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

ClassyFire chemical classification:

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

List of proteins that are targets for DB00717

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P04150_NDR	P04150	agonist
2	P10275_NDR	P10275	agonist
3	P06401_NDR	P06401	agonist	Ki(nM) = 1.9 IC50(nM) = 3.2 Kd(nM) = 0.4 EC50(nM) = 2.2