Structure of PDB 6evr Chain B Binding Site BS02 |
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| Ligand ID | BZW |
| InChI | InChI=1S/C20H23N3O4S/c1-15(24)23-12-11-22(14-18(23)13-16-5-3-2-4-6-16)20(25)17-7-9-19(10-8-17)28(21,26)27/h2-10,18H,11-14H2,1H3,(H2,21,26,27)/t18-/m0/s1 |
| InChIKey | YHSOVHWCSACWJK-SFHVURJKSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.6 | CC(=O)N1CCN(C[C@@H]1Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)N | | CACTVS 3.385 | CC(=O)N1CCN(C[CH]1Cc2ccccc2)C(=O)c3ccc(cc3)[S](N)(=O)=O | | CACTVS 3.385 | CC(=O)N1CCN(C[C@@H]1Cc2ccccc2)C(=O)c3ccc(cc3)[S](N)(=O)=O | | OpenEye OEToolkits 2.0.6 | CC(=O)N1CCN(CC1Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)N |
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| Formula | C20 H23 N3 O4 S |
| Name | 4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide |
| ChEMBL | CHEMBL4166970 |
| DrugBank | |
| ZINC |
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| PDB chain | 6evr Chain B Residue 302
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