Ligand Download |
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Ligand Name: N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide | ||
HET ID: Q4Q | PubChem: 71677771 | |
DrugBank: - | ChEMBL: CHEMBL3087806 | |
Canonical SMILES: CCN(CCNS(=O)(=O)Cc1ccc(cc1)C)CC | ||
Standard InChI: InChI=1S/C14H24N2O2S/c1-4-16(5-2)11-10-15-19(17,18)12-14-8-6-13(3)7-9-14/h6-9,15H,4-5,10-12H2,1-3H3 | ||
Molecular Formula: C14H24N2O2S | Mol. Weight: 284.41757 | Heavy Atoms: 19 |
Charge: 0 | Is Chiral: False | logP: 3.2279 |
HBD: 1 | HBA: 4 | TPSA: 57.79 |
#Bonds: 19 | #Rotatable Bonds: 8 | Shape Complexity: 0.5714286 |
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 | 4B7Z | IC50 : 49000.0 nM | PDBBind | SHOW |
Acetylcholinesterase | P21836 (ACES_MOUSE) | Mus musculus | 4B7Z | IC50 : 49000.0 nM | BindingDB | SHOW |
Acetylcholinesterase | P21836 (ACES_MOUSE) | Mus musculus | 4B7Z | IC50 : 49000.0 nM | Binding MOAD | SHOW |