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)
Summary for 6O3Z
Entry DOI | 10.2210/pdb6o3z/pdb |
Descriptor | RAR-related orphan receptor C isoform a variant, 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide, 1,2-ETHANEDIOL, ... (4 entities in total) |
Functional Keywords | retinoic acid receptor-related orphan receptor gt, rorgt, protein binding |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 32036.99 |
Authors | |
Primary citation | 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. Discovery of [1,2,4]Triazolo[1,5-a]pyridine Derivatives as Potent and Orally Bioavailable ROR gamma t Inverse Agonists. Acs Med.Chem.Lett., 11:528-534, 2020 Cited by PubMed: 32292560DOI: 10.1021/acsmedchemlett.9b00649 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.4 Å) |
Structure validation
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