Ligand name: 2-(4-((pyridin-4-yl)methyl)piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one
PDB ligand accession: JL9
DrugBank: n/a
PubChem: 16669387;135567045;
ChEMBL: CHEMBL3593715
InChI Key: NZSKSXWSNJEOQY-UHFFFAOYSA-N
SMILES: c1cnccc1CN2CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

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
5AL5	Download	Experimental	e5al5A1 e5al5B1	ADP-ribosylation ADP-ribosylation	LigPlot