DBoRL Help & Tutorial

1. Use DBoRL Text Search Facility

This is a generelized search facility. This search facility is case insensitive. Here one can search with followings.

1. DBoRL ID (e.g., DBoRL2661)

2. Ligand / Compound Name (e.g., Neomycin)

3. Molecular Formula (e.g., C2H5N3O2)

4. IUPAC Name (e.g., 6-{[4,6-diamino-3-({3-amino-6-[1-(methylamino)ethyl]oxan-2-yl}oxy)-2-hydroxycyclohexyl]oxy}-5-[(hydroxyphospho)oxy]-3-methyl-4-(methylamino)oxan-3-ol)

5. SMILES (e.g., CNC(C)C1CCC(N)C(OC2C(N)CC(N)C(OC3OCC(C)(O)C(NC)C3O[PH](=O)(=O)O)C2O)O1)

6. InChI (e.g., InChI=1S/C2H5N3O2/c3-1(4)5-2(6)7/h(H,6,7)(H4,3,4,5))

7. InChI Key (e.g., DOLXKRGCDYCTQR-UHFFFAOYSA-O)

8. CAS ID (e.g., 69467-90-9)

9. Ligand Target (e.g., yeast t RNA)

10. Reference ID (i.e., PubMed ID [e.g., 1373618] or Patent ID [e.g., US20110166334])

11. DrugBank ID (e.g., DB00452)

12. PubChem ID (e.g., 4454)

13. PDB ID (e.g., 1EI2)

14. NDB ID (e.g., DR0014)

2. Use DBoRL Advanced Search Facility

This is a generelized search facility. This search facility is case insensitive. Click on 'Add Field' to add a search field. In case of 'Range Attributes' integer and float values are expected in search fields. An image of a build search query attached below.

2. Use DBoRL Structure Search Facility

DBoRL Structure Search Facility

This is the structure search facility of DBoRL (POWERED BY JSME & RDKit). The structure can be drawn in the drawing pannel to search in the database. Currently Similarity, Exact structure, Substructure, & Superstructure of a compound can be searched in the database by drawing that compound. Click here to see the JSME help and basic instructions. Please note that for similarity search, default threshold score is 0.5, click on 'Set Similarity Threshold' to change it. An image of this search facility attached below.