Structure of PDB 3iba Chain A Binding Site BS03 |
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| Ligand ID | ZOL |
| InChI | InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14) |
| InChIKey | XRASPMIURGNCCH-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.341 | OC(Cn1ccnc1)([P](O)(O)=O)[P](O)(O)=O | | ACDLabs 10.04 | O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O | | OpenEye OEToolkits 1.5.0 | c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O |
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| Formula | C5 H10 N2 O7 P2 |
| Name | ZOLEDRONIC ACID;
(1-HYDROXY-2-IMIDAZOL-1-YLETHYLIDENE)DIPHOSPHONIC ACID |
| ChEMBL | CHEMBL924 |
| DrugBank | DB00399 |
| ZINC | ZINC000003803652
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| PDB chain | 3iba Chain A Residue 901
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