Ligand |
||
 | ||
| Ligand Name: DIISOPROPYL PHOSPHATE | ||
| Canonical SMILES: CC(C)OP(O)(=O)OC(C)C | ||
| Standard InChI: InChI=1S/C6H15O4P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3,(H,7,8) | ||
| HET Code: DFP | PubChem: 74162 | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C6H15O4P | Mol. Weight: 182.0708 | logP: 1.9368 |
| HBD: 1 | HBA: 3 | |
| #Rotatable Bonds: 4 | TPSA: 55.76 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Phosphorylation | SER 129 | A | 21.92 | - | Phosphate |  |
Binding Affinity |
||
- |