Ligand name: Aetiocholanolone
PDB ligand accession: AE2
DrugBank: DB02854
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 Q8NBQ5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
Q8NBQ5	Download	Predicted	Q8NBQ5_F1_nD1	Rossmann-like
1YB1		Predicted	e1yb1A1 e1yb1B1