Ligand |
||
 | ||
| Ligand Name: naphthalene-1-thiol | ||
| Canonical SMILES: Sc1cccc2ccccc12 | ||
| Standard InChI: InChI=1S/C10H8S/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H | ||
| HET Code: 2XH | PubChem: 68259 | |
| DrugBank: - | ChEMBL: CHEMBL4094874 | |
| Molecular Formula: C10H8S | Mol. Weight: 160.03467 | logP: 3.1285 |
| HBD: 1 | HBA: 1 | |
| #Rotatable Bonds: 0 | TPSA: 0.0 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Disulfide Formation | CYS 39 | A | 49.62 | 99.99 | Thiol |  |
Binding Affinity |
||
- |