Ligand name: 5-bromo-2-{[3-(octyloxy)benzyl]sulfanyl}benzoic acid
PDB ligand accession: 2CN
DrugBank: n/a
PubChem: 56928042
ChEMBL: n/a
InChI Key: DMCLNIZKWQGPTM-UHFFFAOYSA-N
SMILES: CCCCCCCCOc1cccc(c1)CSc2ccc(cc2C(=O)O)Br
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 A9JQL9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3TFV	Download	Experimental	e3tfvA1	Terpenoid synthases	LigPlot