Ligand name: (5BETA)-PREGNANE-3,20-DIONE
PDB ligand accession: CI2
DrugBank: DB07557
PubChem: 92745
ChEMBL: CHEMBL486954
InChI Key: XMRPGKVKISIQBV-XWOJZHJZSA-N
SMILES: CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C
Drug action: n/a

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P51857

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3CAV	Download	Experimental	e3cavA1 e3cavB1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot