Ligand |
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| Ligand Name: Benzoquinone | ||
| Canonical SMILES: O=C1C=CC(=O)C=C1 | ||
| Standard InChI: InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H | ||
| HET Code: DBX | PubChem: 4650 | |
| DrugBank: - | ChEMBL: CHEMBL8320 | |
| Molecular Formula: C6H4O2 | Mol. Weight: 108.021126 | logP: 0.2506 |
| HBD: 0 | HBA: 2 | |
| #Rotatable Bonds: 0 | TPSA: 34.14 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Composite Reaction | CYS 322 | C | 85.38 | 10.9 | Vinyl Carbonyl |  |
Binding Affinity |
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