Ligand name: METHYL 4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)BENZOATE
PDB ligand accession: W2E
DrugBank: n/a
PubChem: 2210430;135476431;
ChEMBL: CHEMBL5267866
InChI Key: WBNLAUIGSCBBTF-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=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
4BUI	Download	Experimental	e4buiA1 e4buiC1	ADP-ribosylation ADP-ribosylation	LigPlot