Ligand name: (2E)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-1,4-dihydroquinazolin-2-yl)prop-2-enamide
PDB ligand accession: M95
DrugBank: n/a
PubChem: 72792620;136224185;
ChEMBL: CHEMBL3092519
InChI Key: VFWJQFJBFDGGJD-NKSUMMKUSA-N
SMILES: c1ccc(cc1)CC(CO)NC(=O)C=CC2=NC(=O)c3ccccc3N2
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
4L7P	Download	Experimental	e4l7pA1 e4l7pA2	ADP-ribosylation Domain of poly(ADP-ribose) polymerase	LigPlot