Ligand Download |
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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 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Lysine-specific demethylase 4E | B2RXH2 (KDM4E_HUMAN) | Homo sapiens | 2W2I | Ki : 914000.0 nM, IC50 : 1400.0 nM, IC50 : 6310.0 nM | BindingDB | SHOW |
Lysine-specific demethylase 4D | Q6B0I6 (KDM4D_HUMAN) | Homo sapiens | 4D6Q |
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SHOW |