Ligand Download |
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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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