gov/23480597/,,,,,,76324680,No,No,,,,
DBoRL2615,Acridine 5,"N-{2-[bis(2-aminoethyl)amino]ethyl}-9-({4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]butyl}amino)acridine-4-carboxamide",NC1=NC(N)=NC(NCCCCNC2=C3C=CC=C(C3=NC4=CC=CC=C24)C(NCCN(CCN)CCN)=O)=N1,"InChI=1S/C27H38N12O/c28-10-15-39(16-11-29)17-14-33-24(40)20-8-5-7-19-22(18-6-1-2-9-21(18)35-23(19)20)32-12-3-4-13-34-27-37-25(30)36-26(31)38-27/h1-2,5-9H,3-4,10-17,28-29H2,(H,32,35)(H,33,40)(H5,30,31,34,36,37,38)",ZIFQKORGCQUYJG-UHFFFAOYSA-N,C27H38N12O,Not Found,546.684,0.590812715,7,12,15,4,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,Will be updated soon.,26473464,,,,,,"Nguyen L, Luu LM, Peng S, Serrano JF, Chan HY, Zimmerman SC. Rationally designed small molecules that target both the DNA and RNA causing myotonic dystrophy type 1. J Am Chem Soc. 2015 Nov 11;137(44):14180-9. doi: 10.1021/jacs.5b09266. Epub 2015 Nov 3. PMID: 26473464.",,,,,,https://pubmed.ncbi.nlm.nih.gov/26473464/,,,,,,121440641,No,No,,,,
DBoRL2616,Acridine 6,"N-{2-[(2-aminoethyl)(2-{[9-({4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]butyl}amino)acridin-4-yl]formamido}ethyl)amino]ethyl}-2-(1H-imidazol-4-yl)acetamide",NC1=NC(N)=NC(NCCCCNC2=C3C=CC=C(C3=NC4=CC=CC=C24)C(NCCN(CCNC(CC5=CNC=N5)=O)CCN)=O)=N1,"InChI=1S/C32H42N14O2/c33-10-15-46(16-13-37-26(47)18-21-19-36-20-41-21)17-14-39-29(48)24-8-5-7-23-27(22-6-1-2-9-25(22)42-28(23)24)38-11-3-4-12-40-32-44-30(34)43-31(35)45-32/h1-2,5-9,19-20H,3-4,10-18,33H2,(H,36,41)(H,37,47)(H,38,42)(H,39,48)(H5,34,35,40,43,44,45)",KXOWPNXWHWJRRO-UHFFFAOYSA-N,C32H42N14O2,Not Found,654.784,0.51137944,8,13,18,5,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,Will be updated soon.,26473464,,,,,,"Nguyen L, Luu LM, Peng S, Serrano JF, Chan HY, Zimmerman SC. Rationally designed small molecules that target both the DNA and RNA causing myotonic dystrophy type 1. J Am Chem Soc. 2015 Nov 11;137(44):14180-9. doi: 10.1021/jacs.5b09266. Epub 2015 Nov 3. PMID: 26473464.",,,,,,https://pubmed.ncbi.nlm.nih.gov/26473464/,,,,,,121440643,No,No,,,,
DBoRL2617,Bisamidinium 3,"4,6-diamino-2-({4-[({4-[({4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]butyl}amino)(iminiumyl)methyl]phenyl}(iminiumyl)methyl)amino]butyl}amino)-1,3,5-triazine-1,3-diium",NC1=NC(NCCCCNC(=[NH2+])C2=CC=C(C=C2)C(=[NH2+])NCCCCNC2=[NH+]C(N)=NC(N)=[NH+]2)=NC(N)=N1,"InChI=1S/C22H34N16/c23-15(29-9-1-3-11-31-21-35-17(25)33-18(26)36-21)13-5-7-14(8-6-13)16(24)30-10-2-4-12-32-22-37-19(27)34-20(28)38-22/h5-8H,1-4,9-12H2,(H2,23,29)(H2,24,30)(H5,25,26,31,33,35,36)(H5,27,28,32,34,37,38)/p+4",JVHOEDMDGGKRLS-UHFFFAOYSA-R,C22H38N16,Not Found,526.656,0.595029101,12,12,14,3,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,Will be updated soon.,24702247,26473464,,,,,"1) Wong CH, Nguyen L, Peh J, Luu LM, Sanchez JS, Richardson SL, Tuccinardi T, Tsoi H, Chan WY, Chan HY, Baranger AM, Hergenrother PJ, Zimmerman SC. Targeting toxic RNAs that cause myotonic dystrophy type 1 (DM1) with a bisamidinium inhibitor. J Am Chem Soc. 2014 Apr 30;136(17):6355-61. doi: 10.1021/ja5012146. Epub 2014 Apr 22. PMID: 24702247; PMCID: PMC4015652.","2) Nguyen L, Luu LM, Peng S, Serrano JF, Chan HY, Zimmerman SC. Rationally designed small molecules that target both the DNA and RNA causing myotonic dystrophy type 1. J Am Chem Soc. 2015 Nov 11;137(44):14180-9. doi: 10.1021/jacs.5b09266. Epub 2015 Nov 3. PMID: 26473464.",,,,,https://pubmed.ncbi.nlm.nih.gov/24702247/,https://pubmed.ncbi.nlm.nih.gov/26473464/,,,,,Not Found,No,No,,,,
DBoRL2618,Ethidium-Arg Conjugate 17,"3,8-diamino-6-(3-{[5-({2-[(4-carbamimidamido-1-carboxybutyl)carbamoyl]ethyl}carbamoyl)pentyl]carbamoyl}phenyl)-5-methylphenanthridin-5-ium",C[N+]1=C(C2=CC(N)=CC=C2C3=CC=C(C=C13)N)C4=CC=CC(C(NCCCCCC(NCCC(NC(C(O)=O)CCCNC(N)=N)=O)=O)=O)=C4,"InChI=1/C36H45N9O5/c1-45-30-21-25(38)12-14-27(30)26-13-11-24(37)20-28(26)33(45)22-7-5-8-23(19-22)34(48)42-16-4-2-3-10-31(46)41-18-15-32(47)44-29(35(49)50)9-6-17-43-36(39)40/h5,7-8,11-14,19-21,29,38H,2-4,6,9-10,15-18,37H2,1H3,(H8,39,40,41,42,43,44,46,47,48,49,50)/p+1",VJNVVAPKDPLESC-UHFFFAOYNA-O,C36H46N9O5,Not Found,684.821,-5.262141344,9,10,17,4,HIV-1 Trans-Activation Response Element (TAR),Will be updated soon.,10514274,,,,,,"Peytou V, Condom R, Patino N, Guedj R, Aubertin AM, Gelus N, Bailly C, Terreux R, Cabrol-Bass D. Synthesis and antiviral activity of ethidium-arginine conjugates directed against the TAR RNA of HIV-1. J Med Chem. 1999 Oct 7;42(20):4042-53. doi: 10.1021/jm980728e. PMID: 10514274.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10514274/,,,,,,6328735,No,No,,,,
DBoRL2619,Ethidium-Arg Conjugate 20,"3,8-diamino-6-(3-{[5-({2-[(5-carbamimidamido-1-methoxy-1-oxopentan-2-yl)carbamoyl]ethyl}carbamoyl)pentyl]carbamoyl}phenyl)-5-methylphenanthridin-5-ium",COC(C(NC(CCNC(CCCCCNC(C1=CC(C2=[N+](C3=CC(N)=CC=C3C4=CC=C(C=C24)N)C)=CC=C1)=O)=O)=O)CCCNC(N)=N)=O,"InChI=1/C37H47N9O5/c1-46-31-22-26(39)13-15-28(31)27-14-12-25(38)21-29(27)34(46)23-8-6-9-24(20-23)35(49)43-17-5-3-4-11-32(47)42-19-16-33(48)45-30(36(50)51-2)10-7-18-44-37(40)41/h6,8-9,12-15,20-22,30,39H,3-5,7,10-11,16-19,38H2,1-2H3,(H7,40,41,42,43,44,45,47,48,49)/p+1",RAFOQMYQNYZCSW-UHFFFAOYNA-O,C37H48N9O5,Not Found,698.848,-3.840439284,8,9,18,4,HIV-1 Trans-Activation Response Element (TAR),Will be updated soon.,10514274,,,,,,"Peytou V, Condom R, Patino N, Guedj R, Aubertin AM, Gelus N, Bailly C, Terreux R, Cabrol-Bass D. Synthesis and antiviral activity of ethidium-arginine conjugates directed against the TAR RNA of HIV-1. J Med Chem. 1999 Oct 7;42(20):4042-53. doi: 10.1021/jm980728e. PMID: 10514274.",,,,,,https://pubmed.ncbi.nlm.nih.gov/10514274/,,,,,,10605005,No,No,,,,
DBoRL2620,S-Amino Acid Conjugate 13b,"(2S)-2,6-diamino-N-{2-[(2S)-2,6-diaminohexanamido]-1-{[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]carbamoyl}ethyl}hexanamide",CC(NC1=NC(C2=CC(NC(C(NC([C@H](CCCCN)N)=O)CNC([C@H](CCCCN)N)=O)=O)=CC=C2)=CS1)=O,"InChI=1S/C26H41N9O4S/c1-16(36)32-26-35-22(15-40-26)17-7-6-8-18(13-17)33-25(39)21(34-24(38)20(30)10-3-5-12-28)14-31-23(37)19(29)9-2-4-11-27/h6-8,13,15,19-21H,2-5,9-12,14,27-30H2,1H3,(H,31,37)(H,33,39)(H,34,38)(H,32,35,36)/t19-,20-,21?/m0/s1",KUELULIDUGSXCB-AHTKWCMKSA-N,C26H41N9O4S,Not Found,575.73,-2.482860859,8,9,17,2,HIV-1 Trans-Activation Response Element (TAR),Will be updated soon.,24431237,,,,,,"Joly JP, Mata G, Eldin P, Briant L, Fontaine-Vive F, Duca M, Benhida R. Artificial nucleobase-amino acid conjugates: a new class of TAR RNA binding agents. Chemistry. 2014 Feb 10;20(7):2071-9. doi: 10.1002/chem.201303664. Epub 2014 Jan 15. PMID: 24431237.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24431237/,,,,,,86577808,No,No,,,,
