Ligand name: 4-(4-OXO-1,4-DIHYDROQUINAZOLIN-2-YL)BENZONITRILE
PDB ligand accession: 27F
DrugBank: n/a
PubChem: 2799270;135408306;
ChEMBL: CHEMBL4076615
InChI Key: KINPFEIFSJMYNL-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)C#N
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
4BU8	Download	Experimental	e4bu8A1 e4bu8C1	ADP-ribosylation ADP-ribosylation	LigPlot