Ligand |
||
 | ||
| Ligand Name: n-undecyl O-methyl phosphorochloridate | ||
| Canonical SMILES: CCCCCCCCCCC[P@@](Cl)(=O)OC | ||
| Standard InChI: InChI=1S/C12H26ClO2P/c1-3-4-5-6-7-8-9-10-11-12-16(13,14)15-2/h3-12H2,1-2H3/t16-/m1/s1 | ||
| HET Code: DPE | PubChem: - | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C12H26ClO2P | Mol. Weight: 268.1359 | logP: 5.5955 |
| HBD: 0 | HBA: 2 | |
| #Rotatable Bonds: 11 | TPSA: 26.3 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Phosphorylation | SER 120 | A | 9.43 | - | Phosphonohalogenate |  |
Binding Affinity |
||
- |