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,Link to Pubchem,Link to PDB resource,Found in Drugbank,Approved drug (DrugBank),Other status,Drugbank link,Link,Note,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,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,https://pubchem.ncbi.nlm.nih.gov/compound/4454,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB00452,https://go.drugbank.com/drugs/DB00452,
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,[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,https://pubchem.ncbi.nlm.nih.gov/compound/4212,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5DC1%3DC(O)C2%3DC(C(O)%3DC1%5BH%5D)C(%3DO)C1%3DC(C2%3DO)C(NCCNCCO)%3DC(%5BH%5D)C(%5BH%5D)%3DC1NCCNCCO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5DC1%3DC(O)C2%3DC(C(O)%3DC1%5BH%5D)C(%3DO)C1%3DC(C2%3DO)C(NCCNCCO)%3DC(%5BH%5D)C(%5BH%5D)%3DC1NCCNCCO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB01204,https://go.drugbank.com/drugs/DB01204,
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,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,Not Found,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC1%3DCC2%3DC(C%3DC1C)N(C%5BC%40H%5D(O)%5BC%40H%5D(O)%5BC%40H%5D(O)COP(O)(%3DO)OP(O)(%3DO)O%5BC%40H%5D1O%5BC%40H%5D(%5BC%40H%5D(O)%5BC%40%40H%5D1O)N1C%3DNC3%3DC1C(N)%3DNC%3DN3)C1%3DNC(%3DO)NC(%3DO)C1%3DN2%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC1%3DCC2%3DC(C%3DC1C)N(C%5BC%40H%5D(O)%5BC%40H%5D(O)%5BC%40H%5D(O)COP(O)(%3DO)OP(O)(%3DO)O%5BC%40H%5D1O%5BC%40H%5D(%5BC%40H%5D(O)%5BC%40%40H%5D1O)N1C%3DNC3%3DC1C(N)%3DNC%3DN3)C1%3DNC(%3DO)NC(%3DO)C1%3DN2%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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,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,https://pubchem.ncbi.nlm.nih.gov/compound/643976,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC1%3DCC2%3DC(C%3DC1C)N(C%5BC%40H%5D(O)%5BC%40H%5D(O)%5BC%40H%5D(O)COP(O)(O)%3DO)C1%3DNC(%3DO)NC(%3DO)C1%3DN2%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC1%3DCC2%3DC(C%3DC1C)N(C%5BC%40H%5D(O)%5BC%40H%5D(O)%5BC%40H%5D(O)COP(O)(O)%3DO)C1%3DNC(%3DO)NC(%3DO)C1%3DN2%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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,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,https://pubchem.ncbi.nlm.nih.gov/compound/493570,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC1%3DCC2%3DC(C%3DC1C)N(C%5BC%40H%5D(O)%5BC%40H%5D(O)%5BC%40H%5D(O)CO)C1%3DNC(%3DO)NC(%3DO)C1%3DN2%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC1%3DCC2%3DC(C%3DC1C)N(C%5BC%40H%5D(O)%5BC%40H%5D(O)%5BC%40H%5D(O)CO)C1%3DNC(%3DO)NC(%3DO)C1%3DN2%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational Nutraceutical Vet_approved,DB00140,https://go.drugbank.com/drugs/DB00140,
DBoRL47,Creatine,2-(N-methylcarbamimidamido)acetic acid,CN(CC(=O)O)C(=N)N,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,https://pubchem.ncbi.nlm.nih.gov/compound/586,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN(CC(%3DO)O)C(%3DN)N%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN(CC(%3DO)O)C(%3DN)N%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational Nutraceutical,DB00148,https://go.drugbank.com/drugs/DB00148,
DBoRL62,Urea,urea,NC(N)=O,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,https://pubchem.ncbi.nlm.nih.gov/compound/1176,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC(N)%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC(N)%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB03904,https://go.drugbank.com/drugs/DB03904,
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[15.2.1.1²,?.1?,¹?.1¹²,¹?]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,[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
",1356.395,-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,https://pubchem.ncbi.nlm.nih.gov/compound/57418127,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BCo%2B3%5D.%5BC-%5D%23N.C%5BC%40H%5D(CNC(%3DO)CC%5BC%40%5D1(C)%5BC%40%40H%5D(CC(N)%3DO)%5BC%40H%5D2%5BN-%5D%5C%5CC1%3DC(C)%2FC1%3DN%2FC(%3DC%5C%5CC3%3DN%5C%5CC(%3DC(C)%2FC4%3DN%5BC%40%5D2(C)%5BC%40%40%5D(C)(CC(N)%3DO)%5BC%40%40H%5D4CCC(N)%3DO)%5C%5C%5BC%40%40%5D(C)(CC(N)%3DO)%5BC%40%40H%5D3CCC(N)%3DO)%2FC(C)(C)%5BC%40%40H%5D1CCC(N)%3DO)OP(O)(%3DO)O%5BC%40H%5D1%5BC%40H%5D(CO)O%5BC%40%40H%5D(%5BC%40%40H%5D1O)N1C%3DNC2%3DCC(C)%3DC(C)C%3DC12%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BCo%2B3%5D.%5BC-%5D%23N.C%5BC%40H%5D(CNC(%3DO)CC%5BC%40%5D1(C)%5BC%40%40H%5D(CC(N)%3DO)%5BC%40H%5D2%5BN-%5D%5C%5CC1%3DC(C)%2FC1%3DN%2FC(%3DC%5C%5CC3%3DN%5C%5CC(%3DC(C)%2FC4%3DN%5BC%40%5D2(C)%5BC%40%40%5D(C)(CC(N)%3DO)%5BC%40%40H%5D4CCC(N)%3DO)%5C%5C%5BC%40%40%5D(C)(CC(N)%3DO)%5BC%40%40H%5D3CCC(N)%3DO)%2FC(C)(C)%5BC%40%40H%5D1CCC(N)%3DO)OP(O)(%3DO)O%5BC%40H%5D1%5BC%40H%5D(CO)O%5BC%40%40H%5D(%5BC%40%40H%5D1O)N1C%3DNC2%3DCC(C)%3DC(C)C%3DC12%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%229ed70bc122c70de5cff31561930726e8%22%7D%7D,Yes,Yes,Nutraceutical,DB00115,https://go.drugbank.com/drugs/DB00115,
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,CC(O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)C1=NC(=NC(N)=C1C)C(CC(N)=O)NCC(N)C(N)=O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)C1=CN=CN1)C(=O)NCCC1=NC(=CS1)C1=NC(=CS1)C(=O)NCCC[S+](C)C,"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,https://pubchem.ncbi.nlm.nih.gov/compound/84068,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Cc1c(N)nc(C(CC(N)%3DO)NCC(N)C(N)%3DO)nc1C(%3DO)NC(C(%3DO)NC(C)C(O)C(C)C(%3DO)NC(C(%3DO)NCCc1nc(-c2nc(C(%3DO)NCCC%5BS%2B%5D(C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)%3DO)C1O)c1cnc%5BnH%5D1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Cc1c(N)nc(C(CC(N)%3DO)NCC(N)C(N)%3DO)nc1C(%3DO)NC(C(%3DO)NC(C)C(O)C(C)C(%3DO)NC(C(%3DO)NCCc1nc(-c2nc(C(%3DO)NCCC%5BS%2B%5D(C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)%3DO)C1O)c1cnc%5BnH%5D1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB00290,https://go.drugbank.com/drugs/DB00290,
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,CC1=C(C)C=C2N(CC(O)C(O)C(O)COP(O)(O)=O)C3=NC(=O)NC(=O)C3=NC2=C1,"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,https://pubchem.ncbi.nlm.nih.gov/compound/710,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Cc1cc2nc3c(%3DO)%5BnH%5Dc(%3DO)nc-3n(CC(O)C(O)C(O)COP(%3DO)(O)O)c2cc1C%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Cc1cc2nc3c(%3DO)%5BnH%5Dc(%3DO)nc-3n(CC(O)C(O)C(O)COP(%3DO)(O)O)c2cc1C%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB03247,https://go.drugbank.com/drugs/DB03247,
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,NC1=C2N=CN(C3OC(COP(O)(O)=O)C(O)C3O)C2=NC=N1,"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,https://pubchem.ncbi.nlm.nih.gov/compound/224,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Nc1ncnc2c1ncn2C1OC(COP(%3DO)(O)O)C(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Nc1ncnc2c1ncn2C1OC(COP(%3DO)(O)O)C(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational Nutraceutical,DB00131,https://go.drugbank.com/drugs/DB00131,
DBoRL145,Norepinephrine,"4-(2-amino-1-hydroxyethyl)benzene-1,2-diol",NCC(O)c1ccc(O)c(O)c1,NCC(O)C1=CC=C(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,https://pubchem.ncbi.nlm.nih.gov/compound/951,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCC(O)c1ccc(O)c(O)c1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCC(O)c1ccc(O)c(O)c1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB00368,https://go.drugbank.com/drugs/DB00368,
DBoRL147,Theophylline,"1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione",Cn1c(=O)c2[nH]cnc2n(C)c1=O,CN1C2=C(NC=N2)C(=O)N(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,https://pubchem.ncbi.nlm.nih.gov/compound/2153,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Cn1c(%3DO)c2%5BnH%5Dcnc2n(C)c1%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Cn1c(%3DO)c2%5BnH%5Dcnc2n(C)c1%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB00277,https://go.drugbank.com/drugs/DB00277,
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,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,https://pubchem.ncbi.nlm.nih.gov/compound/3021,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCC1CCC(N)C(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)O1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCC1CCC(N)C(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)O1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB13270,https://go.drugbank.com/drugs/DB13270,
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,CC(O)C(C)C1OC1CC1COC(CC(C)=CC(=O)OCCCCCCCCC(O)=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,https://pubchem.ncbi.nlm.nih.gov/compound/4264,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC(%3DCC(%3DO)OCCCCCCCCC(%3DO)O)CC1OCC(CC2OC2C(C)C(C)O)C(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC(%3DCC(%3DO)OCCCCCCCCC(%3DO)O)CC1OCC(CC2OC2C(C)C(C)O)C(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational Vet_approved,DB00410,https://go.drugbank.com/drugs/DB00410,
DBoRL171,Proflavine (PR),"acridine-3,6-diamine",NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1,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,https://pubchem.ncbi.nlm.nih.gov/compound/7099,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC1%3DCC2%3DNC3%3DCC(N)%3DCC%3DC3C%3DC2C%3DC1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC1%3DCC2%3DNC3%3DCC(N)%3DCC%3DC3C%3DC2C%3DC1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB01123,https://go.drugbank.com/drugs/DB01123,
DBoRL179,Biotin,"5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid",O=C(O)CCCCC1SCC2NC(=O)NC21,OC(=O)CCCCC1SCC2NC(=O)NC12,"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,https://pubchem.ncbi.nlm.nih.gov/compound/253,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22O%3DC(O)CCCCC1SCC2NC(%3DO)NC21%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22O%3DC(O)CCCCC1SCC2NC(%3DO)NC21%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational Nutraceutical,DB00121,https://go.drugbank.com/drugs/DB00121,
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,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, Rösch 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,https://pubchem.ncbi.nlm.nih.gov/compound/5066,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(O)C2O)C(N)C(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(O)C2O)C(N)C(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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],[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,Not Found,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5DC1C(O)C(C%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)OC(OC2C(N)CC(C(OC3OC(CO)C(O)C(C3O)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)C2O)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)C1%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5DC1C(O)C(C%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)OC(OC2C(N)CC(C(OC3OC(CO)C(O)C(C3O)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)C2O)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)C1%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB00684,https://go.drugbank.com/drugs/DB00684,This is the isomeric form of the drug approved by USFDA.
