Ligand |
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| Ligand Name: 4,7-DIOXOSEBACIC ACID | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB714 | PubChem: 1698 | |
Synonym(s):
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| DrugBank: DB04560 | ChEMBL: CHEMBL1232365 | |
| Canonical SMILES: OC(=O)CCC(=O)CCC(=O)CCC(O)=O | ||
| Standard InChI: InChI=1S/C10H14O6/c11-7(3-5-9(13)14)1-2-8(12)4-6-10(15)16/h1-6H2,(H,13,14)(H,15,16) | ||
| Molecular Formula: C10H14O6 | Mol. Weight: 230.07904 | logP: 0.6344 |
| HBD: 2 | HBA: 4 | |
| #Rotatable Bonds: 9 | TPSA: 108.74 | |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
| Delta-aminolevulinic acid dehydratase | P0ACB2 (HEM2_ECOLI) | Escherichia coli (strain K12) | 1I8J | DSB | IC50 : 39000 nM | PDBBind | SHOW |
| Delta-aminolevulinic acid dehydratase | P0ACB2 (HEM2_ECOLI) | Escherichia coli (strain K12) | 1L6S | DSB | IC50 : 39000 nM | PDBBind | SHOW |
| Delta-aminolevulinic acid dehydratase | P05373 (HEM2_YEAST) | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) | 1EB3 | DSB |
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SHOW |