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Structure paper

TitleEstrogen receptor ligands. Part 16: 2-Aryl indoles as highly subtype selective ligands for ERalpha
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 17, Page 2322-2328, Year 2007
Publish dateOct 10, 2006 (structure data deposition date)
AuthorsDykstra, K.D. / Guo, L. / Birzin, E.T. / Chan, W. / Yang, Y.T. / Hayes, E.C. / DaSilva, C.A. / Pai, L.-Y. / Mosley, R.T. / Kraker, B. ...Dykstra, K.D. / Guo, L. / Birzin, E.T. / Chan, W. / Yang, Y.T. / Hayes, E.C. / DaSilva, C.A. / Pai, L.-Y. / Mosley, R.T. / Kraker, B. / Fitzgerald, P.M.D. / DiNinno, F. / Rohrer, S.P. / Schaeffer, J.M. / Hammond, M.L.
External linksBioorg. Med. Chem. Lett. / PubMed:17289385
MethodsX-ray diffraction
Resolution1.6 - 2.4 Å
Structure data

PDB-2iog:
Human estrogen receptor alpha ligand-binding domain in complex with compound 11F
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-2iok:
Human estrogen receptor alpha ligand-binding domain in complex with compound 1D
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-IOG:
N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)-1H-INDOL-3-YL]ACETAMIDE

ChemComp-HOH:
WATER

ChemComp-IOK:
N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE

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

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