Ligand name: 4-NITROQUINOLINE 1-OXIDE
PDB ligand accession: YHX
DrugBank: n/a
PubChem: 5955
ChEMBL: CHEMBL127655
InChI Key: YHQDZJICGQWFHK-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)c(cc[n+]2[O-])[N+](=O)[O-]
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: Nitroquinolines and derivatives

List of PDB structures and/or AlphaFold models with target protein Q9CED0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4BNB	Download	Experimental	e4bnbA1	Alpha-beta plaits	LigPlot