Structure of PDB 2cvd Chain B Binding Site BS02 |
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Ligand ID | HQL |
InChI | InChI=1S/C22H27N5O/c1-3-8-18(9-4-1)22(19-10-5-2-6-11-19)28-20-13-16-27(17-14-20)15-7-12-21-23-25-26-24-21/h1-6,8-11,20,22H,7,12-17H2,(H,23,24,25,26) |
InChIKey | TZQGXAHOROZEKN-UHFFFAOYSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | c1ccc(cc1)C(c2ccccc2)OC3CCN(CC3)CCCc4[nH]nnn4 | ACDLabs 10.04 | O(C2CCN(CCCc1nnnn1)CC2)C(c3ccccc3)c4ccccc4 | CACTVS 3.341 | C(CN1CCC(CC1)OC(c2ccccc2)c3ccccc3)Cc4[nH]nnn4 |
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Formula | C22 H27 N5 O |
Name | 4-(BENZHYDRYLOXY)-1-[3-(1H-TETRAAZOL-5-YL)PROPYL]PIPERIDINE; HQL-79 |
ChEMBL | CHEMBL574003 |
DrugBank | DB07917 |
ZINC | ZINC000003810035
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PDB chain | 2cvd Chain B Residue 2401
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