Ligand |
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| Ligand Name: WIN18,446 | ||
| Canonical SMILES: ClC(Cl)C(=O)NCCCCCCCCNC(=O)C(Cl)Cl | ||
| Standard InChI: InChI=1S/C12H20Cl4N2O2/c13-9(14)11(19)17-7-5-3-1-2-4-6-8-18-12(20)10(15)16/h9-10H,1-8H2,(H,17,19)(H,18,20) | ||
| HET Code: CW2 | PubChem: 15134 | |
| DrugBank: - | ChEMBL: CHEMBL3276621 | |
| Molecular Formula: C12H20Cl4N2O2 | Mol. Weight: 364.0279 | logP: 3.1668 |
| HBD: 2 | HBA: 2 | |
| #Rotatable Bonds: 11 | TPSA: 58.2 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Nucleophilic Aliphatic Subsititution | CYS 320 | D | 12.6 | 18.05 | Halomethyl Carbonyl |  |
Binding Affinity |
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