Ligand name: 2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one
PDB ligand accession: 9C5
DrugBank: n/a
PubChem: 72723893;135567250;
ChEMBL: n/a
InChI Key: HRBBDVCUROQJPS-UHFFFAOYSA-N
SMILES: CN(CCO)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
5NWB	Download	Experimental	e5nwbA1 e5nwbC1 e5nwbB1 e5nwbD1	ADP-ribosylation ADP-ribosylation ADP-ribosylation ADP-ribosylation	LigPlot