Ligand |
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| Ligand Name: N-[2-(diethylamino)ethyl]-3-methoxy-benzenesulfonamide | ||
| HET ID: B3V | PubChem: 71677774 | |
| DrugBank: - | ChEMBL: CHEMBL3087814 | |
| Canonical SMILES: CCN(CCNS(=O)(=O)c1cccc(c1)OC)CC | ||
| Standard InChI: InChI=1S/C13H22N2O3S/c1-4-15(5-2)10-9-14-19(16,17)13-8-6-7-12(11-13)18-3/h6-8,11,14H,4-5,9-10H2,1-3H3 | ||
| Molecular Formula: C13H22N2O3S | Mol. Weight: 286.39038 | Heavy Atoms: 19 |
| Charge: 0 | Is Chiral: False | logP: 2.787 |
| HBD: 1 | HBA: 5 | TPSA: 67.02 |
| #Bonds: 19 | #Rotatable Bonds: 8 | Shape Complexity: 0.53846157 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
|
| Database Name | Value |
| PDBBind | IC50 : 7000 nM |
| Binding MOAD | IC50 : 7000 nM |