Ligand name: (1R,2R,3R,5Z)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol
PDB ligand accession: VDA
DrugBank: n/a
PubChem: n/a
ChEMBL: CHEMBL457052
InChI Key: DUIYWCMQVXJTIP-YYDWSLPPSA-N
SMILES: CCC(CC)(CSC(C)C1=CCC2C1(CCCC2=CC=C3CC(C(C(C3)O)OCCO)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
2ZL9	Download	Experimental	e2zl9A1	Nuclear receptor ligand-binding domain	LigPlot