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,[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,https://pubchem.ncbi.nlm.nih.gov/compound/4454,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5DN(%5BH%5D)CC1OC(OC2C(CO)OC(OC3C(O)C(CC(N(%5BH%5D)%5BH%5D)C3OC3OC(CN(%5BH%5D)%5BH%5D)C(O)C(O)C3N(%5BH%5D)%5BH%5D)N(%5BH%5D)%5BH%5D)C2O)C(N)C(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5DN(%5BH%5D)CC1OC(OC2C(CO)OC(OC3C(O)C(CC(N(%5BH%5D)%5BH%5D)C3OC3OC(CN(%5BH%5D)%5BH%5D)C(O)C(O)C3N(%5BH%5D)%5BH%5D)N(%5BH%5D)%5BH%5D)C2O)C(N)C(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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,[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,https://pubchem.ncbi.nlm.nih.gov/compound/2724055,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BN%2B%5D1%3DC2C%3DC(N)C%3DCC2%3DCC2%3DCC%3DC(N)C%3DC12%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BN%2B%5D1%3DC2C%3DC(N)C%3DCC2%3DCC2%3DCC%3DC(N)C%3DC12%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB01123,https://go.drugbank.com/drugs/DB01123,This is the isomeric form of the drug approved by USFDA.
DBoRL204,DL-Dopa,"2-amino-3-(3,4-dihydroxyphenyl)propanoic acid",NC(Cc1ccc(O)c(O)c1)C(=O)O,NC(CC1=CC=C(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,https://pubchem.ncbi.nlm.nih.gov/compound/836,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC(Cc1ccc(O)c(O)c1)C(%3DO)O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC(Cc1ccc(O)c(O)c1)C(%3DO)O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB01235,https://go.drugbank.com/drugs/DB01235,
DBoRL208,Dopamine,"4-(2-aminoethyl)benzene-1,2-diol",NCCc1ccc(O)c(O)c1,NCCC1=CC=C(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,https://pubchem.ncbi.nlm.nih.gov/compound/681,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCCc1ccc(O)c(O)c1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCCc1ccc(O)c(O)c1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB00988,https://go.drugbank.com/drugs/DB00988,
DBoRL210,O(4)-Phosphotyrosine,2-amino-3-[4-(phosphonooxy)phenyl]propanoic acid,NC(Cc1ccc(OP(=O)(O)O)cc1)C(=O)O,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,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,https://pubchem.ncbi.nlm.nih.gov/compound/4589477,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC(Cc1ccc(OP(%3DO)(O)O)cc1)C(%3DO)O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC(Cc1ccc(OP(%3DO)(O)O)cc1)C(%3DO)O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,experimemtal,DB01962,https://go.drugbank.com/drugs/DB01962,
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,CN(C)C1C2CC3CC4=C(C(O)=CC=C4N(C)C)C(O)=C3C(=O)C2(O)C(O)=C(C(N)=O)C1=O,"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,https://pubchem.ncbi.nlm.nih.gov/compound/54687237,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN(C)c1ccc(O)c2c1CC1CC3C(N(C)C)C(%3DO)C(C(N)%3DO)%3DC(O)C3(O)C(%3DO)C1%3DC2O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN(C)c1ccc(O)c2c1CC1CC3C(N(C)C)C(%3DO)C(C(N)%3DO)%3DC(O)C3(O)C(%3DO)C1%3DC2O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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[8.4.0.0³,?]tetradecan-7-one",CNC1C(O)C(NC)C2OC3(O)C(=O)CC(C)OC3OC2C1O,CNC1C(O)C(NC)C2OC3(O)C(OC(C)CC3=O)OC2C1O,"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,https://pubchem.ncbi.nlm.nih.gov/compound/2021,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CNC1C(O)C(NC)C2OC3(O)C(%3DO)CC(C)OC3OC2C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CNC1C(O)C(NC)C2OC3(O)C(%3DO)CC(C)OC3OC2C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational Vet_approved,DB00919,https://go.drugbank.com/drugs/DB00919,
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,CN(C)C1C2CC3C(=C(O)C4=C(O)C=CC=C4C3(C)O)C(=O)C2(O)C(O)=C(C(N)=O)C1=O,"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,https://pubchem.ncbi.nlm.nih.gov/compound/54685734,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN(C)C1C(%3DO)C(C(N)%3DO)%3DC(O)C2(O)C(%3DO)C3%3DC(O)c4c(O)cccc4C(C)(O)C3CC12%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN(C)C1C(%3DO)C(C(N)%3DO)%3DC(O)C2(O)C(%3DO)C3%3DC(O)c4c(O)cccc4C(C)(O)C3CC12%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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,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,Not Found,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22N%5BC%40%40H%5D1C%5BC%40H%5D(N)%5BC%40%40H%5D(O%5BC%40H%5D2O%5BC%40H%5D(CO)%5BC%40%40H%5D(O)%5BC%40H%5D(O)%5BC%40H%5D2N)C(O%5BC%40%40H%5D2O%5BC%40H%5D(CO)%5BC%40%40H%5D(OC3O%5BC%40%40H%5D(CO)%5BC%40%40H%5D(O)%5BC%40H%5D(O)%5BC%40H%5D3N)%5BC%40H%5D2O)%5BC%40H%5D1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22N%5BC%40%40H%5D1C%5BC%40H%5D(N)%5BC%40%40H%5D(O%5BC%40H%5D2O%5BC%40H%5D(CO)%5BC%40%40H%5D(O)%5BC%40H%5D(O)%5BC%40H%5D2N)C(O%5BC%40%40H%5D2O%5BC%40H%5D(CO)%5BC%40%40H%5D(OC3O%5BC%40%40H%5D(CO)%5BC%40%40H%5D(O)%5BC%40H%5D(O)%5BC%40H%5D3N)%5BC%40H%5D2O)%5BC%40H%5D1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB01421,https://go.drugbank.com/drugs/DB01421,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,[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,Not Found,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BN%2B%5D(%5BH%5D)(%5BH%5D)CC1OC(OC2C(N)CC(C(OC3OC(CO)C(O)C(C3O)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)C2O)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)C(O)C(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BN%2B%5D(%5BH%5D)(%5BH%5D)CC1OC(OC2C(N)CC(C(OC3OC(CO)C(O)C(C3O)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)C2O)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)C(O)C(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational Vet_approved,DB01172,https://go.drugbank.com/drugs/DB01172,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],[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,Not Found,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BN%2B%5D(%5BH%5D)(%5BH%5D)CC1OC(OC2C(CO)OC(OC3C(O)C(CC(C3OC3OC(C%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)C(O)C(O)C3%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)C2O)C(C(O)C1O)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BN%2B%5D(%5BH%5D)(%5BH%5D)CC1OC(OC2C(CO)OC(OC3C(O)C(CC(C3OC3OC(C%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)C(O)C(O)C3%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)C2O)C(C(O)C1O)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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],[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,Not Found,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BN%2B%5D(%5BH%5D)(%5BH%5D)CC1OC(OC2C(CO)OC(OC3C(O)C(CC(C3OC3OC(CO)C(O)C(O)C3%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)C2O)C(C(O)C1O)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BN%2B%5D(%5BH%5D)(%5BH%5D)CC1OC(OC2C(CO)OC(OC3C(O)C(CC(C3OC3OC(CO)C(O)C(O)C3%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)C2O)C(C(O)C1O)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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],[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,Not Found,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BN%2B%5D(%5BH%5D)(%5BH%5D)CC1OC(OC2C(OC3OC(CO)C(O)C3O)C(O)C(CC2%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)C(C(O)C1O)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BN%2B%5D(%5BH%5D)(%5BH%5D)CC1OC(OC2C(OC3OC(CO)C(O)C3O)C(O)C(CC2%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)C(C(O)C1O)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Experimental,DB03615,https://go.drugbank.com/drugs/DB03615,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,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,https://pubchem.ncbi.nlm.nih.gov/compound/5297,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(NC(N)%3DN)C(O)C2NC(N)%3DN)OC(C)C1(O)C%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(NC(N)%3DN)C(O)C2NC(N)%3DN)OC(C)C1(O)C%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Vet_approved,DB01082,https://go.drugbank.com/drugs/DB01082,
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,CC1=C(C)C=C2N(CC(O)C(O)C(O)COP(O)(=O)OP(O)(=O)OCC3OC(C(O)C3O)N3C=NC4=C(N)N=CN=C34)C3=NC(=O)NC(=O)C3=NC2=C1,"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,https://pubchem.ncbi.nlm.nih.gov/compound/703,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Cc1cc2nc3c(%3DO)%5BnH%5Dc(%3DO)nc-3n(CC(O)C(O)C(O)COP(%3DO)(O)OP(%3DO)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c2cc1C%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Cc1cc2nc3c(%3DO)%5BnH%5Dc(%3DO)nc-3n(CC(O)C(O)C(O)COP(%3DO)(O)OP(%3DO)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c2cc1C%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB03147,https://go.drugbank.com/drugs/DB03147,
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,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,https://pubchem.ncbi.nlm.nih.gov/compound/4689,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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,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)(CC(C)C(=O)C(C)C(O)C1(C)O)OC,"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,,,,,,"Schlünzen 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,https://pubchem.ncbi.nlm.nih.gov/compound/4663848,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CCC1OC(%3DO)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(%3DO)C(C)C(O)C1(C)O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CCC1OC(%3DO)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(%3DO)C(C)C(O)C1(C)O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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,CCCC1CC(N(C)C1)C(=O)NC(C(C)Cl)C1OC(SC)C(O)C(O)C1O,"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,,,,,,"Schlünzen 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,https://pubchem.ncbi.nlm.nih.gov/compound/2786,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CCCC1CC(C(%3DO)NC(C(C)Cl)C2OC(SC)C(O)C(O)C2O)N(C)C1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CCCC1CC(C(%3DO)NC(C(C)Cl)C2OC(SC)C(O)C(O)C2O)N(C)C1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Vet_approved,DB01190,https://go.drugbank.com/drugs/DB01190,
DBoRL242,Phenothiazine 4,"3,3-bis(4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-1-one",O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,OC1=CC=C(C=C1)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(O)C=C1,"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,https://pubchem.ncbi.nlm.nih.gov/compound/4764,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22O%3DC1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22O%3DC1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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[11.8.0.0²,¹?.0?,?.0¹?,²?]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,[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,Not Found,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BC%40%40%5D12CC%5BC%40H%5D(O)%5BC%40H%5D(C(%3DO)OC)%5BC%40%40%5D1(%5BH%5D)C%5BC%40%40%5D1(%5BH%5D)C3%3DC(CC%5BN%40%5D1(C)C2)C1%3DC(N3)C%3DCC%3DC1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BC%40%40%5D12CC%5BC%40H%5D(O)%5BC%40H%5D(C(%3DO)OC)%5BC%40%40%5D1(%5BH%5D)C%5BC%40%40%5D1(%5BH%5D)C3%3DC(CC%5BN%40%5D1(C)C2)C1%3DC(N3)C%3DCC%3DC1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational Vet_approved,DB01392,https://go.drugbank.com/drugs/DB01392,This is the isomeric form of the drug approved by USFDA.
