Ligand name: (3~{R},4~{S},5~{R})-3-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid
PDB ligand accession: 6TO
DrugBank: n/a
PubChem: 71447328
ChEMBL: n/a
InChI Key: LKLFKFQUYFROPV-ADMZAUMBSA-N
SMILES: c1cc(ccc1C=CC(=O)OC2C=C(CC(C2O)O)C(=O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Cinnamic acids and derivatives
      • Subclass: Hydroxycinnamic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein Q9FI78

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5KJU	Download	Experimental	e5kjuA1 e5kjuA2	CoA-dependent acyltransferases CoA-dependent acyltransferases	LigPlot