Ligand name: 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid
PDB ligand accession: PJA
DrugBank: n/a
PubChem: 23725
ChEMBL: CHEMBL176570
InChI Key: FUCWJKJZOHOLEO-UHFFFAOYSA-N
SMILES: Cc1cc(c(c2c1C(=O)Oc3c(c(cc(c3O2)C(=O)O)OC)C)C=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Depsides and depsidones
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q08603

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4EHM	Download	Experimental	e4ehmB2 e4ehmA1	Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot