Structure of PDB 1i9p Chain A Binding Site BS02 |
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Ligand ID | IOE |
InChI | InChI=1S/C14H11F3N2O3S/c15-9-5-12(16)11(13(17)6-9)7-19-14(20)8-1-3-10(4-2-8)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22) |
InChIKey | DVTYOTODFLDHRL-UHFFFAOYSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | c1cc(ccc1C(=O)NCc2c(cc(cc2F)F)F)S(=O)(=O)N | CACTVS 3.341 | N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2c(F)cc(F)cc2F | ACDLabs 10.04 | Fc1cc(F)cc(F)c1CNC(=O)c2ccc(cc2)S(=O)(=O)N |
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Formula | C14 H11 F3 N2 O3 S |
Name | 4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-BENZAMIDE |
ChEMBL | |
DrugBank | DB02221 |
ZINC |
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PDB chain | 1i9p Chain A Residue 555
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