Ligand name: N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide
PDB ligand accession: M00
DrugBank: n/a
PubChem: 72771094;135566845;
ChEMBL: CHEMBL3092521
InChI Key: INPZIMSQNZGLHQ-JTQLQIEISA-N
SMILES: CCC(CO)NC(=O)CCC1=Nc2ccccc2C(=O)N1
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
4L7R	Download	Experimental	e4l7rA1 e4l7rA2	ADP-ribosylation Domain of poly(ADP-ribose) polymerase	LigPlot