Ligand name: 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3~{H}-quinazolin-4-one
PDB ligand accession: O3H
DrugBank: n/a
PubChem: 52913556;136201717;
ChEMBL: CHEMBL4460557
InChI Key: AFXJUCILCGBUNX-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)C(=O)NC(=N2)SCCN3CCN(CC3)c4ccccn4
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 P09874

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6XVW	Download	Experimental	e6xvwA1 e6xvwA2 e6xvwB1 e6xvwB2	ADP-ribosylation Domain of poly(ADP-ribose) polymerase Domain of poly(ADP-ribose) polymerase ADP-ribosylation	LigPlot