DBoRL246,Promazine,dimethyl[3-(10H-phenothiazin-10-yl)propyl]amine,CN(C)CCCN1c2ccccc2Sc2ccccc21,CN(C)CCCN1C2=CC=CC=C2SC2=CC=CC=C12,"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,https://pubchem.ncbi.nlm.nih.gov/compound/4926,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN(C)CCCN1c2ccccc2Sc2ccccc21%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN(C)CCCN1c2ccccc2Sc2ccccc21%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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,CN(CCO)CC(O)CN1C=NC2=C1C(=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,https://pubchem.ncbi.nlm.nih.gov/compound/9913,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN(CCO)CC(O)Cn1cnc2c1c(%3DO)n(C)c(%3DO)n2C%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN(CCO)CC(O)Cn1cnc2c1c(%3DO)n(C)c(%3DO)n2C%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Withdrawn,DB09092,https://go.drugbank.com/drugs/DB09092,
DBoRL257,Caffeine,"1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione",Cn1c(=O)c2c(ncn2C)n(C)c1=O,CN1C=NC2=C1C(=O)N(C)C(=O)N2C,"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,https://pubchem.ncbi.nlm.nih.gov/compound/2519,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Cn1c(%3DO)c2c(ncn2C)n(C)c1%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Cn1c(%3DO)c2c(ncn2C)n(C)c1%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB00201,https://go.drugbank.com/drugs/DB00201,
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,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,https://pubchem.ncbi.nlm.nih.gov/compound/5496,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB00684,https://go.drugbank.com/drugs/DB00684,
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,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)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,https://pubchem.ncbi.nlm.nih.gov/compound/2269,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CCC1OC(%3DO)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%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CCC1OC(%3DO)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%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB00207,https://go.drugbank.com/drugs/DB00207,
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,COC1C(O)CC(=O)OC(C)CC=CC=CC(OC2CCC(C(C)O2)N(C)C)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C(C1O)N(C)C,"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,https://pubchem.ncbi.nlm.nih.gov/compound/5266,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22COC1C(O)CC(%3DO)OC(C)CC%3DCC%3DCC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC%3DO)C1OC1OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C(N(C)C)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22COC1C(O)CC(%3DO)OC(C)CC%3DCC%3DCC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC%3DO)C1OC1OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C(N(C)C)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB06145,https://go.drugbank.com/drugs/DB06145,
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,CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(N=C(N)N)C(O)C2N=C(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,-7.059776897,12,19,9,3,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,https://pubchem.ncbi.nlm.nih.gov/compound/5297,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CNC1C(OC2C(OC3C(O)C(O)C(N%3DC(N)N)C(O)C3N%3DC(N)N)OC(C)C2(O)C%3DO)OC(CO)C(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CNC1C(OC2C(OC3C(O)C(O)C(N%3DC(N)N)C(O)C3N%3DC(N)N)OC(C)C2(O)C%3DO)OC(CO)C(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Vet_approved,DB01082,https://go.drugbank.com/drugs/DB01082,This is the isomeric form of the drug approved by USFDA.
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,CCC1OC(=O)C(C)C(=O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(CC(C)C(=O)C(C)C2N(CCCCN3C=NC(=C3)C3=CC=CN=C3)C(=O)OC12C)OC,"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,https://pubchem.ncbi.nlm.nih.gov/compound/21881641,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CCC1OC(%3DO)C(C)C(%3DO)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(%3DO)C(C)C2N(CCCCn3cnc(-c4cccnc4)c3)C(%3DO)OC12C%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CCC1OC(%3DO)C(C)C(%3DO)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(%3DO)C(C)C2N(CCCCn3cnc(-c4cccnc4)c3)C(%3DO)OC12C%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB00976,https://go.drugbank.com/drugs/DB00976,
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,CC1C2C(O)C3C(N(C)C)C(=O)C(C(N)=O)=C(O)C3(O)C(=O)C2=C(O)C2=C(O)C=CC=C12,"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,https://pubchem.ncbi.nlm.nih.gov/compound/54681536,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC1c2cccc(O)c2C(O)%3DC2C(%3DO)C3(O)C(O)%3DC(C(N)%3DO)C(%3DO)C(N(C)C)C3C(O)C21%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC1c2cccc(O)c2C(O)%3DC2C(%3DO)C3(O)C(O)%3DC(C(N)%3DO)C(%3DO)C(N(C)C)C3C(O)C21%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational Vet_approved,DB00254,https://go.drugbank.com/drugs/DB00254,This is the isomeric form of the drug approved by USFDA.
DBoRL368,Thiethylperazine,2-(ethylsulfanyl)-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine,CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2,CCSC1=CC=C2SC3=CC=CC=C3N(CCCN3CCN(C)CC3)C2=C1,"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,https://pubchem.ncbi.nlm.nih.gov/compound/5440,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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,CN1CCN(CCCN2C3=CC=CC=C3SC3=CC=C(C=C23)C(F)(F)F)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,https://pubchem.ncbi.nlm.nih.gov/compound/5566,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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[23.2.1.0³,?]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,CCN(CC)CCS(=O)(=O)C1CCN2C1C(=O)OC(C(C)C)C(C)C=CC(=O)NCC=CC(C)=CC(O)CC(=O)CC1=NC(=CO1)C2=O,"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, Schlünzen 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,https://pubchem.ncbi.nlm.nih.gov/compound/5366,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CCN(CC)CCS(%3DO)(%3DO)C1CCN2C(%3DO)c3coc(n3)CC(%3DO)CC(O)C%3DC(C)C%3DCCNC(%3DO)C%3DCC(C)C(C(C)C)OC(%3DO)C12%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CCN(CC)CCS(%3DO)(%3DO)C1CCN2C(%3DO)c3coc(n3)CC(%3DO)CC(O)C%3DC(C)C%3DCCNC(%3DO)C%3DCC(C)C(C(C)C)OC(%3DO)C12%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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?,¹?]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,CCC1NC(=O)C(NC(=O)C2=NC=CC=C2O)C(C)OC(=O)C(NC(=O)C2CC(=O)C(CSC3CN4CCC3CC4)CN2C(=O)C(CC2=CC=C(C=C2)N(C)C)N(C)C(=O)C2CCCN2C1=O)C1=CC=CC=C1,"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, Schlünzen 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,https://pubchem.ncbi.nlm.nih.gov/compound/71338,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CCC1NC(%3DO)C(NC(%3DO)c2ncccc2O)C(C)OC(%3DO)C(c2ccccc2)NC(%3DO)C2CC(%3DO)C(CSC3CN4CCC3CC4)CN2C(%3DO)C(Cc2ccc(N(C)C)cc2)N(C)C(%3DO)C2CCCN2C1%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CCC1NC(%3DO)C(NC(%3DO)c2ncccc2O)C(C)OC(%3DO)C(c2ccccc2)NC(%3DO)C2CC(%3DO)C(CSC3CN4CCC3CC4)CN2C(%3DO)C(Cc2ccc(N(C)C)cc2)N(C)C(%3DO)C2CCCN2C1%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB01369,https://go.drugbank.com/drugs/DB01369,
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,OC(=O)C1=CN(C2CC2)C2=CC(N3CCNCC3)=C(F)C=C2C1=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, Palù 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,https://pubchem.ncbi.nlm.nih.gov/compound/2764,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22O%3DC(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22O%3DC(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB00537,https://go.drugbank.com/drugs/DB00537,
DBoRL378,Glycine,2-aminoacetic acid,NCC(=O)O,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,https://pubchem.ncbi.nlm.nih.gov/compound/750,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCC(%3DO)O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCC(%3DO)O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Nutraceutical Vet_approved,DB00145,https://go.drugbank.com/drugs/DB00145,
DBoRL384,Adenine,7H-purin-6-amine,Nc1ncnc2nc[nH]c12,NC1=C2NC=NC2=NC=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,-0.573470231,2,4,0,2,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,https://pubchem.ncbi.nlm.nih.gov/compound/190,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Nc1ncnc2nc%5BnH%5Dc12%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Nc1ncnc2nc%5BnH%5Dc12%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Nutraceutical,DB00173,https://go.drugbank.com/drugs/DB00173,
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],[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,Not Found,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BN%2B%5D(%5BH%5D)(%5BH%5D)C1CC(C(OC2OC(CO)C(O)C(O)C2%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)C(OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2O)C1O)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BN%2B%5D(%5BH%5D)(%5BH%5D)C1CC(C(OC2OC(CO)C(O)C(O)C2%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)C(OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2O)C1O)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB01421,https://go.drugbank.com/drugs/DB01421,This is the isomeric form of the drug approved by USFDA.
