Structure of PDB 6kzz Chain A Binding Site BS01 |
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Ligand ID | E0R |
InChI | InChI=1S/C18H15N3O4/c1-19-14-4-2-3-11-9-13(17(23)21-15(11)14)16(22)20-12-7-5-10(6-8-12)18(24)25/h2-9,19H,1H3,(H,20,22)(H,21,23)(H,24,25) |
InChIKey | VUXYPRAXFABKBH-UHFFFAOYSA-N |
SMILES | Software | SMILES |
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CACTVS 3.385 | CNc1cccc2C=C(C(=O)Nc3ccc(cc3)C(O)=O)C(=O)Nc12 | OpenEye OEToolkits 2.0.7 | CNc1cccc2c1NC(=O)C(=C2)C(=O)Nc3ccc(cc3)C(=O)O |
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Formula | C18 H15 N3 O4 |
Name | 4-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid; 4-{[8-(methylamino)-2-oxo-1,2-dihydroquinoline-3-carbonyl]amino}benzoic acid |
ChEMBL | CHEMBL4776589 |
DrugBank | |
ZINC |
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PDB chain | 6kzz Chain A Residue 301
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Enzyme Commision number |
5.6.2.2: DNA topoisomerase (ATP-hydrolyzing). |
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