Ligand |
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| Ligand Name: 2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-N,N-diethylacetamide | ||
| HET ID: 3G4 | PubChem: 11545694 | |
| DrugBank: DB07056 | ChEMBL: CHEMBL495597 | |
| Canonical SMILES: CCN(C(=O)Cc1cccc(n1)NS(=O)(=O)c1cccc(c1C)Cl)CC | ||
| Standard InChI: InChI=1S/C18H22ClN3O3S/c1-4-22(5-2)18(23)12-14-8-6-11-17(20-14)21-26(24,25)16-10-7-9-15(19)13(16)3/h6-11H,4-5,12H2,1-3H3,(H,20,21) | ||
| Molecular Formula: C18H22ClN3O3S | Mol. Weight: 395.9036 | Heavy Atoms: 26 |
| Charge: 0 | Is Chiral: False | logP: 4.4089 |
| HBD: 1 | HBA: 6 | TPSA: 87.75 |
| #Bonds: 27 | #Rotatable Bonds: 8 | Shape Complexity: 0.33333334 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| Binding MOAD | Ki : 287 nM |