Ligand |
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| Ligand Name: KK094 | ||
| Canonical SMILES: c1cccc(c12)N(CC2)C(=O)n3ccnn3 | ||
| Standard InChI: InChI=1S/C11H10N4O/c16-11(15-8-6-12-13-15)14-7-5-9-3-1-2-4-10(9)14/h1-4,6,8H,5,7H2 | ||
| HET Code: KOK | PubChem: - | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C11H10N4O | Mol. Weight: 214.08546 | logP: 1.3089 |
| HBD: 0 | HBA: 4 | |
| #Rotatable Bonds: 0 | TPSA: 51.02 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Nucleophilic Aliphatic Subsititution | SER 147 | A | 12.55 | - | Hydrazide |  |
Binding Affinity |
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