Ligand name: (1R,3R,7E,17beta)-17-[(1R)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,1 0-secoestra-5,7-diene-1,3-diol
PDB ligand accession: H97
DrugBank: n/a
PubChem: 11192655
ChEMBL: CHEMBL1738811
InChI Key: RAYDHJNMFBHXHA-DUSBBPLISA-N
SMILES: CC12CCCC(=CC=C3CC(CC(C3)O)O)C1CCC2C(CCCC(C)(C)O)CC#CC(C(F)(F)F)(C(F)(F)F)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Steroids and steroid derivatives
      • Subclass: Vitamin D and derivatives

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
3O1E	Download	Experimental	e3o1eA1	Nuclear receptor ligand-binding domain	LigPlot
4RUP	Download	Experimental	e4rupA1	Nuclear receptor ligand-binding domain	LigPlot