Ligand name: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE
PDB ligand accession: K2B
DrugBank: n/a
PubChem: 91477
ChEMBL: CHEMBL63243
InChI Key: NYOXRYYXRWJDKP-GYKMGIIDSA-N
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein A0R4Q6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2YOO	Download	Experimental	e2yooA1 e2yooB1 e2yooC1 e2yooD1	Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450	LigPlot