Ligand name: (1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate
PDB ligand accession: RXC
DrugBank: DB08498
PubChem: 46937155
ChEMBL: n/a
InChI Key: OVSAMUIBGQSLDC-INIZCTEOSA-N
SMILES: CC(=O)OC(c1cccc(c1)Cl)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
3DEJ	Download	Experimental	e3dejA1 e3dejC1	Caspase-like Caspase-like	LigPlot