Ligand name: 3-METHYL-N-[4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)PHENYL)BUTANAMIDE
PDB ligand accession: JQF
DrugBank: n/a
PubChem: 839513;135401345;
ChEMBL: CHEMBL1572993
InChI Key: IJWQZPJVSBDCPK-UHFFFAOYSA-N
SMILES: CC(C)CC(=O)Nc1ccc(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
4BUE	Download	Experimental	e4bueA1 e4bueB1	ADP-ribosylation ADP-ribosylation	LigPlot