Ligand name: 8-METHYL-2-(4-METHYLPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE
PDB ligand accession: M3W
DrugBank: n/a
PubChem: 72725380;135566969;
ChEMBL: CHEMBL3098940
InChI Key: VKQCBCMAFAIWOE-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)C2=Nc3c(cccc3C(=O)N2)C
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
4UFY	Download	Experimental	e4ufyA1 e4ufyB1	ADP-ribosylation ADP-ribosylation	LigPlot