Ligand |
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| Ligand Name: FPyne | ||
| Canonical SMILES: CCO[P@@](=O)(F)CCCCCCCCCCOC(=O)NCCCCCC#C | ||
| Standard InChI: InChI=1S/C20H37FNO4P/c1-3-5-6-11-14-17-22-20(23)25-18-15-12-9-7-8-10-13-16-19-27(21,24)26-4-2/h1H,4-19H2,2H3,(H,22,23)/t27-/m1/s1 | ||
| HET Code: SEF | PubChem: - | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C20H37FNO4P | Mol. Weight: 405.24442 | logP: 6.2261 |
| HBD: 1 | HBA: 4 | |
| #Rotatable Bonds: 18 | TPSA: 64.63 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Phosphorylation | SER 151 | A | 44.44 | - | Phosphonohalogenate |  |
Binding Affinity |
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