DBoRL2621,S-Amino Acid Conjugate 14b,"(2S)-2-amino-N-{2-[(2S)-2-amino-5-carbamimidamidopentanamido]-1-{[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]carbamoyl}ethyl}-5-carbamimidamidopentanamide",CC(NC1=NC(C2=CC(NC(C(NC([C@H](CCCNC(N)=N)N)=O)CNC([C@H](CCCNC(N)=N)N)=O)=O)=CC=C2)=CS1)=O,"InChI=1S/C26H41N13O4S/c1-14(40)36-26-39-20(13-44-26)15-5-2-6-16(11-15)37-23(43)19(38-22(42)18(28)8-4-10-34-25(31)32)12-35-21(41)17(27)7-3-9-33-24(29)30/h2,5-6,11,13,17-19H,3-4,7-10,12,27-28H2,1H3,(H,35,41)(H,37,43)(H,38,42)(H4,29,30,33)(H4,31,32,34)(H,36,39,40)/t17-,18-,19?/m0/s1",VNLPHLLDLLBIEP-ADUPEVMXSA-N,C26H41N13O4S,Not Found,631.76,-3.585170558,12,13,17,2,HIV-1 Trans-Activation Response Element (TAR),Will be updated soon.,24431237,,,,,,"Joly JP, Mata G, Eldin P, Briant L, Fontaine-Vive F, Duca M, Benhida R. Artificial nucleobase-amino acid conjugates: a new class of TAR RNA binding agents. Chemistry. 2014 Feb 10;20(7):2071-9. doi: 10.1002/chem.201303664. Epub 2014 Jan 15. PMID: 24431237.",,,,,,https://pubmed.ncbi.nlm.nih.gov/24431237/,,,,,,86577204,No,No,,,,
DBoRL2622,"Pyrido[2,3-d]pyrimidine 1-3","4-amino-2-[({4-[({4-amino-6-methyl-7-oxo-5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-2-yl}amino)methyl]phenyl}methyl)amino]-6-methyl-5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-7-one",O=C(C(C)C1)NC2=C1C(N)=NC(NCC3=CC=C(CNC4=NC(N)=C5C(NC(C(C)C5)=O)=N4)C=C3)=N2,"InChI=1/C24H28N10O2/c1-11-7-15-17(25)29-23(33-19(15)31-21(11)35)27-9-13-3-5-14(6-4-13)10-28-24-30-18(26)16-8-12(2)22(36)32-20(16)34-24/h3-6,11-12H,7-10H2,1-2H3,(H4,25,27,29,31,33,35)(H4,26,28,30,32,34,36)",RCLLWYHCNJFSSM-UHFFFAOYNA-N,C24H28N10O2,Not Found,488.556,2.77099647,6,10,6,5,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,Will be updated soon.,28582438,,,,,,"Gonz?lez ?L, Konieczny P, Llamusi B, Delgado-Pinar E, Borrell JI, Teixid? J, Garc?a-Espa?a E, P?rez-Alonso M, Estrada-Tejedor R, Artero R. In silico discovery of substituted pyrido[2,3-d]pyrimidines and pentamidine-like compounds with biological activity in myotonic dystrophy models. PLoS One. 2017 Jun 5;12(6):e0178931. doi: 10.1371/journal.pone.0178931. PMID: 28582438; PMCID: PMC5459475.",,,,,,https://pubmed.ncbi.nlm.nih.gov/28582438/,,,,,,Not Found,No,No,,,,
DBoRL2623,Daunorubicin Hydrochloride,"(8S,10S)-8-acetyl-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione",O=C1C2=C(C(O)=C([C@@H](O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C[C@@](C(C)=O)(O)C4)C4=C2O)C(C5=C(OC)C=CC=C51)=O,"InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1",STQGQHZAVUOBTE-VGBVRHCVSA-N,C27H29NO10,20830-81-3,527.526,1.356178398,5,11,4,5,Dystrophia Myotonica Protein Kinase (DMPK) r(CUG) Repeats,Will be updated soon.,29592894,,,,,,"Chakraborty M, Sellier C, Ney M, Pascal V, Charlet-Berguerand N, Artero R, Llamusi B. Daunorubicin reduces MBNL1 sequestration caused by CUG-repeat expansion and rescues cardiac dysfunctions in a?Drosophila?model of myotonic dystrophy. Dis Model Mech. 2018 Apr 23;11(4):dmm032557. doi: 10.1242/dmm.032557. Erratum in: Dis Model Mech. 2018 May 18;11(5): PMID: 29592894; PMCID: PMC5963859.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29592894/,,,,,,30323,Yes,Yes,,DB00694,https://go.drugbank.com/drugs/DB00694,
DBoRL2624,Compound 5,5-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1-methyl-1H-imidazol-2-amine,COC1=CC=C(C2=CN=C(NCC3=CC=CC(OC)=C3)N2C)C=C1,"InChI=1S/C19H21N3O2/c1-22-18(15-7-9-16(23-2)10-8-15)13-21-19(22)20-12-14-5-4-6-17(11-14)24-3/h4-11,13H,12H2,1-3H3,(H,20,21)",LCVOJBGSGIOMKF-UHFFFAOYSA-N,C19H21N3O2,827327-28-6,323.396,3.211837063,1,4,6,3,Metastasis-Associated Lung Adenocarcinoma Transcript 1 (MALAT1) Triple Helix-Forming Sequence,Will be updated soon.,30620551,,,,,,"Abulwerdi FA, Xu W, Ageeli AA, Yonkunas MJ, Arun G, Nam H, Schneekloth JS Jr, Dayie TK, Spector D, Baird N, Le Grice SFJ. Selective Small-Molecule Targeting of a Triple Helix Encoded by the Long Noncoding RNA, MALAT1. ACS Chem Biol. 2019 Feb 15;14(2):223-235. doi: 10.1021/acschembio.8b00807. Epub 2019 Jan 31. PMID: 30620551; PMCID: PMC6709583.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30620551/,,,,,,1096509,No,No,,,,
DBoRL2625,Compound 16,"5-amino-1-cyclopentyl-4-(6-methyl-1H-1,3-benzodiazol-2-yl)-2,3-dihydro-1H-pyrrol-3-one",O=C1CN(C2CCCC2)C(N)=C1C3=NC4=CC=C(C)C=C4N3,"InChI=1S/C17H20N4O/c1-10-6-7-12-13(8-10)20-17(19-12)15-14(22)9-21(16(15)18)11-4-2-3-5-11/h6-8,11H,2-5,9,18H2,1H3,(H,19,20)",LQIMDVJROLNEBS-UHFFFAOYSA-N,C17H20N4O,Not Found,296.374,2.992851565,2,4,2,4,Metastasis-Associated Lung Adenocarcinoma Transcript 1 (MALAT1) Triple Helix-Forming Sequence,Will be updated soon.,30620551,,,,,,"Abulwerdi FA, Xu W, Ageeli AA, Yonkunas MJ, Arun G, Nam H, Schneekloth JS Jr, Dayie TK, Spector D, Baird N, Le Grice SFJ. Selective Small-Molecule Targeting of a Triple Helix Encoded by the Long Noncoding RNA, MALAT1. ACS Chem Biol. 2019 Feb 15;14(2):223-235. doi: 10.1021/acschembio.8b00807. Epub 2019 Jan 31. PMID: 30620551; PMCID: PMC6709583.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30620551/,,,,,,Not Found,No,No,,,,
DBoRL2626,1a,dimethyl[2-({7-oxo-7H-benzo[c]fluoren-5-yl}oxy)ethyl]azanium,C[NH+](C)CCOC(C1=C2C=CC=C1)=CC3=C2C4=CC=CC=C4C3=O,"InChI=1S/C21H19NO2/c1-22(2)11-12-24-19-13-18-20(15-8-4-3-7-14(15)19)16-9-5-6-10-17(16)21(18)23/h3-10,13H,11-12H2,1-2H3/p+1",IALAUUKEGMAATC-UHFFFAOYSA-O,C21H20NO2,Not Found,318.395,3.957028413,1,2,4,4,HIV-1 Rev Response Element (RRE) IIB,Will be updated soon.,30071201,,,,,,"Prado S, Beltr?n M, Moreno ?, Bedoya LM, Alcam? J, Gallego J. A small-molecule inhibitor of HIV-1 Rev function detected by a diversity screen based on RRE-Rev interference. Biochem Pharmacol. 2018 Oct;156:68-77. doi: 10.1016/j.bcp.2018.07.040. Epub 2018 Jul 31. PMID: 30071201.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30071201/,,,,,,Not Found,No,No,,,,
