Structure of PDB 6qkc Chain D Binding Site BS01 |
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Ligand ID | E2Q |
InChI | InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22) |
InChIKey | UQNAFPHGVPVTAL-UHFFFAOYSA-N |
SMILES | Software | SMILES |
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CACTVS 3.385 | N[S](=O)(=O)c1cccc2c3NC(=O)C(=O)Nc3cc(c12)[N+]([O-])=O | OpenEye OEToolkits 2.0.6 | c1cc2c(c(c1)S(=O)(=O)N)c(cc3c2NC(=O)C(=O)N3)[N+](=O)[O-] |
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Formula | C12 H8 N4 O6 S |
Name | 6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide |
ChEMBL | CHEMBL222519 |
DrugBank | |
ZINC | ZINC000008585017
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PDB chain | 6qkc Chain D Residue 901
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Enzyme Commision number |
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