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| Title | Discovery of (3S,4S)-3-methyl-3-(4-fluorophenyl)-4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxyprop-2-yl)phenyl)pyrrolidines as novel ROR gamma t inverse agonists. |
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| Journal, issue, pages | Bioorg. Med. Chem. Lett., Vol. 30, Page 127392-127392, Year 2020 |
| Publish date | Jun 16, 2020 (structure data deposition date) |
Authors | Jiang, B. / Duan, J.J. / Stachura, S. / Karmakar, A. / Hemagiri, H. / Raut, D.K. / Gupta, A.K. / Weigelt, C.A. / Khan, J. / Sack, J.S. ...Jiang, B. / Duan, J.J. / Stachura, S. / Karmakar, A. / Hemagiri, H. / Raut, D.K. / Gupta, A.K. / Weigelt, C.A. / Khan, J. / Sack, J.S. / Wu, D.R. / Yarde, M. / Shen, D.R. / Galella, M.A. / Mathur, A. / Zhao, Q. / Salter-Cid, L.M. / Carter, P.H. / Dhar, T.G.M. |
External links | Bioorg. Med. Chem. Lett. / PubMed:32738966 |
| Methods | X-ray diffraction |
| Resolution | 2.15 Å |
| Structure data | ![]() PDB-6xfv: |
| Chemicals | ![]() ChemComp-V27: ![]() ChemComp-HOH: |
| Source |
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Keywords | TRANSCRIPTION/Agonist / RORGT / NUCLEAR HORMONE RECEPTOR / LIGAND-BINDING DOMAIN / INVERSE AGONIST / TRANSCRIPTION-Agonist complex |
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