DBoRL2627,1b,"[3-(3,6-dibromo-9H-carbazol-9-yl)-2-hydroxypropyl][(oxolan-2-yl)methyl]azanium",BrC(C=C1)=CC2=C1N(CC(O)C[NH2+]CC3CCCO3)C4=C2C=C(Br)C=C4,"InChI=1/C20H22Br2N2O2/c21-13-3-5-19-17(8-13)18-9-14(22)4-6-20(18)24(19)12-15(25)10-23-11-16-2-1-7-26-16/h3-6,8-9,15-16,23,25H,1-2,7,10-12H2/p+1",LAQAENADPYABIU-UHFFFAOYNA-O,C20H23Br2N2O2,Not Found,483.223,4.275917677,2,2,6,4,HIV-1 Rev Response Element (RRE) IIB,Will be updated soon.,30071201,,,,,,"Prado S, Beltr?n M, Moreno ?, Bedoya LM, Alcam? J, Gallego J. A small-molecule inhibitor of HIV-1 Rev function detected by a diversity screen based on RRE-Rev interference. Biochem Pharmacol. 2018 Oct;156:68-77. doi: 10.1016/j.bcp.2018.07.040. Epub 2018 Jul 31. PMID: 30071201.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30071201/,,,,,,4747806,No,No,,,,
DBoRL2628,2a,"4-{4-[(4-chlorophenyl)sulfanyl]-3,5,6-trifluoropyridin-2-yl}piperazin-1-ium",ClC(C=C1)=CC=C1SC2=C(F)C(N3CC[NH2+]CC3)=NC(F)=C2F,"InChI=1S/C15H13ClF3N3S/c16-9-1-3-10(4-2-9)23-13-11(17)14(19)21-15(12(13)18)22-7-5-20-6-8-22/h1-4,20H,5-8H2/p+1",ZZITYBWBAALKMX-UHFFFAOYSA-O,C15H14ClF3N3S,Not Found,360.8,4.536977038,1,2,3,3,HIV-1 Rev Response Element (RRE) IIB,Will be updated soon.,30071201,,,,,,"Prado S, Beltr?n M, Moreno ?, Bedoya LM, Alcam? J, Gallego J. A small-molecule inhibitor of HIV-1 Rev function detected by a diversity screen based on RRE-Rev interference. Biochem Pharmacol. 2018 Oct;156:68-77. doi: 10.1016/j.bcp.2018.07.040. Epub 2018 Jul 31. PMID: 30071201.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30071201/,,,,,,7290262,No,No,,,,
DBoRL2629,Compound 2,"2-[2-(diethylamino)ethyl]-9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium",OC1=CC2=C(NC3=C2C(C)=C4C(C=C[N+](CCN(CC)CC)=C4)=C3C)C=C1,"InChI=1S/C23H27N3O/c1-5-25(6-2)11-12-26-10-9-18-16(4)23-22(15(3)20(18)14-26)19-13-17(27)7-8-21(19)24-23/h7-10,13-14,27H,5-6,11-12H2,1-4H3/p+1",NGOHTJBYABHJKF-UHFFFAOYSA-O,C23H28N3O,81531-57-9,362.496,0.374859548,2,2,5,4,C9ORF72 r(GGGGCC) Repeats,Will be updated soon.,30503283,,,,,,"Wang ZF, Ursu A, Childs-Disney JL, Guertler R, Yang WY, Bernat V, Rzuczek SG, Fuerst R, Zhang YJ, Gendron TF, Yildirim I, Dwyer BG, Rice JE, Petrucelli L, Disney MD. The Hairpin Form of r(G4C2)exp?in c9ALS/FTD Is Repeat-Associated Non-ATG Translated and a Target for Bioactive Small Molecules. Cell Chem Biol. 2019 Feb 21;26(2):179-190.e12. doi: 10.1016/j.chembiol.2018.10.018. Epub 2018 Nov 29. PMID: 30503283; PMCID: PMC6386614.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30503283/,,,,,,72035,No,No,,,,
DBoRL2630,Compound 3,"9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium",OC1=CC2=C(NC3=C2C(C)=C4C(C=C[N+](C)=C4)=C3C)C=C1,"InChI=1S/C18H16N2O/c1-10-15-9-20(3)7-6-13(15)11(2)18-17(10)14-8-12(21)4-5-16(14)19-18/h4-9,21H,1-3H3/p+1",YZQRAQOSAPWELU-UHFFFAOYSA-O,C18H17N2O,58337-34-1,277.346,-0.357400884,2,1,0,4,C9ORF72 r(GGGGCC) Repeats,Will be updated soon.,30503283,,,,,,"Wang ZF, Ursu A, Childs-Disney JL, Guertler R, Yang WY, Bernat V, Rzuczek SG, Fuerst R, Zhang YJ, Gendron TF, Yildirim I, Dwyer BG, Rice JE, Petrucelli L, Disney MD. The Hairpin Form of r(G4C2)exp?in c9ALS/FTD Is Repeat-Associated Non-ATG Translated and a Target for Bioactive Small Molecules. Cell Chem Biol. 2019 Feb 21;26(2):179-190.e12. doi: 10.1016/j.chembiol.2018.10.018. Epub 2018 Nov 29. PMID: 30503283; PMCID: PMC6386614.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30503283/,,,,,,42723,No,No,,,,
DBoRL2631,Compound 4,"9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole",CC1=C2C(C=CN=C2)=C(C)C3=C1C4=C(N3)C=CC(OC)=C4,"InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3",BKRMCDAOAQWNTG-UHFFFAOYSA-N,C18H16N2O,10371-86-5,276.339,3.731861532,1,2,1,4,C9ORF72 r(GGGGCC) Repeats,Will be updated soon.,30503283,,,,,,"Wang ZF, Ursu A, Childs-Disney JL, Guertler R, Yang WY, Bernat V, Rzuczek SG, Fuerst R, Zhang YJ, Gendron TF, Yildirim I, Dwyer BG, Rice JE, Petrucelli L, Disney MD. The Hairpin Form of r(G4C2)exp?in c9ALS/FTD Is Repeat-Associated Non-ATG Translated and a Target for Bioactive Small Molecules. Cell Chem Biol. 2019 Feb 21;26(2):179-190.e12. doi: 10.1016/j.chembiol.2018.10.018. Epub 2018 Nov 29. PMID: 30503283; PMCID: PMC6386614.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30503283/,,,,,,72512,No,No,,,,
DBoRL2632,Compound 18 (intronistat A),"1-{4-[2-(3,4,5-trihydroxybenzoyl)-1-benzofuran-5-yl]phenyl}ethan-1-one",O=C(C1=CC2=C(C=CC(C3=CC=C(C(C)=O)C=C3)=C2)O1)C4=CC(O)=C(O)C(O)=C4,"InChI=1S/C23H16O6/c1-12(24)13-2-4-14(5-3-13)15-6-7-20-16(8-15)11-21(29-20)22(27)17-9-18(25)23(28)19(26)10-17/h2-11,25-26,28H,1H3",VSKIDFZJTYXSTJ-UHFFFAOYSA-N,C23H16O6,Not Found,388.375,3.805900293,3,5,4,4,ai5? Group II Intron,Will be updated soon.,30323219,,,,,,"Fedorova O, Jagdmann GE Jr, Adams RL, Yuan L, Van Zandt MC, Pyle AM. Small molecules that target group II introns are potent antifungal agents. Nat Chem Biol. 2018 Dec;14(12):1073-1078. doi: 10.1038/s41589-018-0142-0. Epub 2018 Oct 15. PMID: 30323219; PMCID: PMC6239893.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30323219/,,,,,,134715334,No,No,,,,
DBoRL2633,Compound 19 (intronistat B),"N-[2-(pyrrolidin-1-yl)ethyl]-2-(3,4,5-trihydroxybenzoyl)-1-benzofuran-5-carboxamide",O=C(NCCN1CCCC1)C2=CC3=C(C=C2)OC(C(C4=CC(O)=C(O)C(O)=C4)=O)=C3,"InChI=1S/C22H22N2O6/c25-16-10-15(11-17(26)21(16)28)20(27)19-12-14-9-13(3-4-18(14)30-19)22(29)23-5-8-24-6-1-2-7-24/h3-4,9-12,25-26,28H,1-2,5-8H2,(H,23,29)",FQUBMOYVKLVEKR-UHFFFAOYSA-N,C22H22N2O6,Not Found,410.426,1.039985492,4,6,6,4,ai5? Group II Intron,Will be updated soon.,30323219,,,,,,"Fedorova O, Jagdmann GE Jr, Adams RL, Yuan L, Van Zandt MC, Pyle AM. Small molecules that target group II introns are potent antifungal agents. Nat Chem Biol. 2018 Dec;14(12):1073-1078. doi: 10.1038/s41589-018-0142-0. Epub 2018 Oct 15. PMID: 30323219; PMCID: PMC6239893.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30323219/,,,,,,134715333,No,No,,,,
