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TitleDiscovery of [1,2,4]Triazolo[1,5-a]pyridine Derivatives as Potent and Orally Bioavailable ROR gamma t Inverse Agonists.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 11, Page 528-534, Year 2020
Publish dateFeb 27, 2019 (structure data deposition date)
AuthorsNakajima, R. / Oono, H. / Sugiyama, S. / Matsueda, Y. / Ida, T. / Kakuda, S. / Hirata, J. / Baba, A. / Makino, A. / Matsuyama, R. ...Nakajima, R. / Oono, H. / Sugiyama, S. / Matsueda, Y. / Ida, T. / Kakuda, S. / Hirata, J. / Baba, A. / Makino, A. / Matsuyama, R. / White, R.D. / Wurz, R.P. / Shin, Y. / Min, X. / Guzman-Perez, A. / Wang, Z. / Symons, A. / Singh, S.K. / Mothe, S.R. / Belyakov, S. / Chakrabarti, A. / Shuto, S.
External linksAcs Med. Chem. Lett. / PubMed:32292560
MethodsX-ray diffraction
Resolution2.4 Å
Structure data

PDB-6o3z:
Crystal structure of RORgt with 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide (compound 1)
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-LKY:
3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsPROTEIN BINDING / Retinoic Acid Receptor-Related Orphan Receptor gt / RORgt

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