Ligand |
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| Ligand Name: 2-deoxy-2-fluoro-alpha-L-idopyranosyluronic acid fluoride | ||
| Canonical SMILES: O[C@H]1[C@H](O)[C@@H](O[C@@H](F)[C@@H]1F)C(O)=O | ||
| Standard InChI: InChI=1S/C6H8F2O5/c7-1-2(9)3(10)4(6(11)12)13-5(1)8/h1-5,9-10H,(H,11,12)/t1-,2-,3+,4-,5-/m1/s1 | ||
| HET Code: FIF | PubChem: - | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C6H8F2O5 | Mol. Weight: 198.03398 | logP: -1.1747 |
| HBD: 3 | HBA: 4 | |
| #Rotatable Bonds: 1 | TPSA: 86.99 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Nucleophilic Acyl Substitution | GLU 299 | A | 15.59 | 8.28 | Alkyl Halide |  |
Binding Affinity |
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