Ligand name: 4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2(1H)-yl)methyl]benzoic acid
PDB ligand accession: 46C
DrugBank: n/a
PubChem: 10195059
ChEMBL: CHEMBL259554
InChI Key: ITAZALHTZBIKDO-UHFFFAOYSA-N
SMILES: CCC(=O)C1=C(c2cc(ccc2C(=O)N1Cc3ccc(cc3)C(=O)O)Cl)c4ccccc4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Phenylpyridines

List of PDB structures and/or AlphaFold models with target protein P53779

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2ZDT	Download	Experimental	e2zdtA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot