Ligand

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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