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,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,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,https://pubchem.ncbi.nlm.nih.gov/compound/3255,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CCC1OC(%3DO)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(%3DO)C(C)C(O)C1(C)O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CCC1OC(%3DO)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(%3DO)C(C)C(O)C1(C)O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational Vet_approved,DB00199,https://go.drugbank.com/drugs/DB00199,
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,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,,,,,,"François 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,https://pubchem.ncbi.nlm.nih.gov/compound/815,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational Vet_approved,DB01172,https://go.drugbank.com/drugs/DB01172,
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,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,https://pubchem.ncbi.nlm.nih.gov/compound/1132,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC1%3DC(CCOP(O)(%3DO)OP(O)(O)%3DO)SC%3D%5BN%2B%5D1CC1%3DCN%3DC(C)N%3DC1N%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC1%3DC(CCOP(O)(%3DO)OP(O)(O)%3DO)SC%3D%5BN%2B%5D1CC1%3DCN%3DC(C)N%3DC1N%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Experimental,DB01987,https://go.drugbank.com/drugs/DB01987,
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,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,https://pubchem.ncbi.nlm.nih.gov/compound/1130,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC1%3DC(CCO)SC%3D%5BN%2B%5D1CC1%3DCN%3DC(C)N%3DC1N%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC1%3DC(CCO)SC%3D%5BN%2B%5D1CC1%3DCN%3DC(C)N%3DC1N%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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,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,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,https://pubchem.ncbi.nlm.nih.gov/compound/1132,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Cc1ncc(C%5Bn%2B%5D2csc(CCOP(%3DO)(O)OP(%3DO)(O)O)c2C)c(N)n1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Cc1ncc(C%5Bn%2B%5D2csc(CCOP(%3DO)(O)OP(%3DO)(O)O)c2C)c(N)n1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Experimental,DB01987,https://go.drugbank.com/drugs/DB01987,
DBoRL483,Yohimbine,"methyl 18-hydroxy-3,13-diazapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,²?]henicosa-2(10),4,6,8-tetraene-19-carboxylate",COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21,COC(=O)C1C(O)CCC2CN3CCC4=C(NC5=CC=CC=C45)C3CC12,"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,https://pubchem.ncbi.nlm.nih.gov/compound/2866,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22COC(%3DO)C1C(O)CCC2CN3CCc4c(%5BnH%5Dc5ccccc45)C3CC21%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22COC(%3DO)C1C(O)CCC2CN3CCc4c(%5BnH%5Dc5ccccc45)C3CC21%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational Vet_approved,DB01392,https://go.drugbank.com/drugs/DB01392,
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,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,https://pubchem.ncbi.nlm.nih.gov/compound/53486171,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC%5BC%40H%5D1O%5BC%40H%5D(O%5BC%40%40H%5D2%5BC%40%40H%5D(N)C%5BC%40%40H%5D(N)%5BC%40H%5D(O)%5BC%40H%5D2OC2O%5BC%40H%5D(CO)%5BC%40%40H%5D(O)%5BC%40H%5D2O)%5BC%40H%5D(N)%5BC%40%40H%5D(O)%5BC%40%40H%5D1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC%5BC%40H%5D1O%5BC%40H%5D(O%5BC%40%40H%5D2%5BC%40%40H%5D(N)C%5BC%40%40H%5D(N)%5BC%40H%5D(O)%5BC%40H%5D2OC2O%5BC%40H%5D(CO)%5BC%40%40H%5D(O)%5BC%40H%5D2O)%5BC%40H%5D(N)%5BC%40%40H%5D(O)%5BC%40%40H%5D1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Experimental,DB03615,https://go.drugbank.com/drugs/DB03615,
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,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, François 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,https://pubchem.ncbi.nlm.nih.gov/compound/2142,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCCC(O)C(%3DO)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCCC(O)C(%3DO)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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,C[S+](CCC(N)C(O)=O)CC1OC(C(O)C1O)N1C=NC2=C(N)N=CN=C12,"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,https://pubchem.ncbi.nlm.nih.gov/compound/1079,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22C%5BS%2B%5D(CCC(N)C(%3DO)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22C%5BS%2B%5D(CCC(N)C(%3DO)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational Nutraceutical,DB00118,https://go.drugbank.com/drugs/DB00118,
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,CC(N(CC1=CN=C(C)N=C1N)C=O)=C(CCOP(O)(O)=O)SC(=O)C1=CC=CC=C1,"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, Ferré-D'Amaré 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,https://pubchem.ncbi.nlm.nih.gov/compound/2320,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC(%3DC(CCOP(%3DO)(O)O)SC(%3DO)c1ccccc1)N(C%3DO)Cc1cnc(C)nc1N%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC(%3DC(CCOP(%3DO)(O)O)SC(%3DO)c1ccccc1)N(C%3DO)Cc1cnc(C)nc1N%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Experimental,DB11748,https://go.drugbank.com/drugs/DB11748,
DBoRL578, Chloro methylpiperazinyl propyl phenothiazine Derivative ,2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine,CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CN1CCN(CCCN2C3=CC=CC=C3SC3=CC=C(Cl)C=C23)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,https://pubchem.ncbi.nlm.nih.gov/compound/4917,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Vet_approved,DB00433,https://go.drugbank.com/drugs/DB00433,
DBoRL580,Chlorpromazine,[3-(2-chloro-10H-phenothiazin-10-yl)propyl]dimethylamine,CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,CN(C)CCCN1C2=CC=CC=C2SC2=CC=C(Cl)C=C12,"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,https://pubchem.ncbi.nlm.nih.gov/compound/2726,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational Vet_approved,DB00477,https://go.drugbank.com/drugs/DB00477,
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,CN(C)CCCN1C2=CC=CC=C2SC2=CC=C(C=C12)C(F)(F)F,"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,https://pubchem.ncbi.nlm.nih.gov/compound/5568,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Vet_approved,DB00508,https://go.drugbank.com/drugs/DB00508,
DBoRL595,Berberine,"16,17-dimethoxy-5,7-dioxa-13??-azapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,²?]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,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,https://pubchem.ncbi.nlm.nih.gov/compound/2353,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22COC1%3DCC%3DC2C%3DC3C4%3DC(CC%5BN%2B%5D3%3DCC2%3DC1OC)C%3DC1OCOC1%3DC4%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22COC1%3DCC%3DC2C%3DC3C4%3DC(CC%5BN%2B%5D3%3DCC2%3DC1OC)C%3DC1OCOC1%3DC4%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB04115,https://go.drugbank.com/drugs/DB04115,
DBoRL602,Retapamulin,"4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxotricyclo[5.4.3.0¹,?]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,CC1CCC23CCC(=O)C2C1(C)C(CC(C)(C=C)C(O)C3C)OC(=O)CSC1CC2CCC(C1)N2C,"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,https://pubchem.ncbi.nlm.nih.gov/compound/73046449,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22C%3DCC1(C)CC(OC(%3DO)CSC2CC3CCC(C2)N3C)C2(C)C(C)CCC3(CCC(%3DO)C32)C(C)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22C%3DCC1(C)CC(OC(%3DO)CSC2CC3CCC(C2)N3C)C2(C)C(C)CCC3(CCC(%3DO)C32)C(C)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB01256,https://go.drugbank.com/drugs/DB01256,
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,COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(CC3OC3CC(N)C(O)C(C)O3)C(=O)CO)C(O)=C1C2=O,"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,https://pubchem.ncbi.nlm.nih.gov/compound/1691,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22COc1cccc2c1C(%3DO)c1c(O)c3c(c(O)c1C2%3DO)CC(O)(C(%3DO)CO)CC3OC1CC(N)C(O)C(C)O1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22COc1cccc2c1C(%3DO)c1c(O)c3c(c(O)c1C2%3DO)CC(O)(C(%3DO)CO)CC3OC1CC(N)C(O)C(C)O1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB00997,https://go.drugbank.com/drugs/DB00997,
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,CC(=O)NCC1CN(C(=O)O1)C1=CC=C(N2CCOCC2)C(F)=C1,"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,https://pubchem.ncbi.nlm.nih.gov/compound/3929,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC(%3DO)NCC1CN(c2ccc(N3CCOCC3)c(F)c2)C(%3DO)O1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC(%3DO)NCC1CN(c2ccc(N3CCOCC3)c(F)c2)C(%3DO)O1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB00601,https://go.drugbank.com/drugs/DB00601,
DBoRL780,Lysine,"2,6-diaminohexanoic acid",NCCCCC(N)C(=O)O,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,https://pubchem.ncbi.nlm.nih.gov/compound/866,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCCCCC(N)C(%3DO)O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCCCCC(N)C(%3DO)O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Nutraceutical,DB00123,https://go.drugbank.com/drugs/DB00123,
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,C[S+](CCC(N)C([O-])=O)CC1OC(C(O)C1O)N1C=NC2=C(N)N=CN=C12,"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,https://pubchem.ncbi.nlm.nih.gov/compound/5136,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22C%5BS%2B%5D(CCC(N)C(%3DO)%5BO-%5D)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22C%5BS%2B%5D(CCC(N)C(%3DO)%5BO-%5D)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational Nutraceutical,DB00118,https://go.drugbank.com/drugs/DB00118,
DBoRL873,Berberine,"16,17-dimethoxy-5,7-dioxa-13??-azapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,²?]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,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,https://pubchem.ncbi.nlm.nih.gov/compound/2353,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22COC1%3DC(OC)C2%3DC(C%3DC1)C%3DC1C3%3DC(CC%5BN%2B%5D1%3DC2)C%3DC1OCOC1%3DC3%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22COC1%3DC(OC)C2%3DC(C%3DC1)C%3DC1C3%3DC(CC%5BN%2B%5D1%3DC2)C%3DC1OCOC1%3DC3%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB04115,https://go.drugbank.com/drugs/DB04115,
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,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,https://pubchem.ncbi.nlm.nih.gov/compound/7048781,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC1%3DCC2%3DC(C%3DC1C)N(C%5BC%40H%5D(O)%5BC%40%40H%5D(O)%5BC%40H%5D(O)COP(O)(O)%3DO)C1%3DNC(%3DO)NC(%3DO)C1%3DN2%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC1%3DCC2%3DC(C%3DC1C)N(C%5BC%40H%5D(O)%5BC%40%40H%5D(O)%5BC%40H%5D(O)COP(O)(O)%3DO)C1%3DNC(%3DO)NC(%3DO)C1%3DN2%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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,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,https://pubchem.ncbi.nlm.nih.gov/compound/7048776,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC1%3DCC2%3DC(C%3DC1C)N(C%5BC%40H%5D(O)%5BC%40%40H%5D(O)%5BC%40H%5D(O)CO)C1%3DNC(%3DO)NC(%3DO)C1%3DN2%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC1%3DCC2%3DC(C%3DC1C)N(C%5BC%40H%5D(O)%5BC%40%40H%5D(O)%5BC%40H%5D(O)CO)C1%3DNC(%3DO)NC(%3DO)C1%3DN2%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational Nutraceutical Vet_approved,DB00140,https://go.drugbank.com/drugs/DB00140,
DBoRL888,Proflavine,"acridine-3,6-diamine",NC1=CC2=NC3=C(C=CC(N)=C3)C=C2C=C1,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,https://pubchem.ncbi.nlm.nih.gov/compound/7099,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC1%3DCC2%3DNC3%3DC(C%3DCC(N)%3DC3)C%3DC2C%3DC1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC1%3DCC2%3DNC3%3DC(C%3DCC(N)%3DC3)C%3DC2C%3DC1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB01123,https://go.drugbank.com/drugs/DB01123,
DBoRL889,Proflavin,"acridine-3,6-diamine",Nc1ccc2cc3ccc(N)cc3nc2c1,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,"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,https://pubchem.ncbi.nlm.nih.gov/compound/7099,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Nc1ccc2cc3ccc(N)cc3nc2c1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Nc1ccc2cc3ccc(N)cc3nc2c1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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,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,https://pubchem.ncbi.nlm.nih.gov/compound/4460,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CCNC1CC(N)C(OC2OC(CN)%3DCCC2N)C(O)C1OC1OCC(C)(O)C(NC)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CCNC1CC(N)C(OC2OC(CN)%3DCCC2N)C(O)C1OC1OCC(C)(O)C(NC)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB00955,https://go.drugbank.com/drugs/DB00955,
DBoRL896,Park Davis 2,benzyldimethylnonadecylaminyl,CCCCCCCCCCCCCCCCCCC[N](C)(C)Cc1ccccc1,CCCCCCCCCCCCCCCCCCC[N](C)(C)CC1=CC=CC=C1,"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,Not Found,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CCCCCCCCCCCCCCCCCCC%5BN%5D(C)(C)Cc1ccccc1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CCCCCCCCCCCCCCCCCCC%5BN%5D(C)(C)Cc1ccccc1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB11583,https://go.drugbank.com/drugs/DB11583,This is the isomeric form of the drug approved by USFDA.
