Ligand name: 4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide
PDB ligand accession: IWR
DrugBank: n/a
PubChem: 44483163
ChEMBL: CHEMBL562310
InChI Key: ZGSXEXBYLJIOGF-ALFLXDJESA-N
SMILES: c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)C5C6CC(C5C4=O)C=C6
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein Q9H2K2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3UA9	Download	Experimental	e3ua9A2 e3ua9B2	ADP-ribosylation ADP-ribosylation	LigPlot