Ligand name: 7-chloranyl-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one
PDB ligand accession: 9CB
DrugBank: n/a
PubChem: 72723896;135567252;
ChEMBL: n/a
InChI Key: BVRNUZUFOQOYPZ-UHFFFAOYSA-N
SMILES: CN(CCO)c1ccc(cc1)C2=Nc3cc(ccc3C(=O)N2)Cl
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
5NWG	Download	Experimental	e5nwgA1 e5nwgH1 e5nwgB1 e5nwgI1	ADP-ribosylation ADP-ribosylation ADP-ribosylation ADP-ribosylation	LigPlot