Ligand name: 2-(4-tert-butylphenyl)-1,4-dihydroquinazolin-4-one
PDB ligand accession: 29F
DrugBank: n/a
PubChem: 696703;135443955;
ChEMBL: CHEMBL4290134
InChI Key: QTABKBZRAZXDQK-UHFFFAOYSA-N
SMILES: CC(C)(C)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
4BUD	Download	Experimental	e4budA1 e4budC1	ADP-ribosylation ADP-ribosylation	LigPlot
5AKU	Download	Experimental	e5akuA1 e5akuB1	ADP-ribosylation ADP-ribosylation	LigPlot