Ligand name: 5-{[(3beta,5beta,14beta,17alpha)-3-hydroxy-24-oxocholan-24-yl]amino}benzene-1,3-dicarboxylic acid
PDB ligand accession: 9L1
DrugBank: n/a
PubChem: 126962420
ChEMBL: n/a
InChI Key: BFYYXWCXPZTBMZ-ZCONXCDASA-N
SMILES: CC(CCC(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O)C2CCC3C2(CCC4C3CCC5C4(CCC(C5)O)C)C
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 Q96RI1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5Q0M	Download	Experimental	e5q0mA1	Nuclear receptor ligand-binding domain	LigPlot