Ligand name: (14beta,17alpha)-17-ethynyl-17-hydroxyestr-4-en-3-one
PDB ligand accession: NDR
DrugBank: DB00717
PubChem: 6230
ChEMBL: CHEMBL1162
InChI Key: VIKNJXKGJWUCNN-XGXHKTLJSA-N
SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34
Drug action: agonist

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P06401

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1SQN	Download	Experimental	e1sqnA1 e1sqnB1	Nuclear receptor ligand-binding domain Nuclear receptor ligand-binding domain	LigPlot
2W8Y	Download	Experimental	e2w8yB1	Nuclear receptor ligand-binding domain	LigPlot