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,OCCNCCNC1=C2C(=O)C3=C(O)C=CC(O)=C3C(=O)C2=C(NCCNCCO)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",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,https://pubchem.ncbi.nlm.nih.gov/compound/4212,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22O%3DC1c2c(O)ccc(O)c2C(%3DO)c2c(NCCNCCO)ccc(NCCNCCO)c21%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22O%3DC1c2c(O)ccc(O)c2C(%3DO)c2c(NCCNCCO)ccc(NCCNCCO)c21%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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,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,Not Found,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC(CCO)CCNC1%3DCC%3DC(NCCNCCO)C2%3DC1C(%3DO)C1%3DC(O)C%3DCC(O)%3DC1C2%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC(CCO)CCNC1%3DCC%3DC(NCCNCCO)C2%3DC1C(%3DO)C1%3DC(O)C%3DCC(O)%3DC1C2%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB01204,https://go.drugbank.com/drugs/DB01204,
DBoRL942,NSC61809,"7-[(3-hydroxy-2-phenylpropanoyl)oxy]-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0²,?]nonan-9-ium",C[N+]1(C)C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12,C[N+]1(C)C2CC(CC1C1OC21)OC(=O)C(CO)C1=CC=CC=C1,"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,https://pubchem.ncbi.nlm.nih.gov/compound/4120,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22C%5BN%2B%5D1(C)C2CC(OC(%3DO)C(CO)c3ccccc3)CC1C1OC12%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22C%5BN%2B%5D1(C)C2CC(OC(%3DO)C(CO)c3ccccc3)CC1C1OC12%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB11315,https://go.drugbank.com/drugs/DB11315,
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,COC1CC(OC2C(C)C(OC3OC(C)CC(C3OC(C)=O)N(C)C)C(C)CC3(CO3)C(=O)C(C)C(OC(C)=O)C(C)C(C)OC(=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,,,,,,"Gürel 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,https://pubchem.ncbi.nlm.nih.gov/compound/418931,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22COC1CC(OC2C(C)C(%3DO)OC(C)C(C)C(OC(C)%3DO)C(C)C(%3DO)C3(CO3)CC(C)C(OC3OC(C)CC(N(C)C)C3OC(C)%3DO)C2C)OC(C)C1OC(C)%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22COC1CC(OC2C(C)C(%3DO)OC(C)C(C)C(OC(C)%3DO)C(C)C(%3DO)C3(CO3)CC(C)C(OC3OC(C)CC(N(C)C)C3OC(C)%3DO)C2C)OC(C)C1OC(C)%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB13179,https://go.drugbank.com/drugs/DB13179,
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,NCCCC(N)CC(=O)NC1CNC(=O)C(NC(=O)C(NC(=O)C(CO)NC(=O)C(CO)NC1=O)=CNC(N)=O)C1CC(O)NC(N)=N1,"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,https://pubchem.ncbi.nlm.nih.gov/compound/14973,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCCCC(N)CC(%3DO)NC1CNC(%3DO)C(C2CC(O)NC(N)%3DN2)NC(%3DO)C(%3DCNC(N)%3DO)NC(%3DO)C(CO)NC(%3DO)C(CO)NC1%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCCCC(N)CC(%3DO)NC1CNC(%3DO)C(C2CC(O)NC(N)%3DN2)NC(%3DO)C(%3DCNC(N)%3DO)NC(%3DO)C(CO)NC(%3DO)C(CO)NC1%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB06827,https://go.drugbank.com/drugs/DB06827,This is the isomeric form of the drug approved by USFDA.
DBoRL1210,Glutamine,2-amino-4-carbamoylbutanoic acid,NC(=O)CCC(N)C(=O)O,NC(CCC(N)=O)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,https://pubchem.ncbi.nlm.nih.gov/compound/738,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC(%3DO)CCC(N)C(%3DO)O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC(%3DO)CCC(N)C(%3DO)O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational Nutraceutical,DB00130,https://go.drugbank.com/drugs/DB00130,
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],[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,Not Found,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BN%2B%5D(%5BH%5D)(%5BH%5D)CC%5BC%40H%5D(O)C(%3DO)N%5BC%40%40H%5D1C%5BC%40%40H%5D(%5BC%40%40H%5D(O%5BC%40H%5D2O%5BC%40H%5D(C%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)%5BC%40%40H%5D(O)%5BC%40H%5D(O)%5BC%40H%5D2O)%5BC%40H%5D(O)%5BC%40H%5D1O%5BC%40H%5D1O%5BC%40H%5D(CO)%5BC%40%40H%5D(O)%5BC%40H%5D(%5BC%40H%5D1O)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BN%2B%5D(%5BH%5D)(%5BH%5D)CC%5BC%40H%5D(O)C(%3DO)N%5BC%40%40H%5D1C%5BC%40%40H%5D(%5BC%40%40H%5D(O%5BC%40H%5D2O%5BC%40H%5D(C%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)%5BC%40%40H%5D(O)%5BC%40H%5D(O)%5BC%40H%5D2O)%5BC%40H%5D(O)%5BC%40H%5D1O%5BC%40H%5D1O%5BC%40H%5D(CO)%5BC%40%40H%5D(O)%5BC%40H%5D(%5BC%40H%5D1O)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational Vet_approved,DB00479,https://go.drugbank.com/drugs/DB00479,This is the isomeric form of the drug approved by USFDA.
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,[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,https://pubchem.ncbi.nlm.nih.gov/compound/24848320,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BN%2B%5D(%5BH%5D)(CCO)CCNC1%3DC2C(%3DO)C3%3DC(O)C%3DCC(O)%3DC3C(%3DO)C2%3DC(NCC%5BN%2B%5D(%5BH%5D)(%5BH%5D)CCO)C%3DC1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BN%2B%5D(%5BH%5D)(CCO)CCNC1%3DC2C(%3DO)C3%3DC(O)C%3DCC(O)%3DC3C(%3DO)C2%3DC(NCC%5BN%2B%5D(%5BH%5D)(%5BH%5D)CCO)C%3DC1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB01204,https://go.drugbank.com/drugs/DB01204,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],[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,Not Found,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BN%2B%5D(%5BH%5D)(%5BH%5D)CC1%3DCC%5BC%40H%5D(%5BC%40%40H%5D(O%5BC%40H%5D2%5BC%40H%5D(O)%5BC%40%40H%5D(O%5BC%40H%5D3OC%5BC%40%5D(C)(O)%5BC%40%40H%5D(%5BC%40H%5D3O)%5BN%2B%5D(%5BH%5D)(%5BH%5D)C)%5BC%40%40H%5D(C%5BC%40%40H%5D2%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)%5BN%2B%5D(%5BH%5D)(%5BH%5D)CC)O1)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BN%2B%5D(%5BH%5D)(%5BH%5D)CC1%3DCC%5BC%40H%5D(%5BC%40%40H%5D(O%5BC%40H%5D2%5BC%40H%5D(O)%5BC%40%40H%5D(O%5BC%40H%5D3OC%5BC%40%5D(C)(O)%5BC%40%40H%5D(%5BC%40H%5D3O)%5BN%2B%5D(%5BH%5D)(%5BH%5D)C)%5BC%40%40H%5D(C%5BC%40%40H%5D2%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D)%5BN%2B%5D(%5BH%5D)(%5BH%5D)CC)O1)%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BH%5D%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB00955,https://go.drugbank.com/drugs/DB00955,This is the isomeric form of the drug approved by USFDA.
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,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,Not Found,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22COC1%3DC2C(%3DO)C3%3DC(O)C4%3DC(C%5BC%40%5D(O)(C%5BC%40%40H%5D4OC4C%5BC%40%40H%5D(N)%5BC%40%40H%5D(O)%5BC%40%40H%5D(C)O4)C(C)%3DO)C(O)%3DC3C(%3DO)C2%3DCC%3DC1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22COC1%3DC2C(%3DO)C3%3DC(O)C4%3DC(C%5BC%40%5D(O)(C%5BC%40%40H%5D4OC4C%5BC%40%40H%5D(N)%5BC%40%40H%5D(O)%5BC%40%40H%5D(C)O4)C(C)%3DO)C(O)%3DC3C(%3DO)C2%3DCC%3DC1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB00445,https://go.drugbank.com/drugs/DB00445,This is the isomeric form of the drug approved by USFDA.
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,NC1=NC2=C(N(C=O)C(CNC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)CN2)C(=O)N1,"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,https://pubchem.ncbi.nlm.nih.gov/compound/135402009,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Nc1nc2c(c(%3DO)%5BnH%5D1)N(C%3DO)C(CNc1ccc(C(%3DO)NC(CCC(%3DO)O)C(%3DO)O)cc1)CN2%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Nc1nc2c(c(%3DO)%5BnH%5D1)N(C%3DO)C(CNc1ccc(C(%3DO)NC(CCC(%3DO)O)C(%3DO)O)cc1)CN2%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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,NC1=NC(=S)C2=C(N1)N=CN2,"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, Wöhnert 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,https://pubchem.ncbi.nlm.nih.gov/compound/2723601,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Nc1nc(%3DS)c2%5BnH%5Dcnc2%5BnH%5D1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Nc1nc(%3DS)c2%5BnH%5Dcnc2%5BnH%5D1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB00352,https://go.drugbank.com/drugs/DB00352,
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,CC1=C(C)C=C2N(CC(O)C(O)C(O)CO)C3=NC(=O)NC(=O)C3=NC2=C1,"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,https://pubchem.ncbi.nlm.nih.gov/compound/1072,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Cc1cc2nc3c(%3DO)%5BnH%5Dc(%3DO)nc-3n(CC(O)C(O)C(O)CO)c2cc1C%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Cc1cc2nc3c(%3DO)%5BnH%5Dc(%3DO)nc-3n(CC(O)C(O)C(O)CO)c2cc1C%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational Nutraceutical Vet_approved,DB00140,https://go.drugbank.com/drugs/DB00140,
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-],[Cl-].CC1=C(CCOP(O)(=O)OP(O)(O)=O)SC=[N+]1CC1=CN=C(C)N=C1N,"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,https://pubchem.ncbi.nlm.nih.gov/compound/9068,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Cc1ncc(C%5Bn%2B%5D2csc(CCOP(%3DO)(O)OP(%3DO)(O)O)c2C)c(N)n1.%5BCl-%5D%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Cc1ncc(C%5Bn%2B%5D2csc(CCOP(%3DO)(O)OP(%3DO)(O)O)c2C)c(N)n1.%5BCl-%5D%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Experimental,DB01987,https://go.drugbank.com/drugs/DB01987,This is the isomeric form of the drug approved by USFDA.
