Ligand name: cyanomethyl 4-(4-oxo-4H-chromen-2-yl)benzoate
PDB ligand accession: F70
DrugBank: n/a
PubChem: 2817491
ChEMBL: CHEMBL2431803
InChI Key: VHZDBQAQWIEXCK-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C(=O)OCC#N
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
4L33	Download	Experimental	e4l33A1 e4l33C1 e4l33B1 e4l33D1	ADP-ribosylation ADP-ribosylation ADP-ribosylation ADP-ribosylation	LigPlot