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| Title | Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist. |
|---|---|
| Journal, issue, pages | J. Med. Chem., Vol. 61, Page 10415-10439, Year 2018 |
| Publish date | Mar 7, 2018 (structure data deposition date) |
 Authors | Schnute, M.E. / Wennerstal, M. / Alley, J. / Bengtsson, M. / Blinn, J.R. / Bolten, C.W. / Braden, T. / Bonn, T. / Carlsson, B. / Caspers, N. ...Schnute, M.E. / Wennerstal, M. / Alley, J. / Bengtsson, M. / Blinn, J.R. / Bolten, C.W. / Braden, T. / Bonn, T. / Carlsson, B. / Caspers, N. / Chen, M. / Choi, C. / Collis, L.P. / Crouse, K. / Farnegardh, M. / Fennell, K.F. / Fish, S. / Flick, A.C. / Goos-Nilsson, A. / Gullberg, H. / Harris, P.K. / Heasley, S.E. / Hegen, M. / Hromockyj, A.E. / Hu, X. / Husman, B. / Janosik, T. / Jones, P. / Kaila, N. / Kallin, E. / Kauppi, B. / Kiefer, J.R. / Knafels, J. / Koehler, K. / Kruger, L. / Kurumbail, R.G. / Kyne Jr., R.E. / Li, W. / Lofstedt, J. / Long, S.A. / Menard, C.A. / Mente, S. / Messing, D. / Meyers, M.J. / Napierata, L. / Noteberg, D. / Nuhant, P. / Pelc, M.J. / Prinsen, M.J. / Rhonnstad, P. / Backstrom-Rydin, E. / Sandberg, J. / Sandstrom, M. / Shah, F. / Sjoberg, M. / Sundell, A. / Taylor, A.P. / Thorarensen, A. / Trujillo, J.I. / Trzupek, J.D. / Unwalla, R. / Vajdos, F.F. / Weinberg, R.A. / Wood, D.C. / Xing, L. / Zamaratski, E. / Zapf, C.W. / Zhao, Y. / Wilhelmsson, A. / Berstein, G. |
 External links | J. Med. Chem. / PubMed:30130103 |
| Methods | X-ray diffraction |
| Resolution | 2.3 - 2.45 Å |
| Structure data |  PDB-6cn5:  PDB-6cn6: |
| Chemicals |  ChemComp-F7M:  ChemComp-HOH:  ChemComp-F7J: |
| Source |
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 Keywords | SIGNALING PROTEIN / ROR GAMMA / LIGAND-BINDING / NUCLEAR RECEPTOR / NON STEROIDAL / INDOLE / PFIZER / INVERSE AGONIST |
homo sapiens (human)