Ligand name: 2-heptyl-4,6-bis(oxidanyl)benzoic acid
PDB ligand accession: 8HL
DrugBank: n/a
PubChem: 12442926
ChEMBL: n/a
InChI Key: XUWGCDWPOGIQII-UHFFFAOYSA-N
SMILES: CCCCCCCc1cc(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
7W6E	Download	Experimental	e7w6eA1 e7w6eB1	Alpha-beta plaits Alpha-beta plaits	LigPlot