Ligand name: (3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol
PDB ligand accession: 97I
DrugBank: n/a
PubChem: 9847853
ChEMBL: CHEMBL3634637
InChI Key: SHCBCKBYTHZQGZ-DLHMIPLTSA-N
SMILES: CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)O)C)O)C)O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Prenol lipids
      • Subclass: Triterpenoids

List of PDB structures and/or AlphaFold models with target protein P51449

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7W3Q	Download	Experimental	e7w3qA1	Nuclear receptor ligand-binding domain	LigPlot