Ligand |
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| Ligand Name: PYRIDINE-2,4-DICARBOXYLIC ACID | ||
| HET ID: PD2 | PubChem: 10365 | |
| DrugBank: - | ChEMBL: CHEMBL316034 | |
| Canonical SMILES: OC(=O)c1ccnc(c1)C(=O)O | ||
| Standard InChI: InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12) | ||
| Molecular Formula: C7H5NO4 | Mol. Weight: 167.1189 | Heavy Atoms: 12 |
| Charge: 0 | Is Chiral: False | logP: 0.478 |
| HBD: 2 | HBA: 5 | TPSA: 87.49 |
| #Bonds: 12 | #Rotatable Bonds: 2 | Shape Complexity: 0.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
|
| Database Name | Value |
| PDBBind | Ki : 914 nM |
| BindingDB | Ki : 914000 nM, IC50 : 1400 nM, IC50 : 6310 nM |