Ligand Download |
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Ligand Name: 1-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide | ||
HET ID: ZN4 | PubChem: 71677773 | |
DrugBank: - | ChEMBL: CHEMBL3087808 | |
Canonical SMILES: CCN(CCNS(=O)(=O)Cc1ccc(cc1)Cl)CC | ||
Standard InChI: InChI=1S/C13H21ClN2O2S/c1-3-16(4-2)10-9-15-19(17,18)11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3 | ||
Molecular Formula: C13H21ClN2O2S | Mol. Weight: 304.83603 | Heavy Atoms: 19 |
Charge: 0 | Is Chiral: False | logP: 3.5729 |
HBD: 1 | HBA: 4 | TPSA: 57.79 |
#Bonds: 19 | #Rotatable Bonds: 8 | Shape Complexity: 0.53846157 |
Stereocomplexity: 0.0 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Acetylcholinesterase | P21836 (ACES_MOUSE) | Mus musculus | 4B81 | Kd : 11100.0 nM, Kd : 12000.0 nM | BindingDB | SHOW |