Ligand Download |
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Ligand Name: N-[2-(diethylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide | ||
HET ID: Z5K | PubChem: 71677775 | |
DrugBank: - | ChEMBL: CHEMBL3087815 | |
Canonical SMILES: CCN(CCNS(=O)(=O)c1cccc(c1)C(F)(F)F)CC | ||
Standard InChI: InChI=1S/C13H19F3N2O2S/c1-3-18(4-2)9-8-17-21(19,20)12-7-5-6-11(10-12)13(14,15)16/h5-7,10,17H,3-4,8-9H2,1-2H3 | ||
Molecular Formula: C13H19F3N2O2S | Mol. Weight: 324.36237 | Heavy Atoms: 21 |
Charge: 0 | Is Chiral: False | logP: 3.7972 |
HBD: 1 | HBA: 4 | TPSA: 57.79 |
#Bonds: 21 | #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 | 4B84 | Kd : 14800.0 nM, Kd : 22000.0 nM | BindingDB | SHOW |