Ligand |
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| Ligand Name: 3-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride | ||
| Canonical SMILES: O=S(=O)(F)c1cc(ccc1)-c2nnc(o2)-c3cc(Cl)cc(Cl)c3 | ||
| Standard InChI: InChI=1S/C14H7Cl2FN2O3S/c15-10-4-9(5-11(16)7-10)14-19-18-13(22-14)8-2-1-3-12(6-8)23(17,20)21/h1-7H | ||
| HET Code: 0U7 | PubChem: 71664876 | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C14H7Cl2FN2O3S | Mol. Weight: 371.95386 | logP: 4.3686 |
| HBD: 0 | HBA: 5 | |
| #Rotatable Bonds: 3 | TPSA: 73.06 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Sulfonylation | LYS 15 | A | 72.05 | 10.88 | Sulfonyl Halide |  |
Binding Affinity |
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