Ligand name: 4-[(4-{[6-bromo-3-(methoxycarbonyl)-1-oxo-4-phenylisoquinolin-2(1H)-yl]methyl}phenyl)amino]-4-oxobutanoic acid
PDB ligand accession: 446
DrugBank: n/a
PubChem: 10153026
ChEMBL: CHEMBL261014
InChI Key: UJOQZQKRUNERFC-UHFFFAOYSA-N
SMILES: COC(=O)C1=C(c2cc(ccc2C(=O)N1Cc3ccc(cc3)NC(=O)CCC(=O)O)Br)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
2ZDU	Download	Experimental	e2zduA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot