Ligand |
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| Ligand Name: tosyl fluoride | ||
| Canonical SMILES: Cc1ccc(S(F)(=O)=O)cc1 | ||
| Standard InChI: InChI=1S/C7H7FO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3 | ||
| HET Code: TSU | PubChem: 9965 | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C7H7FO2S | Mol. Weight: 174.01508 | logP: 1.65322 |
| HBD: 0 | HBA: 2 | |
| #Rotatable Bonds: 1 | TPSA: 34.14 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Sulfonylation | SER 195 | A | 25.71 | - | Sulfonyl Halide |  |
Binding Affinity |
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