Ligand name: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL
PDB ligand accession: VDX
DrugBank: DB00136
PubChem: 5280453
ChEMBL: CHEMBL846
InChI Key: GMRQFYUYWCNGIN-NKMMMXOESA-N
SMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
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
6XZH	Download	Experimental	e6xzhA1	Nuclear receptor ligand-binding domain	LigPlot
6XZI	Download	Experimental	e6xziA1	Nuclear receptor ligand-binding domain	LigPlot
6XZV	Download	Experimental	e6xzvA1	Nuclear receptor ligand-binding domain	LigPlot
4RUJ	Download	Experimental	e4rujA1	Nuclear receptor ligand-binding domain	LigPlot
6XZK	Download	Experimental	e6xzkA1	Nuclear receptor ligand-binding domain	LigPlot
6XZJ	Download	Experimental	e6xzjA1	Nuclear receptor ligand-binding domain	LigPlot
2HC4	Download	Experimental	e2hc4A1	Nuclear receptor ligand-binding domain	LigPlot