Ligand |
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| Ligand Name: AZ-010 | ||
| Canonical SMILES: NC(=N)c1cc(cs1)-c1cccc(NC(=O)C=C)c1 | ||
| Standard InChI: InChI=1S/C14H13N3OS/c1-2-13(18)17-11-5-3-4-9(6-11)10-7-12(14(15)16)19-8-10/h2-8H,1H2,(H3,15,16)(H,17,18) | ||
| HET Code: KM8 | PubChem: - | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C14H13N3OS | Mol. Weight: 271.07794 | logP: 2.82367 |
| HBD: 3 | HBA: 3 | |
| #Rotatable Bonds: 4 | TPSA: 78.97 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Michael Addition | CYS 38 | A | 61.3 | 10.42 | Vinyl Carbonyl |  |
Binding Affinity |
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