Ligand |
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| Ligand Name: N-[2-(diethylamino)ethyl]-2-fluoranyl-benzenesulfonamide | ||
| HET ID: B3Z | PubChem: 2161439 | |
| DrugBank: - | ChEMBL: CHEMBL3087813 | |
| Canonical SMILES: CCN(CCNS(=O)(=O)c1ccccc1F)CC | ||
| Standard InChI: InChI=1S/C12H19FN2O2S/c1-3-15(4-2)10-9-14-18(16,17)12-8-6-5-7-11(12)13/h5-8,14H,3-4,9-10H2,1-2H3 | ||
| Molecular Formula: C12H19FN2O2S | Mol. Weight: 274.35486 | Heavy Atoms: 18 |
| Charge: 0 | Is Chiral: False | logP: 2.9175 |
| 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 : 41000 nM |
| BindingDB | IC50 : 41000 nM |
| Binding MOAD | IC50 : 41000 nM |