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Title | Rationally Designed, Conformationally Constrained Inverse Agonists of ROR gamma t-Identification of a Potent, Selective Series with Biologic-Like in Vivo Efficacy. |
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Journal, issue, pages | J. Med. Chem., Vol. 62, Page 9931-9946, Year 2019 |
Publish date | Aug 19, 2019 (structure data deposition date) |
Authors | Marcoux, D. / Duan, J.J. / Shi, Q. / Cherney, R.J. / Srivastava, A.S. / Cornelius, L. / Batt, D.G. / Liu, Q. / Beaudoin-Bertrand, M. / Weigelt, C.A. ...Marcoux, D. / Duan, J.J. / Shi, Q. / Cherney, R.J. / Srivastava, A.S. / Cornelius, L. / Batt, D.G. / Liu, Q. / Beaudoin-Bertrand, M. / Weigelt, C.A. / Khandelwal, P. / Vishwakrishnan, S. / Selvakumar, K. / Karmakar, A. / Gupta, A.K. / Basha, M. / Ramlingam, S. / Manjunath, N. / Vanteru, S. / Karmakar, S. / Maddala, N. / Vetrichelvan, M. / Gupta, A. / Rampulla, R.A. / Mathur, A. / Yip, S. / Li, P. / Wu, D.R. / Khan, J. / Ruzanov, M. / Sack, J.S. / Wang, J. / Yarde, M. / Cvijic, M.E. / Li, S. / Shuster, D.J. / Borowski, V. / Xie, J.H. / McIntyre, K.W. / Obermeier, M.T. / Fura, A. / Stefanski, K. / Cornelius, G. / Hynes Jr., J. / Tino, J.A. / Macor, J.E. / Salter-Cid, L. / Denton, R. / Zhao, Q. / Carter, P.H. / Dhar, T.G.M. |
External links | J. Med. Chem. / PubMed:31638797 |
Methods | X-ray diffraction |
Resolution | 2.61 Å |
Structure data | PDB-6u25: |
Chemicals | ChemComp-O5B: ChemComp-GOL: ChemComp-HOH: |
Source |
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Keywords | TRANSFERASE/TRANSFERASE INHIBITOR / RORGT / NUCLEAR HORMONE RECEPTOR / LIGAND-BINDING DOMAIN / INVERSE AGONIST / TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX / TRANSFERASE |