Ligand

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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