Ligand name: CHENODEOXYCHOLIC ACID
PDB ligand accession: JN3
DrugBank: DB06777
PubChem: 10133
ChEMBL: CHEMBL240597
InChI Key: RUDATBOHQWOJDD-BSWAIDMHSA-N
SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
Drug action: agonist

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 drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein Q96RI1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6HL1	Download	Experimental	e6hl1A1	Nuclear receptor ligand-binding domain	LigPlot