Ligand |
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| Ligand Name: 3-[(4-methylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid | ||
| HET ID: AUY | PubChem: 114286469 | |
| DrugBank: - | ChEMBL: CHEMBL3775834 | |
| Canonical SMILES: Cc1csc(c1)CNc1cnccc1C(=O)O | ||
| Standard InChI: InChI=1S/C12H12N2O2S/c1-8-4-9(17-7-8)5-14-11-6-13-3-2-10(11)12(15)16/h2-4,6-7,14H,5H2,1H3,(H,15,16) | ||
| Molecular Formula: C12H12N2O2S | Mol. Weight: 248.30087 | Heavy Atoms: 17 |
| Charge: 0 | Is Chiral: False | logP: 2.8348 |
| HBD: 2 | HBA: 5 | TPSA: 90.46 |
| #Bonds: 18 | #Rotatable Bonds: 4 | Shape Complexity: 0.16666667 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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