Ligand |
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| Ligand Name: AZ-009 | ||
| Canonical SMILES: NC(=N)c1cc2c(Cl)cc(CS)cc2s1 | ||
| Standard InChI: InChI=1S/C10H9ClN2S2/c11-7-1-5(4-14)2-8-6(7)3-9(15-8)10(12)13/h1-3,14H,4H2,(H3,12,13) | ||
| HET Code: KLZ | PubChem: 146170565 | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C10H9ClN2S2 | Mol. Weight: 255.98956 | logP: 3.26857 |
| HBD: 3 | HBA: 3 | |
| #Rotatable Bonds: 2 | TPSA: 49.87 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Disulfide Formation | CYS 38 | A | 72.68 | 99.99 | Thiol |  |
Binding Affinity |
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