Ligand |
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| Ligand Name: 5-Fluoro-2-hydroxy-2,4-pentadienoate | ||
| Canonical SMILES: OC(=O)C(\O)=C\C=C\F | ||
| Standard InChI: InChI=1S/C5H5FO3/c6-3-1-2-4(7)5(8)9/h1-3,7H,(H,8,9)/b3-1+,4-2- | ||
| HET Code: 6Y5 | PubChem: - | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C5H5FO3 | Mol. Weight: 132.02228 | logP: 0.9961 |
| HBD: 2 | HBA: 2 | |
| #Rotatable Bonds: 2 | TPSA: 57.53 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Michael Addition | PRO 1 | F | 30.54 | - | Butadienyl Carbonyl |  |
Binding Affinity |
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