Ligand |
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| Ligand Name: IDFP | ||
| Canonical SMILES: CC(C)O[P@@](=O)(F)CCCCCCCCCCC=C | ||
| Standard InChI: InChI=1S/C15H30FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-19(16,17)18-15(2)3/h4,15H,1,5-14H2,2-3H3/t19-/m1/s1 | ||
| HET Code: TO4 | PubChem: 124523540 | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C15H30FO2P | Mol. Weight: 292.19675 | logP: 6.2709 |
| HBD: 0 | HBA: 2 | |
| #Rotatable Bonds: 13 | TPSA: 26.3 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Phosphorylation | SER 165 | A | 16.16 | - | Phosphonohalogenate |  |
Binding Affinity |
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- |