Structure of PDB 5a5d Chain A Binding Site BS02 |
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Ligand ID | 5LC |
InChI | InChI=1S/C19H22N2O6/c22-14-8-4-6-12(16(14)24)18(26)20-10-2-1-3-11-21-19(27)13-7-5-9-15(23)17(13)25/h4-9,22-25H,1-3,10-11H2,(H,20,26)(H,21,27) |
InChIKey | BRWLZTCRFJVZDD-UHFFFAOYSA-N |
SMILES | Software | SMILES |
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ACDLabs 12.01 | O=C(c1cccc(O)c1O)NCCCCCNC(=O)c2cccc(O)c2O | OpenEye OEToolkits 1.7.6 | c1cc(c(c(c1)O)O)C(=O)NCCCCCNC(=O)c2cccc(c2O)O | CACTVS 3.385 | Oc1cccc(C(=O)NCCCCCNC(=O)c2cccc(O)c2O)c1O |
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Formula | C19 H22 N2 O6 |
Name | N,N'-pentane-1,5-diylbis(2,3-dihydroxybenzamide) |
ChEMBL | CHEMBL494328 |
DrugBank | |
ZINC | ZINC000040431154
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PDB chain | 5a5d Chain A Residue 500
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Enzyme Commision number |
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