Ligand |
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| Ligand Name: p-Tolylmethanesulfonyl fluoride | ||
| Canonical SMILES: Cc1ccc(CS(F)(=O)=O)cc1 | ||
| Standard InChI: InChI=1S/C8H9FO2S/c1-7-2-4-8(5-3-7)6-12(9,10)11/h2-5H,6H2,1H3 | ||
| HET Code: VOD | PubChem: 15678415 | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C8H9FO2S | Mol. Weight: 188.03073 | logP: 1.79432 |
| HBD: 0 | HBA: 2 | |
| #Rotatable Bonds: 2 | TPSA: 34.14 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Sulfonylation | SER 221 | A | 16.83 | - | Sulfonyl Halide |  |
Binding Affinity |
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