Structure of PDB 1a6v Chain N Binding Site BS01 |
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Ligand ID | NPC |
InChI | InChI=1S/C14H18N2O6/c17-12-6-5-10(8-11(12)16(21)22)9-13(18)15-7-3-1-2-4-14(19)20/h5-6,8,17H,1-4,7,9H2,(H,15,18)(H,19,20)/p-1 |
InChIKey | XAYGJFACOIKJCT-UHFFFAOYSA-M |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | c1cc(c(cc1CC(=O)NCCCCCC(=O)[O-])[N+](=O)[O-])O | CACTVS 3.341 | Oc1ccc(CC(=O)NCCCCCC([O-])=O)cc1[N+]([O-])=O | ACDLabs 10.04 | O=[N+]([O-])c1cc(ccc1O)CC(=O)NCCCCCC([O-])=O |
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Formula | C14 H17 N2 O6 |
Name | 4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID ANION |
ChEMBL | |
DrugBank | DB08295 |
ZINC |
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PDB chain | 1a6v Chain J Residue 430
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Enzyme Commision number |
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