Ligand name: 2-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-4H-chromen-4-one
PDB ligand accession: 1VF
DrugBank: n/a
PubChem: 46742375
ChEMBL: CHEMBL2431801
InChI Key: GCCLEHACQGEQIL-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)C(=O)c2ccc(cc2)C3=CC(=O)c4ccccc4O3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Flavonoids
      • Subclass: Flavones

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
4L32	Download	Experimental	e4l32A1 e4l32C1 e4l32B1 e4l32D1	ADP-ribosylation ADP-ribosylation ADP-ribosylation ADP-ribosylation	LigPlot