Structure of PDB 1i9o Chain A Binding Site BS03 |
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Ligand ID | IOC |
InChI | InChI=1S/C14H11F3N2O3S/c15-11-6-3-9(12(16)13(11)17)7-19-14(20)8-1-4-10(5-2-8)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22) |
InChIKey | AANTYZRUJFNZFI-UHFFFAOYSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | c1cc(ccc1C(=O)NCc2ccc(c(c2F)F)F)S(=O)(=O)N | CACTVS 3.341 | N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccc(F)c(F)c2F | ACDLabs 10.04 | Fc1ccc(c(F)c1F)CNC(=O)c2ccc(cc2)S(=O)(=O)N |
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Formula | C14 H11 F3 N2 O3 S |
Name | 4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-BENZAMIDE |
ChEMBL | CHEMBL66907 |
DrugBank | DB04549 |
ZINC | ZINC000003581208
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PDB chain | 1i9o Chain A Residue 666
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