Ligand name: (1R,2Z,3R,5E,7E)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol
PDB ligand accession: 5YI
DrugBank: n/a
PubChem: n/a
ChEMBL: CHEMBL472510
InChI Key: PIRFBNFXEQEXIT-XXUXJEHWSA-N
SMILES: CCC(CC)(CSC(C)C1=CCC2C1(CCCC2=CC=C3CC(C(=CCO)C(C3)O)O)C)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 P13053

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3VT4	Download	Experimental	e3vt4A1	Nuclear receptor ligand-binding domain	LigPlot
3VT6	Download	Experimental	e3vt6A1	Nuclear receptor ligand-binding domain	LigPlot