Ligand name: (E,7R)-7-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-2-en-4-one
PDB ligand accession: 9KR
DrugBank: n/a
PubChem: 137348836
ChEMBL: CHEMBL4176693
InChI Key: VGMKRRGYTONKLW-FOWSJJJVSA-N
SMILES: CC=CC(=O)CCC(C)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
5ZWF	Download	Experimental	e5zwfA1	Nuclear receptor ligand-binding domain	LigPlot