Ligand name: isoquinoline-1,3,4(2H)-trione
PDB ligand accession: RXA
DrugBank: n/a
PubChem: 10640
ChEMBL: CHEMBL206435
InChI Key: YIOFGHHAURBGSJ-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)C(=O)C(=O)NC2=O
Drug action: n/a

ClassyFire chemical classification:

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

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
3DEH	Download	Experimental	e3dehC1 e3dehA1	Caspase-like Caspase-like	LigPlot