Ligand |
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| Ligand Name: 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [2-(1--ISOPROPYL-PIPERIDIN-4-YLSULFAMOYL)-ETHYL]-AMIDE | ||
| HET ID: A7I | PubChem: 11990478 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CC(N1CCC(CC1)NS(=O)(=O)CCNC(=O)c1ccc(s1)Cl)C | ||
| Standard InChI: InChI=1S/C15H24ClN3O3S2/c1-11(2)19-8-5-12(6-9-19)18-24(21,22)10-7-17-15(20)13-3-4-14(16)23-13/h3-4,11-12,18H,5-10H2,1-2H3,(H,17,20) | ||
| Molecular Formula: C15H24ClN3O3S2 | Mol. Weight: 393.95236 | Heavy Atoms: 24 |
| Charge: 0 | Is Chiral: False | logP: 3.724 |
| HBD: 2 | HBA: 7 | TPSA: 115.13 |
| #Bonds: 25 | #Rotatable Bonds: 8 | Shape Complexity: 0.6666667 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| PDBBind | Ki : 2 nM |
| Binding MOAD | Ki : 2 nM |