DBoRL2634,Piperine,"(2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one",O=C(N1CCCCC1)/C=C/C=C/C2=CC=C(OCO3)C3=C2,"InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+",MXXWOMGUGJBKIW-YPCIICBESA-N,C17H19NO3,"94-62-2,7780-20-3,147030-08-8",285.343,2.77731105,0,3,3,3,Fragile X-Associated Tremor/Ataxia Syndrome r(CGG) Repeats,Will be updated soon.,31264835,,,,,,"Verma AK, Khan E, Mishra SK, Jain N, Kumar A. Piperine Modulates Protein Mediated Toxicity in Fragile X-Associated Tremor/Ataxia Syndrome through Interacting Expanded CGG Repeat (r(CGG)exp) RNA. ACS Chem Neurosci. 2019 Aug 21;10(8):3778-3788. doi: 10.1021/acschemneuro.9b00282. Epub 2019 Jul 2. PMID: 31264835.",,,,,,https://pubmed.ncbi.nlm.nih.gov/31264835/,,,,,,638024,Yes,No,Investigational,DB12582,https://go.drugbank.com/drugs/DB12582,
DBoRL2635,Compound 3,"3-amino-2-(4-methoxybenzoyl)-4-phenyl-5H-chromeno[4,3-b]pyridin-5-one",O=C1OC2=CC=CC=C2C3=C1C(C4=CC=CC=C4)=C(N)C(C(C5=CC=C(OC)C=C5)=O)=N3,"InChI=1S/C26H18N2O4/c1-31-17-13-11-16(12-14-17)25(29)24-22(27)20(15-7-3-2-4-8-15)21-23(28-24)18-9-5-6-10-19(18)32-26(21)30/h2-14H,27H2,1H3",UHURYCZIGJYZPP-UHFFFAOYSA-N,C26H18N2O4,Not Found,422.44,5.432670179,1,5,4,5,Huntington's Disease and Spinocerebellar Ataxia r(CAG) Repeats,Will be updated soon.,31075282,,,,,,"Khan E, Biswas S, Mishra SK, Mishra R, Samanta S, Mishra A, Tawani A, Kumar A. Rationally designed small molecules targeting toxic CAG repeat RNA that causes Huntington's disease (HD) and spinocerebellar ataxia (SCAs). Biochimie. 2019 Aug;163:21-32. doi: 10.1016/j.biochi.2019.05.001. Epub 2019 May 8. PMID: 31075282.",,,,,,https://pubmed.ncbi.nlm.nih.gov/31075282/,,,,,,Not Found,No,No,,,,
DBoRL2636,Compound 15,"3-amino-9-bromo-2-(4-methoxybenzoyl)-4-phenyl-5H-chromeno[4,3-b]pyridin-5-one",O=C1OC2=CC=C(Br)C=C2C3=C1C(C4=CC=CC=C4)=C(N)C(C(C5=CC=C(OC)C=C5)=O)=N3,"InChI=1S/C26H17BrN2O4/c1-32-17-10-7-15(8-11-17)25(30)24-22(28)20(14-5-3-2-4-6-14)21-23(29-24)18-13-16(27)9-12-19(18)33-26(21)31/h2-13H,28H2,1H3",JHBXZZFQGWIPRD-UHFFFAOYSA-N,C26H17BrN2O4,Not Found,501.336,6.201422804,1,5,4,5,Huntington's Disease and Spinocerebellar Ataxia r(CAG) Repeats,Will be updated soon.,31075282,,,,,,"Khan E, Biswas S, Mishra SK, Mishra R, Samanta S, Mishra A, Tawani A, Kumar A. Rationally designed small molecules targeting toxic CAG repeat RNA that causes Huntington's disease (HD) and spinocerebellar ataxia (SCAs). Biochimie. 2019 Aug;163:21-32. doi: 10.1016/j.biochi.2019.05.001. Epub 2019 May 8. PMID: 31075282.",,,,,,https://pubmed.ncbi.nlm.nih.gov/31075282/,,,,,,Not Found,No,No,,,,
DBoRL2637,PyDH2,1-methyl-4-[(E)-{[(6-{N'-[(E)-(1-methylquinolin-1-ium-4-yl)methylidene]hydrazinecarbonyl}pyridin-2-yl)formamido]imino}methyl]quinolin-1-ium,O=C(N/N=C/C1=CC=[N+](C)C2=C1C=CC=C2)C3=CC=CC(C(N/N=C/C4=C(C=CC=C5)C5=[N+](C)C=C4)=O)=N3,"InChI=1S/C29H23N7O2/c1-35-16-14-20(22-8-3-5-12-26(22)35)18-30-33-28(37)24-10-7-11-25(32-24)29(38)34-31-19-21-15-17-36(2)27-13-6-4-9-23(21)27/h3-19H,1-2H3/p+2",CVURQMOLKNHXLB-UHFFFAOYSA-P,C29H25N7O2,Not Found,503.565,-4.777273917,2,5,6,5,Epstein-Barr Virus (EBV) EBNA1 mRNA G-Quadruplex Forming Sequence,Will be updated soon.,31173968,,,,,,"Reznichenko O, Quill?v?r? A, Martins RP, Loa?c N, Kang H, Lista MJ, Beauvineau C, Gonz?lez-Garc?a J, Guillot R, Voisset C, Daskalogianni C, F?hraeus R, Teulade-Fichou MP, Blondel M, Granzhan A. Novel cationic bis(acylhydrazones) as modulators of Epstein-Barr virus immune evasion acting through disruption of interaction between nucleolin and G-quadruplexes of EBNA1 mRNA. Eur J Med Chem. 2019 Sep 15;178:13-29. doi: 10.1016/j.ejmech.2019.05.042. Epub 2019 May 23. PMID: 31173968.",,,,,,https://pubmed.ncbi.nlm.nih.gov/31173968/,,,,,,155527898,No,No,,,,
DBoRL2638,PhenDH2,"1-methyl-4-[(E)-{[(9-{N'-[(E)-(1-methylquinolin-1-ium-4-yl)methylidene]hydrazinecarbonyl}-1,10-phenanthrolin-2-yl)formamido]imino}methyl]quinolin-1-ium",O=C(C1=NC2=C(N=C(C(N/N=C/C3=C(C=CC=C4)C4=[N+](C)C=C3)=O)C=C5)C5=CC=C2C=C1)N/N=C/C6=CC=[N+](C)C7=C6C=CC=C7,"InChI=1S/C36H26N8O2/c1-43-19-17-25(27-7-3-5-9-31(27)43)21-37-41-35(45)29-15-13-23-11-12-24-14-16-30(40-34(24)33(23)39-29)36(46)42-38-22-26-18-20-44(2)32-10-6-4-8-28(26)32/h3-22H,1-2H3/p+2",RPKLJUMNTINJBR-UHFFFAOYSA-P,C36H28N8O2,Not Found,604.673,-3.24429218,2,6,6,7,Epstein-Barr Virus (EBV) EBNA1 mRNA G-Quadruplex Forming Sequence,Will be updated soon.,31173968,,,,,,"Reznichenko O, Quill?v?r? A, Martins RP, Loa?c N, Kang H, Lista MJ, Beauvineau C, Gonz?lez-Garc?a J, Guillot R, Voisset C, Daskalogianni C, F?hraeus R, Teulade-Fichou MP, Blondel M, Granzhan A. Novel cationic bis(acylhydrazones) as modulators of Epstein-Barr virus immune evasion acting through disruption of interaction between nucleolin and G-quadruplexes of EBNA1 mRNA. Eur J Med Chem. 2019 Sep 15;178:13-29. doi: 10.1016/j.ejmech.2019.05.042. Epub 2019 May 23. PMID: 31173968.",,,,,,https://pubmed.ncbi.nlm.nih.gov/31173968/,,,,,,155515042,No,No,,,,
DBoRL2639,Pseudopalmatine,"2,3,10,11-tetramethoxy-7,8-dihydro-6??-azatetraphen-6-ylium",COC1=C(OC)C=C(C=C(C(C=C(OC)C(OC)=C2)=C2CC3)[N+]3=C4)C4=C1,"InChI=1S/C21H22NO4/c1-23-18-8-13-5-6-22-12-15-10-20(25-3)19(24-2)9-14(15)7-17(22)16(13)11-21(18)26-4/h7-12H,5-6H2,1-4H3/q+1",CLFBXKHKECKSQM-UHFFFAOYSA-N,C21H22NO4,19716-66-6,352.409,-1.221888285,0,4,4,4,miR-1587 G-Quadruplex,Will be updated soon.,30290263,,,,,,"Li F, Tan W, Chen H, Zhou J, Xu M, Yuan G. Up- and downregulation of mature miR-1587 function by modulating its G-quadruplex structure and using small molecules. Int J Biol Macromol. 2019 Jan;121:127-134. doi: 10.1016/j.ijbiomac.2018.10.017. Epub 2018 Oct 3. PMID: 30290263.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30290263/,,,,,,644002,No,No,,,,
DBoRL2640,4a-10,"5-[(1E)-2-[4-(methylsulfanyl)phenyl]ethenyl]-N-[2-(pyrrolidin-1-yl)ethyl]-17-oxa-9-azatetracyclo[8.7.0.0?,?.0??,??]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-2-amine",CSC(C=C1)=CC=C1/C=C/C2=CC=C(N=C(C(C=CC=C3)=C3O4)C4=C5NCCN6CCCC6)C5=C2,"InChI=1S/C30H29N3OS/c1-35-23-13-10-21(11-14-23)8-9-22-12-15-26-25(20-22)28(31-16-19-33-17-4-5-18-33)30-29(32-26)24-6-2-3-7-27(24)34-30/h2-3,6-15,20H,4-5,16-19H2,1H3,(H,31,32)/b9-8+",BTSHZGDBEOLLFK-CMDGGOBGSA-N,C30H29N3OS,Not Found,479.64,6.560030368,1,3,7,6,NRAS G-Quadruplex Forming Sequence,Will be updated soon.,29799749,,,,,,"Peng W, Sun ZY, Zhang Q, Cheng SQ, Wang SK, Wang XN, Kuang GT, Su XX, Tan JH, Huang ZS, Ou TM. Design, Synthesis, and Evaluation of Novel p-(Methylthio)styryl Substituted Quindoline Derivatives as Neuroblastoma RAS (NRAS) Repressors via Specific Stabilizing the RNA G-Quadruplex. J Med Chem. 2018 Aug 9;61(15):6629-6646. doi: 10.1021/acs.jmedchem.8b00257. Epub 2018 Jul 23. PMID: 29799749.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29799749/,,,,,,145964404,No,No,,,,
