Ligand name: (1R,2R,4S,5R)-1,4,5-TRIHYDROXY-2-(4-METHOXYBENZYL)-3-OXOCYCLOHEXANECARBOXYLIC ACID
PDB ligand accession: XNW
DrugBank: n/a
PubChem: 46241904
ChEMBL: n/a
InChI Key: KDOXKRDIRCHNDT-YODMDTAWSA-N
SMILES: COc1ccc(cc1)CC2C(=O)C(C(CC2(C(=O)O)O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Phenol ethers
      • Subclass: Anisoles

List of PDB structures and/or AlphaFold models with target protein Q48255

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2XB9	Download	Experimental	e2xb9A1 e2xb9C1 e2xb9A1 e2xb9B1	Flavodoxin-like Flavodoxin-like Flavodoxin-like Flavodoxin-like	LigPlot