Ligand |
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| Ligand Name: 3-AMINOPYRIDINE-4-CARBOXYLIC ACID | ||
| HET ID: 4SV | PubChem: 459531 | |
| DrugBank: - | ChEMBL: CHEMBL1383671 | |
| Canonical SMILES: OC(=O)c1ccncc1N | ||
| Standard InChI: InChI=1S/C6H6N2O2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,7H2,(H,9,10) | ||
| Molecular Formula: C6H6N2O2 | Mol. Weight: 138.12404 | Heavy Atoms: 10 |
| Charge: 0 | Is Chiral: False | logP: 0.9432 |
| HBD: 2 | HBA: 4 | TPSA: 76.21 |
| #Bonds: 10 | #Rotatable Bonds: 1 | Shape Complexity: 0.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
|
| Database Name | Value |
| BindingDB | IC50 : 1259 nM, IC50 : 1585 nM |
| Binding MOAD | IC50 : 1585 nM |