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Title | Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton's Tyrosine Kinase (BTK) Conformationally Constrained by Two Locked Atropisomers. |
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Journal, issue, pages | J. Med. Chem., Vol. 59, Page 9173-9200, Year 2016 |
Publish date | Aug 18, 2016 (structure data deposition date) |
![]() | Watterson, S.H. / De Lucca, G.V. / Shi, Q. / Langevine, C.M. / Liu, Q. / Batt, D.G. / Beaudoin Bertrand, M. / Gong, H. / Dai, J. / Yip, S. ...Watterson, S.H. / De Lucca, G.V. / Shi, Q. / Langevine, C.M. / Liu, Q. / Batt, D.G. / Beaudoin Bertrand, M. / Gong, H. / Dai, J. / Yip, S. / Li, P. / Sun, D. / Wu, D.R. / Wang, C. / Zhang, Y. / Traeger, S.C. / Pattoli, M.A. / Skala, S. / Cheng, L. / Obermeier, M.T. / Vickery, R. / Discenza, L.N. / D'Arienzo, C.J. / Heimrich, E. / Gillooly, K.M. / Taylor, T.L. / Pulicicchio, C. / McIntyre, K.W. / Galella, M.A. / Tebben, A.J. / Muckelbauer, J.K. / Chang, C. / Rampulla, R. / Mathur, A. / Salter-Cid, L. / Barrish, J.C. / Carter, P.H. / Fura, A. / Burke, J.R. / Tino, J.A. |
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Methods | X-ray diffraction |
Resolution | 1.5 Å |
Structure data | ![]() PDB-5t18: |
Chemicals | ![]() ChemComp-73T: ![]() ChemComp-HOH: |
Source |
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![]() | TRANSFERASE / KINASE / BTK / ATK / XLA / PSCTK1 / AGMX1 / AT / IMD1 / MGC126261 / MGC126262 BPK / ---- |