Ligand name: 2,4-bis(oxidanyl)-6-pentyl-benzoic acid
PDB ligand accession: 4MX
DrugBank: n/a
PubChem: 2826719
ChEMBL: CHEMBL3134414
InChI Key: SXFKFRRXJUJGSS-UHFFFAOYSA-N
SMILES: CCCCCc1cc(cc(c1C(=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 I6WU39

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7W6D	Download	Experimental	e7w6dA1 e7w6dB1 e7w6dB1	Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits	LigPlot
5B09	Download	Experimental	e5b09A1	Alpha-beta plaits	LigPlot