Ligand |
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| Ligand Name: 2-[2-(methylsulfonylamino)ethylamino]pyridine-4-carboxylic acid | ||
| HET ID: CTK | PubChem: 43420766 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: OC(=O)c1ccnc(c1)NCCNS(=O)(=O)C | ||
| Standard InChI: InChI=1S/C9H13N3O4S/c1-17(15,16)12-5-4-11-8-6-7(9(13)14)2-3-10-8/h2-3,6,12H,4-5H2,1H3,(H,10,11)(H,13,14) | ||
| Molecular Formula: C9H13N3O4S | Mol. Weight: 259.28223 | Heavy Atoms: 17 |
| Charge: 0 | Is Chiral: False | logP: 1.2856 |
| HBD: 3 | HBA: 7 | TPSA: 116.77 |
| #Bonds: 17 | #Rotatable Bonds: 6 | Shape Complexity: 0.33333334 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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