Structure of PDB 6ebe Chain A Binding Site BS02 |
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Ligand ID | J3V |
InChI | InChI=1S/C14H11F3N4O6S/c15-14(16,17)7-1-3-8(4-2-7)19-13(23)20-10-5-9(28(18,26)27)6-11(12(10)22)21(24)25/h1-6,22H,(H2,18,26,27)(H2,19,20,23) |
InChIKey | QAQNAMKVJZAGRL-UHFFFAOYSA-N |
SMILES | Software | SMILES |
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ACDLabs 12.01 | c1cc(C(F)(F)F)ccc1NC(Nc2c(c(cc(c2)S(=O)(=O)N)N(=O)=O)O)=O | OpenEye OEToolkits 2.0.6 | c1cc(ccc1C(F)(F)F)NC(=O)Nc2cc(cc(c2O)N(=O)=O)S(=O)(=O)N | CACTVS 3.385 | N[S](=O)(=O)c1cc(NC(=O)Nc2ccc(cc2)C(F)(F)F)c(O)c(c1)[N](=O)=O |
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Formula | C14 H11 F3 N4 O6 S |
Name | 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide |
ChEMBL | CHEMBL4290468 |
DrugBank | |
ZINC |
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PDB chain | 6ebe Chain A Residue 302
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