Ligand name: 1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-2H-spiro[1-benzofuran-3,4'-piperidin]-2-one
PDB ligand accession: 9H3
DrugBank: n/a
PubChem: 138594785
ChEMBL: CHEMBL4575275
InChI Key: XGTNOTWEBRRAKO-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)C(=O)O2
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazanaphthalenes
      • Subclass: Benzodiazines

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
5ZQP	Download	Experimental	e5zqpA1 e5zqpB1	ADP-ribosylation ADP-ribosylation	LigPlot