Structure of PDB 6n19 Chain B Binding Site BS01 |
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| Ligand ID | K8V |
| InChI | InChI=1S/C13H13NO7/c15-10(2-1-3-11(16)17)14-7-4-5-8(12(18)19)9(6-7)13(20)21/h4-6H,1-3H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21) |
| InChIKey | XOVXZYVADZDQHJ-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | OC(=O)CCCC(=O)Nc1ccc(C(O)=O)c(c1)C(O)=O | | OpenEye OEToolkits 2.0.6 | c1cc(c(cc1NC(=O)CCCC(=O)O)C(=O)O)C(=O)O | | ACDLabs 12.01 | c1(NC(CCCC(=O)O)=O)ccc(c(c1)C(O)=O)C(O)=O |
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| Formula | C13 H13 N O7 |
| Name | 4-[(4-carboxybutanoyl)amino]benzene-1,2-dicarboxylic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 6n19 Chain B Residue 701
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