Ligand |
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| Ligand Name: 2-mercaptophenol | ||
| Canonical SMILES: Oc1c([S-])cccc1 | ||
| Standard InChI: InChI=1S/C6H6OS/c7-5-3-1-2-4-6(5)8/h1-4,7-8H/p-1 | ||
| HET Code: HTS | PubChem: 135726739 | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C6H5OS- | Mol. Weight: 125.00666 | logP: 1.298 |
| HBD: 1 | HBA: 2 | |
| #Rotatable Bonds: 0 | TPSA: 20.23 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Disulfide Formation | CYS 34 | A | 12.88 | 99.99 | Thiol |  |
Binding Affinity |
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