Ligand name: (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile
PDB ligand accession: 7YC
DrugBank: n/a
PubChem: 134463701
ChEMBL: CHEMBL4435048
InChI Key: YQUZHVFIMWTUKR-ONNFQVAWSA-N
SMILES: c1c(cc(c(c1[N+](=O)[O-])O)O)C=C(C#N)C(=O)N2CCCOC2
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
6AEJ	Download	Experimental	e6aejA1 e6aejA2	jelly-roll STAT-like	LigPlot