Ligand |
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| Ligand Name: (1R,2R)-1,2-Epoxycyclohexane | ||
| Canonical SMILES: [C@H]12[C@H](O2)CCCC1 | ||
| Standard InChI: InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2/t5-,6-/m1/s1 | ||
| HET Code: 40O | PubChem: 11170921 | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C6H10O | Mol. Weight: 98.073166 | logP: 1.3278 |
| HBD: 0 | HBA: 1 | |
| #Rotatable Bonds: 0 | TPSA: 12.53 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Epoxide Opening | ASP 129 | C | 17.67 | 9.28 | Epoxide |  |
Binding Affinity |
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