Ligand name: 4-hydroxy-3-methoxy-5-nitrobenzoic acid
PDB ligand accession: 1DF
DrugBank: n/a
PubChem: 15527939
ChEMBL: n/a
InChI Key: AEDVAGWYAKIOIM-UHFFFAOYSA-N
SMILES: COc1cc(cc(c1O)[N+](=O)[O-])C(=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 Q8RJ47

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4NG3	Download	Experimental	e4ng3A1 e4ng3H1 e4ng3B1 e4ng3G1 e4ng3C1 e4ng3F1 e4ng3D1 e4ng3E1	TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot