Ligand Download |
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Ligand Name: 3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid | ||
HET ID: YC8 | PubChem: 64394751 | |
DrugBank: - | ChEMBL: CHEMBL3774845 | |
Canonical SMILES: O=C(Nc1cnccc1C(=O)O)CCCc1ccccc1 | ||
Standard InChI: InChI=1S/C16H16N2O3/c19-15(8-4-7-12-5-2-1-3-6-12)18-14-11-17-10-9-13(14)16(20)21/h1-3,5-6,9-11H,4,7-8H2,(H,18,19)(H,20,21) | ||
Molecular Formula: C16H16N2O3 | Mol. Weight: 284.30984 | Heavy Atoms: 21 |
Charge: 0 | Is Chiral: False | logP: 2.8142 |
HBD: 2 | HBA: 5 | TPSA: 79.29 |
#Bonds: 22 | #Rotatable Bonds: 7 | Shape Complexity: 0.1875 |
Stereocomplexity: 0.0 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Lysine-specific demethylase 4D | Q6B0I6 (KDM4D_HUMAN) | Homo sapiens | 5FP7 | IC50 : 251.0 nM | BindingDB | SHOW |
Lysine-specific demethylase 4D | Q6B0I6 (KDM4D_HUMAN) | Homo sapiens | 5FP4 | IC50 : 251.0 nM | BindingDB | SHOW |
Lysine-specific demethylase 4D | Q6B0I6 (KDM4D_HUMAN) | Homo sapiens | 5FP4 | IC50 : 251.0 nM | Binding MOAD | SHOW |