Ligand |
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| Ligand Name: 4-chloranyl-N-[2-(diethylamino)ethyl]benzenesulfonamide | ||
| HET ID: B3W | PubChem: 208542 | |
| DrugBank: - | ChEMBL: CHEMBL1624646 | |
| Canonical SMILES: CCN(CCNS(=O)(=O)c1ccc(cc1)Cl)CC | ||
| Standard InChI: InChI=1S/C12H19ClN2O2S/c1-3-15(4-2)10-9-14-18(16,17)12-7-5-11(13)6-8-12/h5-8,14H,3-4,9-10H2,1-2H3 | ||
| Molecular Formula: C12H19ClN2O2S | Mol. Weight: 290.80945 | Heavy Atoms: 18 |
| Charge: 0 | Is Chiral: False | logP: 3.4318 |
| HBD: 1 | HBA: 4 | TPSA: 57.79 |
| #Bonds: 18 | #Rotatable Bonds: 7 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| PDBBind | IC50 : 88000 nM |
| BindingDB | IC50 : 88000 nM |
| Binding MOAD | IC50 : 88000 nM |