Ligand |
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| Ligand Name: epibromohydrin | ||
| Canonical SMILES: BrC[C@H]1CO1 | ||
| Standard InChI: InChI=1S/C3H5BrO/c4-1-3-2-5-3/h3H,1-2H2/t3-/m0/s1 | ||
| HET Code: EBH | PubChem: 6992965 | |
| DrugBank: - | ChEMBL: CHEMBL504705 | |
| Molecular Formula: C3H5BrO | Mol. Weight: 135.95238 | logP: 0.7801 |
| HBD: 0 | HBA: 1 | |
| #Rotatable Bonds: 1 | TPSA: 12.53 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Epoxide Opening | ASP 129 | A | 15.41 | 6.67 | Epoxide |  |
Binding Affinity |
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