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TitleEstrogen Receptor Ligands. II. Discovery of Benzoxathiins as Potent, Selective Estrogen Receptor alpha Modulators.
Journal, issue, pagesJ. Med. Chem., Vol. 47, Page 2171-2175, Year 2004
Publish dateMar 2, 2004 (structure data deposition date)
AuthorsKim, S. / Wu, J.Y. / Birzin, E.T. / Frisch, K. / Chan, W. / Pai, L.Y. / Yang, Y.T. / Mosley, R.T. / Fitzgerald, P.M. / Sharma, N. ...Kim, S. / Wu, J.Y. / Birzin, E.T. / Frisch, K. / Chan, W. / Pai, L.Y. / Yang, Y.T. / Mosley, R.T. / Fitzgerald, P.M. / Sharma, N. / Dahllund, J. / Thorsell, A.G. / DiNinno, F. / Rohrer, S.P. / Schaeffer, J.M. / Hammond, M.L.
External linksJ. Med. Chem. / PubMed:15084115
MethodsX-ray diffraction
Resolution1.9 Å
Structure data

PDB-1sj0:
Human Estrogen Receptor Alpha Ligand-binding Domain in Complex with the Antagonist Ligand 4-D
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-E4D:
(2S,3R)-2-(4-(2-(PIPERIDIN-1-YL)ETHOXY)PHENYL)-2,3-DIHYDRO-3-(4-HYDROXYPHENYL)BENZO[B][1,4]OXATHIIN-6-OL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHORMONE/GROWTH FACTOR RECEPTOR / NUCLEAR RECEPTOR / TRANSCRIPTION FACTOR / ER-ALPHA / ANTAGONIST / HORMONE-GROWTH FACTOR RECEPTOR COMPLEX

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