DBoRL2641,4a-16,"N-[2-(4-methylpiperazin-1-yl)ethyl]-5-[(1E)-2-[4-(methylsulfanyl)phenyl]ethenyl]-17-oxa-9-azatetracyclo[8.7.0.0?,?.0??,??]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-2-amine",CSC(C=C1)=CC=C1/C=C/C2=CC=C(N=C(C(C=CC=C3)=C3O4)C4=C5NCCN6CCN(C)CC6)C5=C2,"InChI=1S/C31H32N4OS/c1-34-17-19-35(20-18-34)16-15-32-29-26-21-23(8-7-22-9-12-24(37-2)13-10-22)11-14-27(26)33-30-25-5-3-4-6-28(25)36-31(29)30/h3-14,21H,15-20H2,1-2H3,(H,32,33)/b8-7+",YIZZDLVEHMISST-BQYQJAHWSA-N,C31H32N4OS,Not Found,508.68,6.00135248,1,4,7,6,NRAS G-Quadruplex Forming Sequence,Will be updated soon.,29799749,,,,,,"Peng W, Sun ZY, Zhang Q, Cheng SQ, Wang SK, Wang XN, Kuang GT, Su XX, Tan JH, Huang ZS, Ou TM. Design, Synthesis, and Evaluation of Novel p-(Methylthio)styryl Substituted Quindoline Derivatives as Neuroblastoma RAS (NRAS) Repressors via Specific Stabilizing the RNA G-Quadruplex. J Med Chem. 2018 Aug 9;61(15):6629-6646. doi: 10.1021/acs.jmedchem.8b00257. Epub 2018 Jul 23. PMID: 29799749.",,,,,,https://pubmed.ncbi.nlm.nih.gov/29799749/,,,,,,145963913,No,No,,,,
DBoRL2642,ThT-NE,"2-[4-(diethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium",CCN(CC)C(C=C1)=CC=C1C2=[N+](C)C3=CC=C(C)C=C3S2,"InChI=1S/C19H23N2S/c1-5-21(6-2)16-10-8-15(9-11-16)19-20(4)17-12-7-14(3)13-18(17)22-19/h7-13H,5-6H2,1-4H3/q+1",WPIXUKQQLRQGGY-UHFFFAOYSA-N,C19H23N2S,1251822-40-8,311.47,1.084642108,0,1,4,3,Hepatitis C Virus G-Quadruplex Forming Core Gene,Will be updated soon.,30860368,,,,,,"Luo X, Xue B, Feng G, Zhang J, Lin B, Zeng P, Li H, Yi H, Zhang XL, Zhu H, Nie Z. Lighting up the Native Viral RNA Genome with a Fluorogenic Probe for the Live-Cell Visualization of Virus Infection. J Am Chem Soc. 2019 Apr 3;141(13):5182-5191. doi: 10.1021/jacs.8b10265. Epub 2019 Mar 21. PMID: 30860368.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30860368/,,,,,,66586668,No,No,,,,
DBoRL2643,Targaprimir-515/885,"N-(3-azidopropyl)-4-(2,6-di-tert-butyl-4-{5-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamide",CN1CCN(CC1)C2=CC3=C(C=C2)N=C(C4=CC5=C(C=C4)NC(C6=CC(C(C)(C)C)=C(C(C(C)(C)C)=C6)OCCCC(NCCCN=[N+]=[N-])=O)=N5)N3,"InChI=1S/C40H52N10O2/c1-39(2,3)29-22-27(23-30(40(4,5)6)36(29)52-21-8-10-35(51)42-15-9-16-43-48-41)38-45-31-13-11-26(24-33(31)46-38)37-44-32-14-12-28(25-34(32)47-37)50-19-17-49(7)18-20-50/h11-14,22-25H,8-10,15-21H2,1-7H3,(H,42,51)(H,44,47)(H,45,46)",DBAVEZIQOUWRMX-UHFFFAOYSA-N,C40H52N10O2,Not Found,704.924,7.093500254,3,8,14,6,pri-miR-515 in HER2- Breast Cancers,Will be updated soon.,30726072,,,,,,"Costales MG, Hoch DG, Abegg D, Childs-Disney JL, Velagapudi SP, Adibekian A, Disney MD. A Designed Small Molecule Inhibitor of a Non-Coding RNA Sensitizes HER2 Negative Cancers to Herceptin. J Am Chem Soc. 2019 Feb 20;141(7):2960-2974. doi: 10.1021/jacs.8b10558. Epub 2019 Feb 6. PMID: 30726072; PMCID: PMC6400281.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30726072/,,,,,,72699193,No,No,,,,
DBoRL2644,Targaprimir-515/885,"N-(3-azidopropyl)-4-(2,6-di-tert-butyl-4-{5-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-1,3-benzodiazol-2-yl}phenoxy)butanamide",CN1CCN(CC1)C2=CC3=C(C=C2)N=C(C4=CC5=C(C=C4)NC(C6=CC(C(C)(C)C)=C(C(C(C)(C)C)=C6)OCCCC(NCCCN=[N+]=[N-])=O)=N5)N3,"InChI=1S/C40H52N10O2/c1-39(2,3)29-22-27(23-30(40(4,5)6)36(29)52-21-8-10-35(51)42-15-9-16-43-48-41)38-45-31-13-11-26(24-33(31)46-38)37-44-32-14-12-28(25-34(32)47-37)50-19-17-49(7)18-20-50/h11-14,22-25H,8-10,15-21H2,1-7H3,(H,42,51)(H,44,47)(H,45,46)",DBAVEZIQOUWRMX-UHFFFAOYSA-N,C40H52N10O2,Not Found,704.924,7.093500254,3,8,14,6,pri-miR-885 in HER2- Breast Cancers,Will be updated soon.,30726072,,,,,,"Costales MG, Hoch DG, Abegg D, Childs-Disney JL, Velagapudi SP, Adibekian A, Disney MD. A Designed Small Molecule Inhibitor of a Non-Coding RNA Sensitizes HER2 Negative Cancers to Herceptin. J Am Chem Soc. 2019 Feb 20;141(7):2960-2974. doi: 10.1021/jacs.8b10558. Epub 2019 Feb 6. PMID: 30726072; PMCID: PMC6400281.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30726072/,,,,,,72699193,No,No,,,,
DBoRL2645,CP2,"(Z)-N-(4-chlorophenyl)-1-(1,2-dihydroquinolin-1-yl)-1-(methylsulfanyl)methanimine",CS/C(N1C2=CC=CC=C2C=CC1)=N\C3=CC=C(Cl)C=C3,"InChI=1S/C17H15ClN2S/c1-21-17(19-15-10-8-14(18)9-11-15)20-12-4-6-13-5-2-3-7-16(13)20/h2-11H,12H2,1H3/b19-17-",VAFBNSGITFIHRB-ZPHPHTNESA-N,C17H15ClN2S,Not Found,314.83,5.782755781,0,2,2,3,Huntington's Disease r(CAG) Repeats,Will be updated soon.,31728006,,,,,,"Khan E, Mishra SK, Mishra R, Mishra A, Kumar A. Discovery of a potent small molecule inhibiting Huntington's disease?(HD) pathogenesis via targeting CAG repeats RNA and Poly Q protein. Sci Rep. 2019 Nov 14;9(1):16872. doi: 10.1038/s41598-019-53410-z. PMID: 31728006; PMCID: PMC6856162.",,,,,,https://pubmed.ncbi.nlm.nih.gov/31728006/,,,,,,413796,No,No,,,,
DBoRL2646,CP6,4-(benzylsulfanyl)-6-fluorocinnoline,FC1=CC2=C(SCC3=CC=CC=C3)C=NN=C2C=C1,"InChI=1S/C15H11FN2S/c16-12-6-7-14-13(8-12)15(9-17-18-14)19-10-11-4-2-1-3-5-11/h1-9H,10H2",MVOOIFIABJDQGI-UHFFFAOYSA-N,C15H11FN2S,3259-43-6,270.33,3.542744747,0,2,3,3,Huntington's Disease r(CAG) Repeats,Will be updated soon.,31728006,,,,,,"Khan E, Mishra SK, Mishra R, Mishra A, Kumar A. Discovery of a potent small molecule inhibiting Huntington's disease?(HD) pathogenesis via targeting CAG repeats RNA and Poly Q protein. Sci Rep. 2019 Nov 14;9(1):16872. doi: 10.1038/s41598-019-53410-z. PMID: 31728006; PMCID: PMC6856162.",,,,,,https://pubmed.ncbi.nlm.nih.gov/31728006/,,,,,,248695,No,No,,,,
DBoRL2647,CP13,2-(2-fluorophenyl)-3-methylquinoline,CC1=CC2=C(C=CC=C2)N=C1C3=C(F)C=CC=C3,"InChI=1S/C16H12FN/c1-11-10-12-6-2-5-9-15(12)18-16(11)13-7-3-4-8-14(13)17/h2-10H,1H3",HECMNZNMEOFMGF-UHFFFAOYSA-N,C16H12FN,Not Found,237.277,4.820099485,0,1,1,3,Huntington's Disease r(CAG) Repeats,Will be updated soon.,31728006,,,,,,"Khan E, Mishra SK, Mishra R, Mishra A, Kumar A. Discovery of a potent small molecule inhibiting Huntington's disease?(HD) pathogenesis via targeting CAG repeats RNA and Poly Q protein. Sci Rep. 2019 Nov 14;9(1):16872. doi: 10.1038/s41598-019-53410-z. PMID: 31728006; PMCID: PMC6856162.",,,,,,https://pubmed.ncbi.nlm.nih.gov/31728006/,,,,,,269180,No,No,,,,
