Ligand |
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| Ligand Name: 2-deoxy-2-fluoro-5-O-thiophosphono-alpha-D-arabinofuranose | ||
| Canonical SMILES: O[C@H]1O[C@H](COP(O)(S)=O)[C@@H](O)[C@@H]1F | ||
| Standard InChI: InChI=1S/C5H10FO6PS/c6-3-4(7)2(12-5(3)8)1-11-13(9,10)14/h2-5,7-8H,1H2,(H2,9,10,14)/t2-,3+,4-,5+/m1/s1 | ||
| HET Code: 48Z | PubChem: 54669589 | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C5H10FO6PS | Mol. Weight: 247.99197 | logP: -0.5506 |
| HBD: 4 | HBA: 5 | |
| #Rotatable Bonds: 3 | TPSA: 96.22 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Nucleophilic Acyl Substitution | GLU 226 | A | 17.99 | 9.39 | Hemiacetal |  |
Binding Affinity |
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