Ligand |
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| Ligand Name: N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE | ||
| HET ID: FXA | PubChem: 24794406 | |
| DrugBank: DB07800 | ChEMBL: CHEMBL402761 | |
| Canonical SMILES: Clc1ccc(nc1)NS(=O)(=O)c1ccccc1NC(=O)c1ccc(cc1)n1ccccc1=O | ||
| Standard InChI: InChI=1S/C23H17ClN4O4S/c24-17-10-13-21(25-15-17)27-33(31,32)20-6-2-1-5-19(20)26-23(30)16-8-11-18(12-9-16)28-14-4-3-7-22(28)29/h1-15H,(H,25,27)(H,26,30) | ||
| Molecular Formula: C23H17ClN4O4S | Mol. Weight: 480.9235 | Heavy Atoms: 33 |
| Charge: 0 | Is Chiral: False | logP: 5.1658 |
| HBD: 2 | HBA: 8 | TPSA: 118.54 |
| #Bonds: 36 | #Rotatable Bonds: 7 | Shape Complexity: 0.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
|
| Database Name | Value |
| PDBBind | Ki : 5.5 nM |
| BindingDB | Ki : 5.5 nM |
| Binding MOAD | Ki : 5.5 nM |