Ligand |
||
 | ||
| Ligand Name: Soman | ||
| Canonical SMILES: CC(C)(C)[C@H](C)O[P@@](F)(=O)C | ||
| Standard InChI: InChI=1S/C7H16FO2P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3/t6-,11-/m0/s1 | ||
| HET Code: GD7 | PubChem: 12442896 | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C7H16FO2P | Mol. Weight: 182.08719 | logP: 3.23 |
| HBD: 0 | HBA: 2 | |
| #Rotatable Bonds: 2 | TPSA: 26.3 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Phosphorylation | SER 273 | A | 13.86 | - | Phosphonohalogenate |  |
Binding Affinity |
||
- |