Ligand |
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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 | Ligand Type: Small Molecule | |
Binding Affinity |
|
| Database Name | Value |
| PDBBind | IC50 : 22000 nM |
| BindingDB | Kd : 14800 nM, Kd : 22000 nM |