Ligand name: 2-{[3-hydroxy-5-(octyloxy)benzyl]sulfanyl}benzoic acid
PDB ligand accession: HXK
DrugBank: n/a
PubChem: 121595976
ChEMBL: n/a
InChI Key: VWFBKLSSSBBNHA-UHFFFAOYSA-N
SMILES: CCCCCCCCOc1cc(cc(c1)O)CSc2ccccc2C(=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 A5K4U6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5HN8	Download	Experimental	e5hn8A1 e5hn8C1 e5hn8B1 e5hn8D1	Terpenoid synthases Terpenoid synthases Terpenoid synthases Terpenoid synthases	LigPlot