Ligand name: 5-[(2~{S},3~{R})-3-[(~{R})-azanyl(phenyl)methyl]-2-(4-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoic acid
PDB ligand accession: NJW
DrugBank: n/a
PubChem: 146025991
ChEMBL: n/a
InChI Key: LSUDXEOVUGYZBL-KEDKVEHMSA-N
SMILES: c1ccc(cc1)C(=C2C(N(C(=O)C2=O)c3ccc(c(c3)C(=O)O)O)c4ccc(cc4)[N+](=O)[O-])N
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
6TL3	Download	Experimental	e6tl3A1	Repetitive alpha hairpins	LigPlot