Ligand

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Ligand Name:   ~{N}-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
HET ID:   N2K PubChem:   72704498
DrugBank:   - ChEMBL:   CHEMBL3087809
Canonical SMILES:   CCN(CCNS(=O)(=O)Cc1ccc(cc1)C(F)(F)F)CC
Standard InChI:   InChI=1S/C14H21F3N2O2S/c1-3-19(4-2)10-9-18-22(20,21)11-12-5-7-13(8-6-12)14(15,16)17/h5-8,18H,3-4,9-11H2,1-2H3
Molecular Formula:   C14H21F3N2O2S Mol. Weight:   338.38895 Heavy Atoms:   22
Charge:   0 Is Chiral:   False logP:   3.9383
HBD:   1 HBA:   4 TPSA:   57.79
#Bonds:   22 #Rotatable Bonds:   9 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 6TD2
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