Ligand name: 1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-[(2E)-[(1S,3AS,7AS)-OCTAHYDRO-1-(5-HYDROXY-5-METHYL-1,3-HEXADIYNYL)-7A-METHYL-4H-INDEN-4-YLIDENE]ETHYLIDENE]-, (1R,3S,5Z)
PDB ligand accession: XE4
DrugBank: DB08742
PubChem: 11269429
ChEMBL: n/a
InChI Key: CEEUUHVULXTFGS-BQXVGYHGSA-N
SMILES: CC12CCCC(=CC=C3CC(CC(C3=C)O)O)C1CCC2C#CC#CC(C)(C)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Steroids and steroid derivatives
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q9PTN2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2HBH	Download	Experimental	e2hbhA1	Nuclear receptor ligand-binding domain	LigPlot