Ligand name: 4-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide
PDB ligand accession: 33C
DrugBank: n/a
PubChem: 56587957
ChEMBL: CHEMBL1956162
InChI Key: LFGACFGWTJMDPZ-ALFLXDJESA-N
SMILES: c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)C5C6CCC(C6)C5C4=O
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
4TKF	Download	Experimental	e4tkfA1 e4tkfB1 e4tkfC1 e4tkfD1	ADP-ribosylation ADP-ribosylation ADP-ribosylation ADP-ribosylation	LigPlot