Ligand |
||
 | ||
| Ligand Name: 1-dodecanesulfonyl chloride | ||
| Canonical SMILES: CCCCCCCCCCCCS(Cl)(=O)=O | ||
| Standard InChI: InChI=1S/C12H25ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3 | ||
| HET Code: DSC | PubChem: 66280 | |
| DrugBank: - | ChEMBL: CHEMBL3561591 | |
| Molecular Formula: C12H25ClO2S | Mol. Weight: 268.12637 | logP: 4.4759 |
| HBD: 0 | HBA: 2 | |
| #Rotatable Bonds: 11 | TPSA: 34.14 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Sulfonylation | SER 209 | A | 12.46 | - | Sulfonyl Halide |  |
Binding Affinity |
||
- |