DBoRL2648,BIX01294,"N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine",COC1=CC2=C(C(NC3CCN(CC4=CC=CC=C4)CC3)=NC(N5CCN(C)CCC5)=N2)C=C1OC,"InChI=1S/C28H38N6O2/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-3)25(35-2)18-23(24)27(31-28)29-22-10-14-33(15-11-22)20-21-8-5-4-6-9-21/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31)",OSXFATOLZGZLSK-UHFFFAOYSA-N,C28H38N6O2,935693-62-2,490.652,3.622144107,1,8,7,5,Fragile X-Associated Tremor/Ataxia Syndrome r(CGG) Repeats,Will be updated soon.,31649034,,,,,,"Green KM, Sheth UJ, Flores BN, Wright SE, Sutter AB, Kearse MG, Barmada SJ, Ivanova MI, Todd PK. High-throughput screening yields several small-molecule inhibitors of repeat-associated non-AUG translation. J Biol Chem. 2019 Dec 6;294(49):18624-18638. doi: 10.1074/jbc.RA119.009951. Epub 2019 Oct 23. PMID: 31649034; PMCID: PMC6901296.",,,,,,https://pubmed.ncbi.nlm.nih.gov/31649034/,,,,,,25150857,No,No,,,,
DBoRL2649,ADQ,"7-nitro-2-(4-{7-nitro-3-oxo-2H,3H,4H,9H-furo[2,3-b]quinoxalin-2-yl}phenyl)-2H,3H,4H,9H-furo[2,3-b]quinoxalin-3-one",[O-][N+](C1=CC(NC(OC(C2=CC=C(C3C(C(NC(C=CC([N+]([O-])=O)=C4)=C4N5)=C5O3)=O)C=C2)C6=O)=C6N7)=C7C=C1)=O,"InChI=1/C26H16N6O8/c33-21-19-25(29-17-9-13(31(35)36)5-7-15(17)27-19)39-23(21)11-1-2-12(4-3-11)24-22(34)20-26(40-24)30-18-10-14(32(37)38)6-8-16(18)28-20/h1-10,23-24,27-30H",LFAVZZKNQFFBAI-UHFFFAOYNA-N,C26H16N6O8,Not Found,540.448,3.261778616,4,12,4,7,HOX antisense intergenic RNA (HOTAIR),Will be updated soon.,30764859,,,,,,"Ren Y, Wang YF, Zhang J, Wang QX, Han L, Mei M, Kang CS. Targeted design and identification of AC1NOD4Q to block activity of HOTAIR by abrogating the scaffold interaction with EZH2. Clin Epigenetics. 2019 Feb 14;11(1):29. doi: 10.1186/s13148-019-0624-2. PMID: 30764859; PMCID: PMC6376746.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30764859/,,,,,,5086250,No,No,,,,
DBoRL2650,Compound 9,"6-amino-7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-oxo-1-[(pyridin-2-yl)methyl]-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid",NC1=C(N=C(N(CC2=CC=CC=N2)C=C(C(O)=O)C3=O)C3=C1)N(CC4)CCN4C5=NC6=C(S5)C=CC=C6,"InChI=1S/C26H23N7O3S/c27-19-13-17-22(34)18(25(35)36)15-33(14-16-5-3-4-8-28-16)23(17)30-24(19)31-9-11-32(12-10-31)26-29-20-6-1-2-7-21(20)37-26/h1-8,13,15H,9-12,14,27H2,(H,35,36)",IXYPVIOVHQAHKC-UHFFFAOYSA-N,C26H23N7O3S,Not Found,513.58,3.161829178,2,10,5,6,HIV-1 Trans-Activation Response Element (TAR),Will be updated soon.,10.2174/1874104501913010016,,,,,,"Cecchetti V, Clementi S, Cruciani G, Fravolini A, Pagella PG, Savino A, Tabarrini O. 6-Aminoquinolones: a new class of quinolone antibacterials?. Journal of medicinal chemistry. 1995 Mar;38(6):973-82.",,,,,,http://dx.doi.org/10.2174/1874104501913010016,,,,,,Not Found,No,No,,,,
DBoRL2651,Compound 10,"6-amino-7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-oxo-1-[2-(pyridin-2-yl)ethyl]-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid",NC1=C(N=C(N(CCC2=CC=CC=N2)C=C(C(O)=O)C3=O)C3=C1)N(CC4)CCN4C5=NC6=C(S5)C=CC=C6,"InChI=1S/C27H25N7O3S/c28-20-15-18-23(35)19(26(36)37)16-34(10-8-17-5-3-4-9-29-17)24(18)31-25(20)32-11-13-33(14-12-32)27-30-21-6-1-2-7-22(21)38-27/h1-7,9,15-16H,8,10-14,28H2,(H,36,37)",WFJXWADLZAAOGT-UHFFFAOYSA-N,C27H25N7O3S,Not Found,527.6,3.296135863,2,10,6,6,HIV-1 Trans-Activation Response Element (TAR),Will be updated soon.,10.2174/1874104501913010016,,,,,,"Cecchetti V, Clementi S, Cruciani G, Fravolini A, Pagella PG, Savino A, Tabarrini O. 6-Aminoquinolones: a new class of quinolone antibacterials?. Journal of medicinal chemistry. 1995 Mar;38(6):973-82.",,,,,,http://dx.doi.org/10.2174/1874104501913010016,,,,,,Not Found,No,No,,,,
DBoRL2652,Compound 11,"6-amino-7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-oxo-1-{2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid",NC1=C(N=C(N(CCN2CCN(C3=CC=CC=N3)CC2)C=C(C(O)=O)C4=O)C4=C1)N(CC5)CCN5C6=NC7=C(S6)C=CC=C7,"InChI=1S/C31H33N9O3S/c32-23-19-21-27(41)22(30(42)43)20-40(14-11-36-9-12-37(13-10-36)26-7-3-4-8-33-26)28(21)35-29(23)38-15-17-39(18-16-38)31-34-24-5-1-2-6-25(24)44-31/h1-8,19-20H,9-18,32H2,(H,42,43)",JZTKOBMLQIHNQQ-UHFFFAOYSA-N,C31H33N9O3S,Not Found,611.73,2.437854135,2,12,7,7,HIV-1 Trans-Activation Response Element (TAR),Will be updated soon.,10.2174/1874104501913010016,,,,,,"Cecchetti V, Clementi S, Cruciani G, Fravolini A, Pagella PG, Savino A, Tabarrini O. 6-Aminoquinolones: a new class of quinolone antibacterials?. Journal of medicinal chemistry. 1995 Mar;38(6):973-82.",,,,,,http://dx.doi.org/10.2174/1874104501913010016,,,,,,Not Found,No,No,,,,
DBoRL2653,Compound 12,"6-amino-7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-oxo-1-{3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid",NC1=C(N=C(N(CCCN2CCN(C3=CC=CC=N3)CC2)C=C(C(O)=O)C4=O)C4=C1)N(CC5)CCN5C6=NC7=C(S6)C=CC=C7,"InChI=1S/C32H35N9O3S/c33-24-20-22-28(42)23(31(43)44)21-41(11-5-10-37-12-14-38(15-13-37)27-8-3-4-9-34-27)29(22)36-30(24)39-16-18-40(19-17-39)32-35-25-6-1-2-7-26(25)45-32/h1-4,6-9,20-21H,5,10-19,33H2,(H,43,44)",DOLZPRTZEOBUQH-UHFFFAOYSA-N,C32H35N9O3S,Not Found,625.75,2.459570203,2,12,8,7,HIV-1 Trans-Activation Response Element (TAR),Will be updated soon.,10.2174/1874104501913010016,,,,,,"Cecchetti V, Clementi S, Cruciani G, Fravolini A, Pagella PG, Savino A, Tabarrini O. 6-Aminoquinolones: a new class of quinolone antibacterials?. Journal of medicinal chemistry. 1995 Mar;38(6):973-82.",,,,,,http://dx.doi.org/10.2174/1874104501913010016,,,,,,Not Found,No,No,,,,
