Ligand |
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| Ligand Name: SUCCINYLACETONE | ||
| Canonical SMILES: CC(=O)CC(=O)CCC(O)=O | ||
| Standard InChI: InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11) | ||
| HET Code: SHU | PubChem: 5312 | |
| DrugBank: - | ChEMBL: CHEMBL222824 | |
| Molecular Formula: C7H10O4 | Mol. Weight: 158.0579 | logP: 0.3994 |
| HBD: 1 | HBA: 3 | |
| #Rotatable Bonds: 5 | TPSA: 71.44 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Imine Condensation | LYS 263 | A | 16.23 | 4.74 | Ketone |  |
Binding Affinity |
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