Ligand |
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| Ligand Name: KK073 | ||
| Canonical SMILES: FC(F)(F)c1ccc(cc1)N2CCN(CC2)C(=O)n3ccnn3 | ||
| Standard InChI: InChI=1S/C14H14F3N5O/c15-14(16,17)11-1-3-12(4-2-11)20-7-9-21(10-8-20)13(23)22-6-5-18-19-22/h1-6H,7-10H2 | ||
| HET Code: 9GU | PubChem: - | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C14H14F3N5O | Mol. Weight: 325.11505 | logP: 2.0872 |
| HBD: 0 | HBA: 5 | |
| #Rotatable Bonds: 1 | TPSA: 54.26 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Nucleophilic Acyl Substitution | SER 147 | A | 9.79 | - | Hydrazide |  |
Binding Affinity |
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