DBoRL2654,Compound 4d,(2E)-3-[4-(dimethylamino)phenyl]-N-(4-{[(3-{[3-(4-methylpiperazin-1-yl)propyl]amino}-6-nitroquinoxalin-2-yl)amino]methyl}phenyl)prop-2-enamide,CN(CC1)CCN1CCCNC2=NC3=CC([N+]([O-])=O)=CC=C3N=C2NCC4=CC=C(NC(/C=C/C5=CC=C(N(C)C)C=C5)=O)C=C4,"InChI=1S/C34H41N9O3/c1-40(2)28-12-7-25(8-13-28)9-16-32(44)37-27-10-5-26(6-11-27)24-36-34-33(35-17-4-18-42-21-19-41(3)20-22-42)39-31-23-29(43(45)46)14-15-30(31)38-34/h5-16,23H,4,17-22,24H2,1-3H3,(H,35,39)(H,36,38)(H,37,44)/b16-9+",COWDWOKGYBJBOK-CXUHLZMHSA-N,C34H41N9O3,Not Found,623.762,4.728917032,3,10,13,5,Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA,Will be updated soon.,31690898,,,,,,"Chakraborty J , Kanungo A , Mahata T , Kumar K , Sharma G , Pal R , Ahammed KS , Patra D , Majhi B , Chakrabarti S , Das S , Dutta S . Quinoxaline derivatives disrupt the base stacking of hepatitis C virus-internal ribosome entry site RNA: reduce translation and replication. Chem Commun (Camb). 2019 Nov 19;55(93):14027-14030. doi: 10.1039/c9cc06531h. PMID: 31690898.",,,,,,https://pubmed.ncbi.nlm.nih.gov/31690898/,,,,,,Not Found,No,No,,,,
DBoRL2655,Compound 3b,"N3-[3-(dimethylamino)propyl]-N2-[3-(4-methylpiperazin-1-yl)propyl]-6-nitroquinoxaline-2,3-diamine",CN(C)CCCNC1=NC2=CC([N+]([O-])=O)=CC=C2N=C1NCCCN3CCN(C)CC3,"InChI=1S/C21H34N8O2/c1-26(2)10-4-8-22-21-20(23-9-5-11-28-14-12-27(3)13-15-28)24-18-7-6-17(29(30)31)16-19(18)25-21/h6-7,16H,4-5,8-15H2,1-3H3,(H,22,25)(H,23,24)",HZQWJCNUOJOBPG-UHFFFAOYSA-N,C21H34N8O2,Not Found,430.557,1.377861976,2,9,11,3,Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA,Will be updated soon.,31690898,,,,,,"Chakraborty J , Kanungo A , Mahata T , Kumar K , Sharma G , Pal R , Ahammed KS , Patra D , Majhi B , Chakrabarti S , Das S , Dutta S . Quinoxaline derivatives disrupt the base stacking of hepatitis C virus-internal ribosome entry site RNA: reduce translation and replication. Chem Commun (Camb). 2019 Nov 19;55(93):14027-14030. doi: 10.1039/c9cc06531h. PMID: 31690898.",,,,,,https://pubmed.ncbi.nlm.nih.gov/31690898/,,,,,,Not Found,No,No,,,,
DBoRL2656,Compound 4a,"N-(4-{[(3-{[3-(dimethylamino)propyl]amino}-6-nitroquinoxalin-2-yl)amino]methyl}phenyl)-5-[(4R)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide",CN(CCCNC1=NC2=CC([N+]([O-])=O)=CC=C2N=C1NCC3=CC=C(C=C3)NC(CCCC[C@@H]4C5NC(NC5CS4)=O)=O)C,"InChI=1S/C30H39N9O4S/c1-38(2)15-5-14-31-28-29(34-22-13-12-21(39(42)43)16-23(22)35-28)32-17-19-8-10-20(11-9-19)33-26(40)7-4-3-6-25-27-24(18-44-25)36-30(41)37-27/h8-13,16,24-25,27H,3-7,14-15,17-18H2,1-2H3,(H,31,35)(H,32,34)(H,33,40)(H2,36,37,41)/t24?,25-,27?/m1/s1",UPKZAAIHENUYKB-JEUPEJDTSA-N,C30H39N9O4S,Not Found,621.76,2.957090982,5,9,15,5,Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA,Will be updated soon.,31690898,,,,,,"Chakraborty J , Kanungo A , Mahata T , Kumar K , Sharma G , Pal R , Ahammed KS , Patra D , Majhi B , Chakrabarti S , Das S , Dutta S . Quinoxaline derivatives disrupt the base stacking of hepatitis C virus-internal ribosome entry site RNA: reduce translation and replication. Chem Commun (Camb). 2019 Nov 19;55(93):14027-14030. doi: 10.1039/c9cc06531h. PMID: 31690898.",,,,,,https://pubmed.ncbi.nlm.nih.gov/31690898/,,,,,,Not Found,No,No,,,,
DBoRL2657,Compound 4c,"N-(4-{[(3-{[3-(4-methylpiperazin-1-yl)propyl]amino}-6-nitroquinoxalin-2-yl)amino]methyl}phenyl)-5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanamide",CN(CC1)CCN1CCCNC2=NC3=CC([N+]([O-])=O)=CC=C3N=C2NCC4=CC=C(NC(CCCCC5SCC(N6)C5NC6=O)=O)C=C4,"InChI=1/C33H44N10O4S/c1-41-15-17-42(18-16-41)14-4-13-34-31-32(37-25-12-11-24(43(46)47)19-26(25)38-31)35-20-22-7-9-23(10-8-22)36-29(44)6-3-2-5-28-30-27(21-48-28)39-33(45)40-30/h7-12,19,27-28,30H,2-6,13-18,20-21H2,1H3,(H,34,38)(H,35,37)(H,36,44)(H2,39,40,45)",MHQOJLOJFLFQKY-UHFFFAOYNA-N,C33H44N10O4S,Not Found,676.84,2.804210561,5,10,15,6,Hepatitis C Virus (HCV) Internal Ribosome Entry Site (IRES) IIA,Will be updated soon.,31690898,,,,,,"Chakraborty J , Kanungo A , Mahata T , Kumar K , Sharma G , Pal R , Ahammed KS , Patra D , Majhi B , Chakrabarti S , Das S , Dutta S . Quinoxaline derivatives disrupt the base stacking of hepatitis C virus-internal ribosome entry site RNA: reduce translation and replication. Chem Commun (Camb). 2019 Nov 19;55(93):14027-14030. doi: 10.1039/c9cc06531h. PMID: 31690898.",,,,,,https://pubmed.ncbi.nlm.nih.gov/31690898/,,,,,,Not Found,No,No,,,,
DBoRL2658,bPGN,"(5'Z)-5'-{[(4S)-4-butyl-1H,4H,5H,6H,7H,8H,9H,10H-cyclonona[b]pyrrol-2-yl]methylidene}-4'-methoxy-1H,5'H-2,3'-bipyrrole",CCCC[C@@H]1C2=C(NC(/C=C3C(OC)=C(C4=CC=CN4)C=N/3)=C2)CCCCCC1,"InChI=1S/C25H33N3O/c1-3-4-10-18-11-7-5-6-8-12-23-20(18)15-19(28-23)16-24-25(29-2)21(17-27-24)22-13-9-14-26-22/h9,13-18,26,28H,3-8,10-12H2,1-2H3/b24-16-/t18-/m0/s1",NPHGIEGKSFIIAE-WSLHGYQHSA-N,C25H33N3O,Not Found,391.559,5.33907203,2,2,6,4,pre-miRNA-21,Will be updated soon.,31155509,,,,,,"Matarlo JS, Krumpe LRH, Heinz WF, Oh D, Shenoy SR, Thomas CL, Goncharova EI, Lockett SJ, O'Keefe BR. The Natural Product Butylcycloheptyl Prodiginine Binds Pre-miR-21, Inhibits Dicer-Mediated Processing of Pre-miR-21, and Blocks Cellular Proliferation. Cell Chem Biol. 2019 Aug 15;26(8):1133-1142.e4. doi: 10.1016/j.chembiol.2019.04.011. Epub 2019 May 30. PMID: 31155509; PMCID: PMC6697619.",,,,,,https://pubmed.ncbi.nlm.nih.gov/31155509/,,,,,,Not Found,No,No,,,,
DBoRL2659,Obatoclax,"2-[(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-2H-pyrrol-4-yl]-1H-indole",CC1=CC(C)=C(/C=C2C(OC)=C(C3=CC4=C(C=CC=C4)N3)C=N/2)N1,"InChI=1S/C20H19N3O/c1-12-8-13(2)22-17(12)10-19-20(24-3)15(11-21-19)18-9-14-6-4-5-7-16(14)23-18/h4-11,22-23H,1-3H3/b19-10-",OUDLCHBEBPHZAI-GRSHGNNSSA-N,C20H19N3O,Not Found,317.392,2.900153666,2,2,3,4,pre-miRNA-21,Will be updated soon.,31155509,,,,,,"Matarlo JS, Krumpe LRH, Heinz WF, Oh D, Shenoy SR, Thomas CL, Goncharova EI, Lockett SJ, O'Keefe BR. The Natural Product Butylcycloheptyl Prodiginine Binds Pre-miR-21, Inhibits Dicer-Mediated Processing of Pre-miR-21, and Blocks Cellular Proliferation. Cell Chem Biol. 2019 Aug 15;26(8):1133-1142.e4. doi: 10.1016/j.chembiol.2019.04.011. Epub 2019 May 30. PMID: 31155509; PMCID: PMC6697619.",,,,,,https://pubmed.ncbi.nlm.nih.gov/31155509/,,,,,,Not Found,Yes,No,Investigational,DB12191,https://go.drugbank.com/drugs/DB12191,
DBoRL2660,Prodigiosin,"(5'Z)-4'-methoxy-5'-[(5-methyl-4-pentyl-1H-pyrrol-2-yl)methylidene]-1H,5'H-2,3'-bipyrrole",CC1=C(CCCCC)C=C(/C=C2C(OC)=C(C3=CC=CN3)C=N/2)N1,"InChI=1S/C20H25N3O/c1-4-5-6-8-15-11-16(23-14(15)2)12-19-20(24-3)17(13-22-19)18-9-7-10-21-18/h7,9-13,21,23H,4-6,8H2,1-3H3/b19-12-",LQHNWYIXAHGWII-UNOMPAQXSA-N,C20H25N3O,Not Found,323.44,3.659550446,2,2,7,3,pre-miRNA-21,Will be updated soon.,31155509,,,,,,"Matarlo JS, Krumpe LRH, Heinz WF, Oh D, Shenoy SR, Thomas CL, Goncharova EI, Lockett SJ, O'Keefe BR. The Natural Product Butylcycloheptyl Prodiginine Binds Pre-miR-21, Inhibits Dicer-Mediated Processing of Pre-miR-21, and Blocks Cellular Proliferation. Cell Chem Biol. 2019 Aug 15;26(8):1133-1142.e4. doi: 10.1016/j.chembiol.2019.04.011. Epub 2019 May 30. PMID: 31155509; PMCID: PMC6697619.",,,,,,https://pubmed.ncbi.nlm.nih.gov/31155509/,,,,,,Not Found,No,No,,,,
