Ligand name: 5-[(2~{R})-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid
PDB ligand accession: NE5
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: JFULNDGRPQGBFO-HXUWFJFHSA-N
SMILES: c1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)[N+](=O)=O)c4ccc(c(c4)C(=O)O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein P31947

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6TJM	Download	Experimental	e6tjmA1	Repetitive alpha hairpins	LigPlot