Ligand name: AETIOCHOLANOLONE
PDB ligand accession: AE2
DrugBank: DB02854
PubChem: 5880
ChEMBL: CHEMBL85799
InChI Key: QGXBDMJGAMFCBF-BNSUEQOYSA-N
SMILES: CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Steroids and steroid derivatives
      • Subclass: Androstane steroids

List of PDB structures and/or AlphaFold models with target protein P01868

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1DBJ	Download	Experimental	e1dbjL1 e1dbjH1	Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich	LigPlot