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,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,https://pubchem.ncbi.nlm.nih.gov/compound/4212,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22OCCNCCNC1%3DCC%3DC(NCCNCCO)C2%3DC1C(%3DO)C1%3DC(O)C%3DCC(O)%3DC1C2%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22OCCNCCNC1%3DCC%3DC(NCCNCCO)C2%3DC1C(%3DO)C1%3DC(O)C%3DCC(O)%3DC1C2%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB01204,https://go.drugbank.com/drugs/DB01204,
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,COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(CC3OC3CC(N)C(O)C(C)O3)C(C)=O)C(O)=C1C2=O,"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,https://pubchem.ncbi.nlm.nih.gov/compound/2958,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22COc1cccc2c1C(%3DO)c1c(O)c3c(c(O)c1C2%3DO)CC(O)(C(C)%3DO)CC3OC1CC(N)C(O)C(C)O1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22COc1cccc2c1C(%3DO)c1c(O)c3c(c(O)c1C2%3DO)CC(O)(C(C)%3DO)CC3OC1CC(N)C(O)C(C)O1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB00694,https://go.drugbank.com/drugs/DB00694,
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,CC1OC(CC(O)C1O)OC1C(O)CC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4CC(O)C4(C)C(CCC54O)C4=CC(=O)OC4)C3)OC2C)OC1C,"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,https://pubchem.ncbi.nlm.nih.gov/compound/3062,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7%3DCC(%3DO)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7%3DCC(%3DO)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB00390,https://go.drugbank.com/drugs/DB00390,
DBoRL1558,Codeine,"10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0?,¹?.0?,¹?]octadeca-7,9,11(18),15-tetraen-14-ol",COc1ccc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341,COC1=CC=C2CC3C4C=CC(O)C5OC1=C2C45CCN3C,"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,https://pubchem.ncbi.nlm.nih.gov/compound/2828,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22COc1ccc2c3c1OC1C(O)C%3DCC4C(C2)N(C)CCC341%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22COc1ccc2c3c1OC1C(O)C%3DCC4C(C2)N(C)CCC341%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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,CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)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,https://pubchem.ncbi.nlm.nih.gov/compound/4605,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6%3DCC(%3DO)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6%3DCC(%3DO)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB01092,https://go.drugbank.com/drugs/DB01092,
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,[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,Not Found,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BC%40%40H%5D1C%5BC%40%40H%5D(O%5BC%40H%5D2C%5BC%40%40%5D(O)(CC3%3DC2C(O)%3DC2C(%3DO)C4%3DC(OC)C%3DCC%3DC4C(%3DO)C2%3DC3O)C(C)%3DO)O%5BC%40H%5D(C)%5BC%40%40H%5D1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BN%2B%5D(%5BH%5D)(%5BH%5D)%5BC%40%40H%5D1C%5BC%40%40H%5D(O%5BC%40H%5D2C%5BC%40%40%5D(O)(CC3%3DC2C(O)%3DC2C(%3DO)C4%3DC(OC)C%3DCC%3DC4C(%3DO)C2%3DC3O)C(C)%3DO)O%5BC%40H%5D(C)%5BC%40%40H%5D1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB00694,https://go.drugbank.com/drugs/DB00694,This is the isomeric form of the drug approved by USFDA.
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,CC1C(O)CCC2(C)C1CCC1(C)C2C(O)CC2C(C(CC12C)OC(C)=O)=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,https://pubchem.ncbi.nlm.nih.gov/compound/3443,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC(%3DO)OC1CC2(C)C(CC(O)C3C4(C)CCC(O)C(C)C4CCC32C)C1%3DC(CCC%3DC(C)C)C(%3DO)O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC(%3DO)OC1CC2(C)C(CC(O)C3C4(C)CCC(O)C(C)C4CCC32C)C1%3DC(CCC%3DC(C)C)C(%3DO)O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB02703,https://go.drugbank.com/drugs/DB02703,
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,NC1=NC2=C(C(CCC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)=CN2)C(=O)N1,"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,https://pubchem.ncbi.nlm.nih.gov/compound/135469568,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Nc1nc2%5BnH%5Dcc(CCc3ccc(C(%3DO)NC(CCC(%3DO)O)C(%3DO)O)cc3)c2c(%3DO)%5BnH%5D1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Nc1nc2%5BnH%5Dcc(CCc3ccc(C(%3DO)NC(CCC(%3DO)O)C(%3DO)O)cc3)c2c(%3DO)%5BnH%5D1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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,CC(O)C(O)C1CNC2=C(N1)C(=O)NC(N)=N2,"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,https://pubchem.ncbi.nlm.nih.gov/compound/135402045,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC(O)C(O)C1CNc2nc(N)%5BnH%5Dc(%3DO)c2N1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC(O)C(O)C1CNc2nc(N)%5BnH%5Dc(%3DO)c2N1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB00360,https://go.drugbank.com/drugs/DB00360,
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,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,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, Ferré-D'Amaré 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,https://pubchem.ncbi.nlm.nih.gov/compound/1130,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Cc1ncc(C%5Bn%2B%5D2csc(CCO)c2C)c(N)n1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Cc1ncc(C%5Bn%2B%5D2csc(CCO)c2C)c(N)n1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational Nutraceutical Vet_approved,DB00152,https://go.drugbank.com/drugs/DB00152,
DBoRL1701,Clomifene,"{2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]ethyl}diethylamine",CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1,CCN(CC)CCOC1=CC=C(C=C1)C(=C(Cl)C1=CC=CC=C1)C1=CC=CC=C1,"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,https://pubchem.ncbi.nlm.nih.gov/compound/2800,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CCN(CC)CCOc1ccc(C(%3DC(Cl)c2ccccc2)c2ccccc2)cc1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CCN(CC)CCOc1ccc(C(%3DC(Cl)c2ccccc2)c2ccccc2)cc1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB00882,https://go.drugbank.com/drugs/DB00882,
DBoRL1702,Cyproheptadine,"1-methyl-4-{tricyclo[9.4.0.0³,?]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ylidene}piperidine",CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,CN1CCC(CC1)=C1C2=CC=CC=C2C=CC2=CC=CC=C12,"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,https://pubchem.ncbi.nlm.nih.gov/compound/2913,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN1CCC(%3DC2c3ccccc3C%3DCc3ccccc32)CC1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN1CCC(%3DC2c3ccccc3C%3DCc3ccccc32)CC1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB00434,https://go.drugbank.com/drugs/DB00434,
DBoRL1715,Homoharringtonine,"4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,?.0?,¹?.0¹?,¹?]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,COC(=O)CC(O)(CCCC(C)(C)O)C(=O)OC1C2C3=CC4=C(OCO4)C=C3CCN3CCCC23C=C1OC,"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,https://pubchem.ncbi.nlm.nih.gov/compound/3628,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22COC(%3DO)CC(O)(CCCC(C)(C)O)C(%3DO)OC1C(OC)%3DCC23CCCN2CCc2cc4c(cc2C13)OCO4%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22COC(%3DO)CC(O)(CCCC(C)(C)O)C(%3DO)OC1C(OC)%3DCC23CCCN2CCc2cc4c(cc2C13)OCO4%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB04865,https://go.drugbank.com/drugs/DB04865,
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,COC1=CC2=NC(=NC(N)=C2C=C1OC)N1CCN(CC1)C(=O)C1=CC=CO1,"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,https://pubchem.ncbi.nlm.nih.gov/compound/4893,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22COc1cc2nc(N3CCN(C(%3DO)c4ccco4)CC3)nc(N)c2cc1OC%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22COc1cc2nc(N3CCN(C(%3DO)c4ccco4)CC3)nc(N)c2cc1OC%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB00457,https://go.drugbank.com/drugs/DB00457,
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,NC(CC1=CNC2=CC=C(O)C=C12)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,https://pubchem.ncbi.nlm.nih.gov/compound/144,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC(Cc1c%5BnH%5Dc2ccc(O)cc12)C(%3DO)O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC(Cc1c%5BnH%5Dc2ccc(O)cc12)C(%3DO)O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational Nutraceutical,DB02959,https://go.drugbank.com/drugs/DB02959,
DBoRL1777,Guanidinium,(diaminomethylidene)azanium,NC(N)=[NH2+],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,https://pubchem.ncbi.nlm.nih.gov/compound/32838,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC(N)%3D%5BNH2%2B%5D%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC(N)%3D%5BNH2%2B%5D%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB00536,https://go.drugbank.com/drugs/DB00536,This is the isomeric form of the drug approved by USFDA.
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,CCCC1CC(N(C)C1)C(=O)NC(C(C)O)C1OC(SC)C(O)C(O)C1O,"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,https://pubchem.ncbi.nlm.nih.gov/compound/3928,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CCCC1CC(C(%3DO)NC(C(C)O)C2OC(SC)C(O)C(O)C2O)N(C)C1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CCCC1CC(C(%3DO)NC(C(C)O)C2OC(SC)C(O)C(O)C2O)N(C)C1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Vet_approved,DB01627,https://go.drugbank.com/drugs/DB01627,
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,CN(C)C1C2CC3C(=C(O)C4=C(O)C=CC(Cl)=C4C3(C)O)C(=O)C2(O)C(O)=C(C(N)=O)C1=O,"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,https://pubchem.ncbi.nlm.nih.gov/compound/54677440,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN(C)C1C(%3DO)C(C(N)%3DO)%3DC(O)C2(O)C(%3DO)C3%3DC(O)c4c(O)ccc(Cl)c4C(C)(O)C3CC12%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN(C)C1C(%3DO)C(C(N)%3DO)%3DC(O)C2(O)C(%3DO)C3%3DC(O)c4c(O)ccc(Cl)c4C(C)(O)C3CC12%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational Vet_approved,DB09093,https://go.drugbank.com/drugs/DB09093,This is the isomeric form of the drug approved by USFDA.
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,OC1C(O)C(OP(O)(=O)OP(O)(O)=O)OC1COP(O)(O)=O,"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,https://pubchem.ncbi.nlm.nih.gov/compound/1041,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22O%3DP(O)(O)OCC1OC(OP(%3DO)(O)OP(%3DO)(O)O)C(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22O%3DP(O)(O)OCC1OC(OP(%3DO)(O)OP(%3DO)(O)O)C(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Experimental Investigational,DB01632,https://go.drugbank.com/drugs/DB01632,
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,NC(=O)C1=CN(C=CC1)C1OC(COP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)N2C=NC3=C(N)N=CN=C23)C(O)C1O,"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,https://pubchem.ncbi.nlm.nih.gov/compound/928,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC(%3DO)C1%3DCN(C2OC(COP(%3DO)(O)OP(%3DO)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C%3DCC1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC(%3DO)C1%3DCN(C2OC(COP(%3DO)(O)OP(%3DO)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C%3DCC1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Nutraceutical,DB00157,https://go.drugbank.com/drugs/DB00157,
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,CN1N=NC(=N1)C1=CC=C(C=N1)C1=CC=C(C=C1F)N1CC(CO)OC1=O,"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,https://pubchem.ncbi.nlm.nih.gov/compound/11653580,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Cn1nnc(-c2ccc(-c3ccc(N4CC(CO)OC4%3DO)cc3F)cn2)n1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Cn1nnc(-c2ccc(-c3ccc(N4CC(CO)OC4%3DO)cc3F)cn2)n1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB14569,https://go.drugbank.com/drugs/DB14569,
DBoRL1863,Adenosine,"2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O,NC1=C2N=CN(C3OC(CO)C(O)C3O)C2=NC=N1,"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,https://pubchem.ncbi.nlm.nih.gov/compound/191,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB00640,https://go.drugbank.com/drugs/DB00640,
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,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,https://pubchem.ncbi.nlm.nih.gov/compound/3467,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CNC(C)C1CCC(N)C(OC2C(N)CC(N)C(OC3OCC(C)(O)C(NC)C3O)C2O)O1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CNC(C)C1CCC(N)C(OC2C(N)CC(N)C(OC3OCC(C)(O)C(NC)C3O)C2O)O1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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,CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CCC3N)C(C)N)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,https://pubchem.ncbi.nlm.nih.gov/compound/588785,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(C(C)N)CCC3N)C2O)OCC1(C)O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(C(C)N)CCC3N)C2O)OCC1(C)O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Vet_approved,DB00798,https://go.drugbank.com/drugs/DB00798,
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,CN(C)C1C2CC3C(O)C4=C(Cl)C=CC(O)=C4C(O)=C3C(=O)C2(O)C(O)=C(C(N)=O)C1=O,"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,https://pubchem.ncbi.nlm.nih.gov/compound/54680103,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN(C)C1C(%3DO)C(C(N)%3DO)%3DC(O)C2(O)C(%3DO)C3%3DC(O)c4c(O)ccc(Cl)c4C(O)C3CC12%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN(C)C1C(%3DO)C(C(N)%3DO)%3DC(O)C2(O)C(%3DO)C3%3DC(O)c4c(O)ccc(Cl)c4C(O)C3CC12%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB00618,https://go.drugbank.com/drugs/DB00618,This is the isomeric form of the drug approved by USFDA.
