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 Q2GA79

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4QS6	Download	Experimental	e4qs6A1 e4qs6B1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
4QS5	Download	Experimental	e4qs5A1 e4qs5B1 e4qs5C1 e4qs5D1	TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
4QRN	Download	Experimental	e4qrnA1 e4qrnB1 e4qrnC1 e4qrnD1	TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot