Ligand name: (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate
PDB ligand accession: RXB
DrugBank: DB08497
PubChem: 24883486
ChEMBL: n/a
InChI Key: NKBDSMREMMRFSI-INIZCTEOSA-N
SMILES: CC(=O)OC(c1ccccc1)C(=O)Nc2cccc3c2C(=O)C(=O)NC3=O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoquinolines and derivatives
      • Subclass: 1,4-isoquinolinediones

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P42574

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3DEI	Download	Experimental	e3deiA1 e3deiC1	Caspase-like Caspase-like	LigPlot