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,CN(C)C1C2C(O)C3C(=C)C4=CC=CC(O)=C4C(O)=C3C(=O)C2(O)C(O)=C(C(N)=O)C1=O,"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,https://pubchem.ncbi.nlm.nih.gov/compound/54676011,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22C%3DC1c2cccc(O)c2C(O)%3DC2C(%3DO)C3(O)C(O)%3DC(C(N)%3DO)C(%3DO)C(N(C)C)C3C(O)C12%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22C%3DC1c2cccc(O)c2C(O)%3DC2C(%3DO)C3(O)C(O)%3DC(C(N)%3DO)C(%3DO)C(N(C)C)C3C(O)C12%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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,CN(C)C1C2C(O)C3C(=C(O)C4=C(O)C=CC=C4C3(C)O)C(=O)C2(O)C(O)=C(C(N)=O)C1=O,"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,https://pubchem.ncbi.nlm.nih.gov/compound/54686003,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN(C)C1C(%3DO)C(C(N)%3DO)%3DC(O)C2(O)C(%3DO)C3%3DC(O)c4c(O)cccc4C(C)(O)C3C(O)C12%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN(C)C1C(%3DO)C(C(N)%3DO)%3DC(O)C2(O)C(%3DO)C3%3DC(O)c4c(O)cccc4C(C)(O)C3C(O)C12%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational Vet_approved,DB00595,https://go.drugbank.com/drugs/DB00595,This is the isomeric form of the drug approved by USFDA.
DBoRL2101,Berberine,"16,17-dimethoxy-5,7-dioxa-13??-azapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,²?]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,COC1=C(OC)C2=C[N+]3=C(C=C2C=C1)C1=CC2=C(OCO2)C=C1CC3,"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,https://pubchem.ncbi.nlm.nih.gov/compound/2353,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22COc1ccc2cc3%5Bn%2B%5D(cc2c1OC)CCc1cc2c(cc1-3)OCO2%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22COc1ccc2cc3%5Bn%2B%5D(cc2c1OC)CCc1cc2c(cc1-3)OCO2%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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,CN(C)C1=CC=C2N=C3C=CC(C=C3SC2=C1)=[N+](C)C,"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,https://pubchem.ncbi.nlm.nih.gov/compound/4139,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN(C)c1ccc2nc3ccc(%3D%5BN%2B%5D(C)C)cc-3sc2c1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN(C)c1ccc2nc3ccc(%3D%5BN%2B%5D(C)C)cc-3sc2c1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB09241,https://go.drugbank.com/drugs/DB09241,This is the isomeric form of the drug approved by USFDA.
DBoRL2154,opiµM alkaloid codeine (3-methylmorphine),"(5R,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0?,¹?.0?,¹?]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,[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,https://pubchem.ncbi.nlm.nih.gov/compound/12303747,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BC%40%40%5D12OC3%3DC(OC)C%3DCC4%3DC3C11CCN(C)%5BC%40H%5D(C4)%5BC%40%5D1(%5BH%5D)C%3DC%5BC%40%40H%5D2O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BC%40%40%5D12OC3%3DC(OC)C%3DCC4%3DC3C11CCN(C)%5BC%40H%5D(C4)%5BC%40%5D1(%5BH%5D)C%3DC%5BC%40%40H%5D2O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Illicit,DB00318,https://go.drugbank.com/drugs/DB00318,
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,[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,https://pubchem.ncbi.nlm.nih.gov/compound/5997,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BC%40%40%5D1(CC%5BC%40%40%5D2(%5BH%5D)%5BC%40%5D3(%5BH%5D)CC%3DC4C%5BC%40%40%5D(%5BH%5D)(O)CC%5BC%40%5D4(C)%5BC%40%40%5D3(%5BH%5D)CC%5BC%40%5D12C)%5BC%40H%5D(C)CCCC(C)C%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BC%40%40%5D1(CC%5BC%40%40%5D2(%5BH%5D)%5BC%40%5D3(%5BH%5D)CC%3DC4C%5BC%40%40%5D(%5BH%5D)(O)CC%5BC%40%5D4(C)%5BC%40%40%5D3(%5BH%5D)CC%5BC%40%5D12C)%5BC%40H%5D(C)CCCC(C)C%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB04540,https://go.drugbank.com/drugs/DB04540,
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,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,https://pubchem.ncbi.nlm.nih.gov/compound/2826,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22COC(%3DO)C1C2CCC(CC1OC(%3DO)C1%3DCC%3DCC%3DC1)N2C%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22COC(%3DO)C1C2CCC(CC1OC(%3DO)C1%3DCC%3DCC%3DC1)N2C%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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,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,https://pubchem.ncbi.nlm.nih.gov/compound/3676,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CCN(CC)CC(%3DO)NC1%3DC(C)C%3DCC%3DC1C%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CCN(CC)CC(%3DO)NC1%3DC(C)C%3DCC%3DC1C%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Vet_approved,DB00281,https://go.drugbank.com/drugs/DB00281,
DBoRL2170,Bromhexine,"N-[(3,5-dibromo-2-methylphenyl)methyl]-N-methylcyclohexanamine",CN(CC1=CC(Br)=CC(Br)=C1C)C1CCCCC1,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,Not Found,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN(CC1%3DCC(Br)%3DCC(Br)%3DC1C)C1CCCCC1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN(CC1%3DCC(Br)%3DCC(Br)%3DC1C)C1CCCCC1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB09019,https://go.drugbank.com/drugs/DB09019,This is the isomeric form of the drug approved by USFDA.
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,[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,https://pubchem.ncbi.nlm.nih.gov/compound/134845380,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BC%40%5D(O)(C1CC2CC%5BN%2B%5D1(%5BH%5D)CC2C%3DC)C1%3DCC%3DNC2%3DCC%3DC(OC)C%3DC12%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BC%40%5D(O)(C1CC2CC%5BN%2B%5D1(%5BH%5D)CC2C%3DC)C1%3DCC%3DNC2%3DCC%3DC(OC)C%3DC12%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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,[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,https://pubchem.ncbi.nlm.nih.gov/compound/3518588,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BN%2B%5D1(C)C2CCC1C(C(C2)OC(%3DO)C1%3DCC%3DCC%3DC1)C(%3DO)OC%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5D%5BN%2B%5D1(C)C2CCC1C(C(C2)OC(%3DO)C1%3DCC%3DCC%3DC1)C(%3DO)OC%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Illicit,DB00907,https://go.drugbank.com/drugs/DB00907,
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,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,https://pubchem.ncbi.nlm.nih.gov/compound/3468,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN(C)C1%3DCC%3DC(C%3DC1)C(C1%3DCC%3DC(C%3DC1)N(C)C)%3DC1C%3DCC(C%3DC1)%3D%5BN%2B%5D(C)C%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CN(C)C1%3DCC%3DC(C%3DC1)C(C1%3DCC%3DC(C%3DC1)N(C)C)%3DC1C%3DCC(C%3DC1)%3D%5BN%2B%5D(C)C%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB00406,https://go.drugbank.com/drugs/DB00406,
DBoRL2195,Codeine,"10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0?,¹?.0?,¹?]octadeca-7(18),8,10,15-tetraen-14-ol",COC1=C2OC3C(O)C=CC4C5CC(C=C1)=C2C34CCN5C,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,https://pubchem.ncbi.nlm.nih.gov/compound/2828,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22COC1%3DC2OC3C(O)C%3DCC4C5CC(C%3DC1)%3DC2C34CCN5C%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22COC1%3DC2OC3C(O)C%3DCC4C5CC(C%3DC1)%3DC2C34CCN5C%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Illicit,DB00318,https://go.drugbank.com/drugs/DB00318,
DBoRL2216,Lysine,"(2S)-2,6-diaminohexanoic acid",NCCCC[C@H](N)C(O)=O,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,https://pubchem.ncbi.nlm.nih.gov/compound/5962,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCCCC%5BC%40H%5D(N)C(O)%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCCCC%5BC%40H%5D(N)C(O)%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Nutraceutical,DB00123,https://go.drugbank.com/drugs/DB00123,
DBoRL2217,Glycine,2-aminoacetic acid,NCC(O)=O,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,https://pubchem.ncbi.nlm.nih.gov/compound/750,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCC(O)%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCC(O)%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Nutraceutical Vet_approved,DB00145,https://go.drugbank.com/drugs/DB00145,
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,[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,https://pubchem.ncbi.nlm.nih.gov/compound/303,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5DC1(CCC2(%5BH%5D)C3(%5BH%5D)C(O)CC4(%5BH%5D)CC(O)CCC4(C)C3(%5BH%5D)CC(O)C12C)C(C)CCC(O)%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5DC1(CCC2(%5BH%5D)C3(%5BH%5D)C(O)CC4(%5BH%5D)CC(O)CCC4(C)C3(%5BH%5D)CC(O)C12C)C(C)CCC(O)%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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,[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,https://pubchem.ncbi.nlm.nih.gov/compound/5645,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5DC12CCC(C(C)CCC(O)%3DO)C1(C)CCC1(%5BH%5D)C2(%5BH%5D)C(O)CC2(%5BH%5D)CC(O)CCC12C%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5DC12CCC(C(C)CCC(O)%3DO)C1(C)CCC1(%5BH%5D)C2(%5BH%5D)C(O)CC2(%5BH%5D)CC(O)CCC12C%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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,[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,https://pubchem.ncbi.nlm.nih.gov/compound/4454,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5DNC1C(O)C(O)C(CN)OC1OC1C(CO)OC(OC2C(O)C(N)CC(N)C2OC2OC(CN)C(O)C(O)C2N)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5DNC1C(O)C(O)C(CN)OC1OC1C(CO)OC(OC2C(O)C(N)CC(N)C2OC2OC(CN)C(O)C(O)C2N)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB00452,https://go.drugbank.com/drugs/DB00452,
DBoRL2260,Adenine,9H-purin-6-amine,NC1=NC=NC2=C1N=CN2,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,https://pubchem.ncbi.nlm.nih.gov/compound/190,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC1%3DNC%3DNC2%3DC1N%3DCN2%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC1%3DNC%3DNC2%3DC1N%3DCN2%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Nutraceutical,DB00173,https://go.drugbank.com/drugs/DB00173,
DBoRL2284,L-Lysine,"2,6-diaminohexanoic acid",NCCCCC(N)C(O)=O,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,https://pubchem.ncbi.nlm.nih.gov/compound/866,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCCCCC(N)C(O)%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCCCCC(N)C(O)%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Nutraceutical,DB00123,https://go.drugbank.com/drugs/DB00123,
