Ligand name: (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide
PDB ligand accession: PD9
DrugBank: DB00494
PubChem: 5281081
ChEMBL: CHEMBL953
InChI Key: JRURYQJSLYLRLN-BJMVGYQFSA-N
SMILES: CCN(CC)C(=O)C(=Cc1cc(c(c(c1)O)O)[N+](=O)[O-])C#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Cinnamic acids and derivatives
      • Subclass: Hydroxycinnamic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein Q9C0B1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6AK4	Download	Experimental	e6ak4A2 e6ak4A3	jelly-roll STAT-like	LigPlot