Ligand |
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| Ligand Name: 1,2-Benzenedisulfonyl fluoride | ||
| Canonical SMILES: FS(=O)(=O)c1ccccc1S(F)(=O)=O | ||
| Standard InChI: InChI=1S/C6H4F2O4S2/c7-13(9,10)5-3-1-2-4-6(5)14(8,11)12/h1-4H | ||
| HET Code: HVP | PubChem: 14195259 | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C6H4F2O4S2 | Mol. Weight: 241.9519 | logP: 1.003 |
| HBD: 0 | HBA: 4 | |
| #Rotatable Bonds: 2 | TPSA: 68.28 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Sulfonylation | SER 195 | C | 26.72 | - | Sulfonyl Halide |  |
Binding Affinity |
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- |