Ligand name: 8-methoxy-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one
PDB ligand accession: BJ4
DrugBank: n/a
PubChem: 12935003;135566972;
ChEMBL: CHEMBL3827329
InChI Key: JKCKQJATUNERKN-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)C2=Nc3c(cccc3OC)C(=O)N2
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
4UI5	Download	Experimental	e4ui5A1 e4ui5C1 e4ui5B1 e4ui5D1	ADP-ribosylation ADP-ribosylation ADP-ribosylation ADP-ribosylation	LigPlot