Ligand name: CHOLEST-5-EN-3-YL HYDROGEN SULFATE
PDB ligand accession: C3S
DrugBank: DB01990
PubChem: 65076
ChEMBL: CHEMBL1231592
InChI Key: BHYOQNUELFTYRT-DPAQBDIFSA-N
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)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: Cholestane steroids

List of PDB structures and/or AlphaFold models with target protein P51449

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5NTI	Download	Experimental	e5ntiA1 e5ntiB1 e5ntiC1 e5ntiD1	Nuclear receptor ligand-binding domain Nuclear receptor ligand-binding domain Nuclear receptor ligand-binding domain Nuclear receptor ligand-binding domain	LigPlot