Ligand name: (~{E})-3-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one
PDB ligand accession: JV1
DrugBank: n/a
PubChem: 5383850
ChEMBL: CHEMBL455469
InChI Key: MALGARLLWBWYQV-GQCTYLIASA-N
SMILES: c1cc(cc(c1)[N+](=O)[O-])C(=O)C=Cc2ccc3c(c2)OCO3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Linear 1,3-diarylpropanoids
      • Subclass: Chalcones and dihydrochalcones

List of PDB structures and/or AlphaFold models with target protein Q9N6S8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6SSZ	Download	Experimental	e6sszA1 e6sszB1	Cysteine proteinases-like Cysteine proteinases-like	LigPlot