Structure of PDB 6n17 Chain B Binding Site BS01 |
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| Ligand ID | K8Y |
| InChI | InChI=1S/C12H11NO7/c14-9(3-4-10(15)16)13-6-1-2-7(11(17)18)8(5-6)12(19)20/h1-2,5H,3-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20) |
| InChIKey | JVZSGTXFIVTSIN-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | OC(=O)CCC(=O)Nc1ccc(C(O)=O)c(c1)C(O)=O | | ACDLabs 12.01 | c1c(cc(C(O)=O)c(C(O)=O)c1)NC(CCC(O)=O)=O | | OpenEye OEToolkits 2.0.6 | c1cc(c(cc1NC(=O)CCC(=O)O)C(=O)O)C(=O)O |
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| Formula | C12 H11 N O7 |
| Name | 4-[(3-carboxypropanoyl)amino]benzene-1,2-dicarboxylic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 6n17 Chain B Residue 701
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