DBoRL2363,Glutamine,(2S)-2-amino-4-carbamoylbutanoic acid,N[C@@H](CCC(N)=O)C(O)=O,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,https://pubchem.ncbi.nlm.nih.gov/compound/5961,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22N%5BC%40%40H%5D(CCC(N)%3DO)C(O)%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22N%5BC%40%40H%5D(CCC(N)%3DO)C(O)%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational Nutraceutical,DB00130,https://go.drugbank.com/drugs/DB00130,
DBoRL2368,L- Tyrosine,2-amino-3-(4-hydroxyphenyl)propanoic acid,NC(CC1=CC=C(O)C=C1)C(O)=O,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,https://pubchem.ncbi.nlm.nih.gov/compound/1153,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC(CC1%3DCC%3DC(O)C%3DC1)C(O)%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC(CC1%3DCC%3DC(O)C%3DC1)C(O)%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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,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,https://pubchem.ncbi.nlm.nih.gov/compound/1148,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC(CC1%3DCNC2%3DCC%3DCC%3DC12)C(O)%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC(CC1%3DCNC2%3DCC%3DCC%3DC12)C(O)%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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,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,https://pubchem.ncbi.nlm.nih.gov/compound/836,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC(CC1%3DCC(O)%3DC(O)C%3DC1)C(O)%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC(CC1%3DCC(O)%3DC(O)C%3DC1)C(O)%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB01235,https://go.drugbank.com/drugs/DB01235,
DBoRL2380,L- Phenylalanine,2-amino-3-phenylpropanoic acid,NC(CC1=CC=CC=C1)C(O)=O,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,https://pubchem.ncbi.nlm.nih.gov/compound/994,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC(CC1%3DCC%3DCC%3DC1)C(O)%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC(CC1%3DCC%3DCC%3DC1)C(O)%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,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,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,https://pubchem.ncbi.nlm.nih.gov/compound/681,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCCC1%3DCC(O)%3DC(O)C%3DC1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NCCC1%3DCC(O)%3DC(O)C%3DC1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB00988,https://go.drugbank.com/drugs/DB00988,
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,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,https://pubchem.ncbi.nlm.nih.gov/compound/3255,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CCC1OC(%3DO)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(%3DO)C(C)C(O)C1(C)O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CCC1OC(%3DO)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(%3DO)C(C)C(O)C1(C)O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational Vet_approved,DB00199,https://go.drugbank.com/drugs/DB00199,
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,[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,https://pubchem.ncbi.nlm.nih.gov/compound/5496,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5DC1C(N)C(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)OC(CN)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5DC1C(N)C(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)OC(CN)C1O%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB00684,https://go.drugbank.com/drugs/DB00684,
DBoRL2447,Adenine,9H-purin-6-amine,[H]C1=NC2=C(N=CN2)C(N)=N1,[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,https://pubchem.ncbi.nlm.nih.gov/compound/190,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5DC1%3DNC2%3DC(N%3DCN2)C(N)%3DN1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5DC1%3DNC2%3DC(N%3DCN2)C(N)%3DN1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Nutraceutical,DB00173,https://go.drugbank.com/drugs/DB00173,
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,[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,https://pubchem.ncbi.nlm.nih.gov/compound/3021,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5DC1C(%5BH%5D)C(CN)OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C1N%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22%5BH%5DC1C(%5BH%5D)C(CN)OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C1N%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB13270,https://go.drugbank.com/drugs/DB13270,
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,CC1=CC(N)=C2C=CC=CC2=[N+]1CCCCCCCCCC[N+]1=C2C=CC=CC2=C(N)C=C1C,"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,https://pubchem.ncbi.nlm.nih.gov/compound/2993,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC1%3DCC(N)%3DC(C%3DCC%3DC2)C2%3D%5BN%2B%5D1CCCCCCCCCC%5BN%2B%5D3%3DC(C%3DCC%3DC4)C4%3DC(N)C%3DC3C%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22CC1%3DCC(N)%3DC(C%3DCC%3DC2)C2%3D%5BN%2B%5D1CCCCCCCCCC%5BN%2B%5D3%3DC(C%3DCC%3DC4)C4%3DC(N)C%3DC3C%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB04209,https://go.drugbank.com/drugs/DB04209,
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,NC(=N)C1=CC=C(OCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1,"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,https://pubchem.ncbi.nlm.nih.gov/compound/4735,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC(C1%3DCC%3DC(C%3DC1)OCCCCCOC2%3DCC%3DC(C%3DC2)C(N)%3DN)%3DN%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22NC(C1%3DCC%3DC(C%3DC1)OCCCCCOC2%3DCC%3DC(C%3DC2)C(N)%3DN)%3DN%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB00738,https://go.drugbank.com/drugs/DB00738,
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,CN(C)C1=CC=C2C(C=CC(\C=C\C3=C(C)N(C(C)=C3)C3=CC=CC=C3)=[N+]2C)=C1,"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,https://pubchem.ncbi.nlm.nih.gov/compound/22526,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22C%5BN%2B%5D1%3DC(/C%3DC/C2%3DC(C)N(C3%3DCC%3DCC%3DC3)C(C)%3DC2)C%3DCC4%3DCC(N(C)C)%3DCC%3DC41%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22C%5BN%2B%5D1%3DC(/C%3DC/C2%3DC(C)N(C3%3DCC%3DCC%3DC3)C(C)%3DC2)C%3DCC4%3DCC(N(C)C)%3DCC%3DC41%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB06816,https://go.drugbank.com/drugs/DB06816,
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,CCN(CC)CCOC1=CC=C(C=C1)C(=C(\Cl)C1=CC=CC=C1)\C1=CC=CC=C1,"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, Beltrán M, Coiras M, Bedoya LM, Alcamí 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,https://pubchem.ncbi.nlm.nih.gov/compound/1548953,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Cl/C(C1%3DCC%3DCC%3DC1)%3DC(C2%3DCC%3DCC%3DC2)/C3%3DCC%3DC(OCCN(CC)CC)C%3DC3%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22Cl/C(C1%3DCC%3DCC%3DC1)%3DC(C2%3DCC%3DCC%3DC2)/C3%3DCC%3DC(OCCN(CC)CC)C%3DC3%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB00882,https://go.drugbank.com/drugs/DB00882,
DBoRL2570,Prochlorperazine,2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine,ClC(C=C1)=CC2=C1SC3=CC=CC=C3N2CCCN4CCN(C)CC4,CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)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 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,https://pubchem.ncbi.nlm.nih.gov/compound/4917,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22ClC(C%3DC1)%3DCC2%3DC1SC3%3DCC%3DCC%3DC3N2CCCN4CCN(C)CC4%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22ClC(C%3DC1)%3DCC2%3DC1SC3%3DCC%3DCC%3DC3N2CCCN4CCN(C)CC4%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Vet_approved,DB00433,https://go.drugbank.com/drugs/DB00433,
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,CC1=CN2N=C(C=C(C)C2=N1)C1=CC(=O)N2C=C(C=CC2=N1)N1CCNC2(CC2)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,https://pubchem.ncbi.nlm.nih.gov/compound/118513932,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22O%3DC1N2C%3DC(N3CC4(CC4)NCC3)C%3DCC2%3DNC(C5%3DNN6C(C(C)%3DC5)%3DNC(C)%3DC6)%3DC1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22O%3DC1N2C%3DC(N3CC4(CC4)NCC3)C%3DCC2%3DNC(C5%3DNN6C(C(C)%3DC5)%3DNC(C)%3DC6)%3DC1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB15305,https://go.drugbank.com/drugs/DB15305,
DBoRL2609,Topotecan,"(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0?,?.0¹?,²?]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,CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=C(C=CC(O)=C4CN(C)C)N=C13)C2=O,"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,https://pubchem.ncbi.nlm.nih.gov/compound/60700,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22OC1%3DC(CN(C)C)C2%3DC(N%3DC(C(N3C4)%3DCC(%5BC%40%40%5D(O)(CC)C(OC5)%3DO)%3DC5C3%3DO)C4%3DC2)C%3DC1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22OC1%3DC(CN(C)C)C2%3DC(N%3DC(C(N3C4)%3DCC(%5BC%40%40%5D(O)(CC)C(OC5)%3DO)%3DC5C3%3DO)C4%3DC2)C%3DC1%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,Investigational,DB01030,https://go.drugbank.com/drugs/DB01030,
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,COC1=C2C(=O)C3=C(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/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,https://pubchem.ncbi.nlm.nih.gov/compound/30323,https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A99999999%7D%7D%2C%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22O%3DC1C2%3DC(C(O)%3DC(%5BC%40%40H%5D(O%5BC%40H%5D3C%5BC%40H%5D(N)%5BC%40H%5D(O)%5BC%40H%5D(C)O3)C%5BC%40%40%5D(C(C)%3DO)(O)C4)C4%3DC2O)C(C5%3DC(OC)C%3DCC%3DC51)%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D,https://www.rcsb.org/search?request=%7B%22query%22%3A%7B%22type%22%3A%22group%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22chemical%22%2C%22parameters%22%3A%7B%22value%22%3A%22O%3DC1C2%3DC(C(O)%3DC(%5BC%40%40H%5D(O%5BC%40H%5D3C%5BC%40H%5D(N)%5BC%40H%5D(O)%5BC%40H%5D(C)O3)C%5BC%40%40%5D(C(C)%3DO)(O)C4)C4%3DC2O)C(C5%3DC(OC)C%3DCC%3DC51)%3DO%22%2C%22type%22%3A%22descriptor%22%2C%22descriptor_type%22%3A%22SMILES%22%2C%22match_type%22%3A%22graph-exact%22%7D%7D%5D%7D%2C%22return_type%22%3A%22entry%22%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22start%22%3A0%2C%22rows%22%3A25%7D%2C%22scoring_strategy%22%3A%22combined%22%2C%22sort%22%3A%5B%7B%22sort_by%22%3A%22score%22%2C%22direction%22%3A%22desc%22%7D%5D%7D%2C%22request_info%22%3A%7B%22query_id%22%3A%2214c10ef0fd886d00e0ca93b244b096a5%22%7D%7D,Yes,Yes,,DB00694,https://go.drugbank.com/drugs/DB00694,