Ligand name: octyl 3,4,5-trihydroxybenzoate
PDB ligand accession: 65D
DrugBank: n/a
PubChem: 61253
ChEMBL: CHEMBL277346
InChI Key: NRPKURNSADTHLJ-UHFFFAOYSA-N
SMILES: CCCCCCCCOC(=O)c1cc(c(c(c1)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 P42330

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5HNU	Download	Experimental	e5hnuC1	TIM beta/alpha-barrel	LigPlot