Ligand |
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| Ligand Name: 2-deoxy-2-fluoro-L-fucose | ||
| Canonical SMILES: C[C@H]1[C@@H](O)[C@@H](O)[C@H](F)[C@H](O1)O | ||
| Standard InChI: InChI=1S/C6H11FO4/c1-2-4(8)5(9)3(7)6(10)11-2/h2-6,8-10H,1H3/t2-,3-,4+,5-,6-/m0/s1 | ||
| HET Code: FUF | PubChem: 446098 | |
| DrugBank: - | ChEMBL: CHEMBL1232864 | |
| Molecular Formula: C6H11FO4 | Mol. Weight: 166.06413 | logP: -1.2166 |
| 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 224 | A | 14.46 | 4.05 | Hemiacetal |  |
Binding Affinity |
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- |