Ligand |
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| Ligand Name: cis-Stilbene Oxide | ||
| Canonical SMILES: c1ccccc1[C@H]2O[C@H]2c3ccccc3 | ||
| Standard InChI: InChI=1S/C14H12O/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14+ | ||
| HET Code: 7F6 | PubChem: 98511 | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C14H12O | Mol. Weight: 196.08882 | logP: 3.4992 |
| HBD: 0 | HBA: 1 | |
| #Rotatable Bonds: 2 | TPSA: 12.53 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Epoxide Opening | ASP 129 | A | 17.27 | 5.49 | Epoxide |  |
Binding Affinity |
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