Ligand name: 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(pyridin-2-yl)ethyl]propanamide
PDB ligand accession: 8ME
DrugBank: n/a
PubChem: 9107452;135566761;
ChEMBL: CHEMBL3092539
InChI Key: HWTVYWVFOWWESR-LBPRGKRZSA-N
SMILES: CC(c1ccccn1)NC(=O)CCC2=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 Q9Y6F1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4GV0	Download	Experimental	e4gv0A1 e4gv0A2	Domain of poly(ADP-ribose) polymerase ADP-ribosylation	LigPlot