Ligand name: 5-{[(2S)-1-(3-oxo-3-{4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}propoxy)propan-2-yl]amino}-4-(trifluoromethyl)pyridazin-3(2H)-one
PDB ligand accession: QO4
DrugBank: DB19028
PubChem: 146047148
ChEMBL: CHEMBL5095043
InChI Key: UQZCQKXJAXKZQH-LBPRGKRZSA-N
SMILES: CC(COCCC(=O)N1CCN(CC1)c2ncc(cn2)C(F)(F)F)NC3=C(C(=O)NN=C3)C(F)(F)F
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 Q9H0J9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6V3W	Download	Experimental	e6v3wA1	ADP-ribosylation	LigPlot