Ligand |
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| Ligand Name: 5-fluoro-alpha-D-xylopyranosyl fluoride | ||
| Canonical SMILES: O[C@H]1[C@H](O)[C@H](F)O[C@H](F)[C@@H]1O | ||
| Standard InChI: InChI=1S/C5H8F2O4/c6-4-2(9)1(8)3(10)5(7)11-4/h1-5,8-10H/t1-,2-,3+,4+,5- | ||
| HET Code: FFX | PubChem: 101964863 | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C5H8F2O4 | Mol. Weight: 170.03906 | logP: -1.3095 |
| HBD: 3 | HBA: 4 | |
| #Rotatable Bonds: 0 | TPSA: 69.92 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Nucleophilic Acyl Substitution | ASP 582 | A | 12.99 | 7.72 | Alkyl Halide |  |
Binding Affinity |
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- |