Ligand name: N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide
PDB ligand accession: RXD
DrugBank: DB08499
PubChem: 24883488
ChEMBL: n/a
InChI Key: DQXBKUVWJSZHSI-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)OCCF)NC(=O)CCC(=O)Nc2ccc3c(c2)C(=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 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
3DEK	Download	Experimental	e3dekA1 e3dekC1	Caspase-like Caspase-like	LigPlot