Ligand name: 2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE
PDB ligand accession: P1A
DrugBank: n/a
PubChem: 115127
ChEMBL: CHEMBL549789
InChI Key: PJYYBCXMCWDUAZ-JJJZTNILSA-N
SMILES: CC(C)CCC(C(C)(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Steroids and steroid derivatives
      • Subclass: Bile acids, alcohols and derivatives

List of PDB structures and/or AlphaFold models with target protein A1JUG3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2NXX	Download	Experimental	e2nxxE1 e2nxxF1 e2nxxG1 e2nxxH1	Nuclear receptor ligand-binding domain Nuclear receptor ligand-binding domain Nuclear receptor ligand-binding domain Nuclear receptor ligand-binding domain	LigPlot