Ligand name: (1R,3R,7E,17beta)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
PDB ligand accession: YS3
DrugBank: n/a
PubChem: 46901448
ChEMBL: CHEMBL1214510
InChI Key: JLJBOAPFTSKXIR-PXIOBPQKSA-N
SMILES: CC(CCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(C(=C)C(C3)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 P13053

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3VRU	Download	Experimental	e3vruA2	Nuclear receptor ligand-binding domain	LigPlot