DBoRL2661,BRX1555,"7,8-dimethyl-10-(3-phenylpropyl)-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione",O=C(C1=NC2=C(N(CCCC3=CC=CC=C3)C1=N4)C=C(C)C(C)=C2)NC4=O,"InChI=1S/C21H20N4O2/c1-13-11-16-17(12-14(13)2)25(10-6-9-15-7-4-3-5-8-15)19-18(22-16)20(26)24-21(27)23-19/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H,24,26,27)",LVUMBLZQGDFTPC-UHFFFAOYSA-N,C21H20N4O2,Not Found,360.417,4.122269565,1,5,4,4,Flavin Mononucleotide (FMN) Riboswitch,Will be updated soon.,30107111,,,,,,"Vicens Q, Mondrag?n E, Reyes FE, Coish P, Aristoff P, Berman J, Kaur H, Kells KW, Wickens P, Wilson J, Gadwood RC, Schostarez HJ, Suto RK, Blount KF, Batey RT. Structure-Activity Relationship of Flavin Analogues That Target the Flavin Mononucleotide Riboswitch. ACS Chem Biol. 2018 Oct 19;13(10):2908-2919. doi: 10.1021/acschembio.8b00533. Epub 2018 Sep 20. PMID: 30107111; PMCID: PMC6874366.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30107111/,,,,,,53492509,No,No,,,,
DBoRL2662,RG7800,"2-{4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl}-9-methyl-7-(1-methylpiperidin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one",CC1=CC(C2CCN(C)CC2)=CN3C1=NC(C4=NN(C=C(C)N=C5CC)C5=C4)=CC3=O,"InChI=1S/C24H28N6O/c1-5-19-22-11-21(27-30(22)13-16(3)25-19)20-12-23(31)29-14-18(10-15(2)24(29)26-20)17-6-8-28(4)9-7-17/h10-14,17H,5-9H2,1-4H3",GYFRQCMDLBNZSF-UHFFFAOYSA-N,C24H28N6O,1449598-06-4,416.529,2.110965298,0,5,3,5,Survival of Motor Neuron 2 (SMN2) pre-mRNA,Will be updated soon.,30044619,27299419,,,,,"1) Ratni H, Ebeling M, Baird J, Bendels S, Bylund J, Chen KS, Denk N, Feng Z, Green L, Guerard M, Jablonski P, Jacobsen B, Khwaja O, Kletzl H, Ko CP, Kustermann S, Marquet A, Metzger F, Mueller B, Naryshkin NA, Paushkin SV, Pinard E, Poirier A, Reutlinger M, Weetall M, Zeller A, Zhao X, Mueller L. Discovery of Risdiplam, a Selective Survival of Motor Neuron-2 ( SMN2) Gene Splicing Modifier for the Treatment of Spinal Muscular Atrophy (SMA). J Med Chem. 2018 Aug 9;61(15):6501-6517. doi: 10.1021/acs.jmedchem.8b00741. Epub 2018 Jul 25. PMID: 30044619.","2) Ratni H, Karp GM, Weetall M, Naryshkin NA, Paushkin SV, Chen KS, McCarthy KD, Qi H, Turpoff A, Woll MG, Zhang X, Zhang N, Yang T, Dakka A, Vazirani P, Zhao X, Pinard E, Green L, David-Pierson P, Tuerck D, Poirier A, Muster W, Kirchner S, Mueller L, Gerlach I, Metzger F. Specific Correction of Alternative Survival Motor Neuron 2 Splicing by Small Molecules: Discovery of a Potential Novel Medicine To Treat Spinal Muscular Atrophy. J Med Chem. 2016 Jul 14;59(13):6086-100. doi: 10.1021/acs.jmedchem.6b00459. Epub 2016 Jul 6. PMID: 27299419.",,,,,https://pubmed.ncbi.nlm.nih.gov/30044619/,https://pubmed.ncbi.nlm.nih.gov/27299419/,,,,,89741565,No,No,,,,
DBoRL2663,Compound 8,"N1,N3,N5-tris[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3,5-tricarboxamide",O=C(NC1=CC=C(C2=NCCN2)C=C1)C3=CC(C(NC4=CC=C(C5=NCCN5)C=C4)=O)=CC(C(NC6=CC=C(C7=NCCN7)C=C6)=O)=C3,"InChI=1S/C36H33N9O3/c46-34(43-28-7-1-22(2-8-28)31-37-13-14-38-31)25-19-26(35(47)44-29-9-3-23(4-10-29)32-39-15-16-40-32)21-27(20-25)36(48)45-30-11-5-24(6-12-30)33-41-17-18-42-33/h1-12,19-21H,13-18H2,(H,37,38)(H,39,40)(H,41,42)(H,43,46)(H,44,47)(H,45,48)",MFIIVKSUQLIWKT-UHFFFAOYSA-N,C36H33N9O3,Not Found,639.72,2.99958722,6,9,9,7,Hepatitus C Virus (HCV) SL I-III,Will be updated soon.,30719503,,,,,,"Childs-Disney JL, Tran T, Vummidi BR, Velagapudi SP, Haniff HS, Matsumoto Y, Crynen G, Southern MR, Biswas A, Wang ZF, Tellinghuisen TL, Disney MD. A Massively Parallel Selection of Small Molecule-RNA Motif Binding Partners Informs Design of an Antiviral from Sequence. Chem. 2018 Oct 11;4(10):2384-2404. doi: 10.1016/j.chempr.2018.08.003. Epub 2018 Sep 13. PMID: 30719503; PMCID: PMC6358276.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30719503/,,,,,,414307,No,No,,,,
DBoRL2664,Compound 10,"N4,N4'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-[1,1'-biphenyl]-4,4'-dicarboxamide",O=C(C1=CC=C(C2=CC=C(C(NC3=CC=CC(C4=NCCN4)=C3)=O)C=C2)C=C1)NC5=CC(C6=NCCN6)=CC=C5,"InChI=1S/C32H28N6O2/c39-31(37-27-5-1-3-25(19-27)29-33-15-16-34-29)23-11-7-21(8-12-23)22-9-13-24(14-10-22)32(40)38-28-6-2-4-26(20-28)30-35-17-18-36-30/h1-14,19-20H,15-18H2,(H,33,34)(H,35,36)(H,37,39)(H,38,40)",HOYOJUMMRGKESB-UHFFFAOYSA-N,C32H28N6O2,5352-53-4,528.616,4.304698781,4,6,7,6,Hepatitus C Virus (HCV) SL I-III,Will be updated soon.,30719503,,,,,,"Childs-Disney JL, Tran T, Vummidi BR, Velagapudi SP, Haniff HS, Matsumoto Y, Crynen G, Southern MR, Biswas A, Wang ZF, Tellinghuisen TL, Disney MD. A Massively Parallel Selection of Small Molecule-RNA Motif Binding Partners Informs Design of an Antiviral from Sequence. Chem. 2018 Oct 11;4(10):2384-2404. doi: 10.1016/j.chempr.2018.08.003. Epub 2018 Sep 13. PMID: 30719503; PMCID: PMC6358276.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30719503/,,,,,,413628,No,No,,,,
DBoRL2665,Linifanib,"3-(4-{1-[(4Z)-3-amino-4,5-dihydro-1H-pyrazol-4-ylidene]prop-2-en-1-yl}phenyl)-1-(2-fluoro-5-methylphenyl)urea",O=C(NC1=CC=C(C(/C=C)=C2CNN=C/2N)C=C1)NC3=C(C=CC(C)=C3)F,"InChI=1S/C20H20FN5O/c1-3-15(16-11-23-26-19(16)22)13-5-7-14(8-6-13)24-20(27)25-18-10-12(2)4-9-17(18)21/h3-10,23H,1,11H2,2H3,(H2,22,26)(H2,24,25,27)/b16-15-",FXXKMOGDPHHKFP-NXVVXOECSA-N,C20H20FN5O,Not Found,365.412,3.201036555,4,4,4,3,pre-miRNA-10b,Will be updated soon.,30166612,,,,,,"Monroig-Bosque PDC, Shah MY, Fu X, Fuentes-Mattei E, Ling H, Ivan C, Nouraee N, Huang B, Chen L, Pileczki V, Redis RS, Jung EJ, Zhang X, Lehrer M, Nagvekar R, Mafra ACP, Monroig-Bosque MDM, Irimie A, Rivera C, Dan Dumitru C, Berindan-Neagoe I, Nikonowicz EP, Zhang S, Calin GA. OncomiR-10b hijacks the small molecule inhibitor linifanib in human cancers. Sci Rep. 2018 Aug 30;8(1):13106. doi: 10.1038/s41598-018-30989-3. PMID: 30166612; PMCID: PMC6117344.",,,,,,https://pubmed.ncbi.nlm.nih.gov/30166612/,,,,,,Not Found,No,No,,,,