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| Title | Small Molecule Reversible Inhibitors of Bruton's Tyrosine Kinase (BTK): Structure-Activity Relationships Leading to the Identification of 7-(2-Hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxo-3,4-dihydroquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide (BMS-935177). |
|---|---|
| Journal, issue, pages | J. Med. Chem., Vol. 59, Page 7915-7935, Year 2016 |
| Publish date | May 6, 2016 (structure data deposition date) |
 Authors | De Lucca, G.V. / Shi, Q. / Liu, Q. / Batt, D.G. / Beaudoin Bertrand, M. / Rampulla, R. / Mathur, A. / Discenza, L. / D'Arienzo, C. / Dai, J. ...De Lucca, G.V. / Shi, Q. / Liu, Q. / Batt, D.G. / Beaudoin Bertrand, M. / Rampulla, R. / Mathur, A. / Discenza, L. / D'Arienzo, C. / Dai, J. / Obermeier, M. / Vickery, R. / Zhang, Y. / Yang, Z. / Marathe, P. / Tebben, A.J. / Muckelbauer, J.K. / Chang, C.J. / Zhang, H. / Gillooly, K. / Taylor, T. / Pattoli, M.A. / Skala, S. / Kukral, D.W. / McIntyre, K.W. / Salter-Cid, L. / Fura, A. / Burke, J.R. / Barrish, J.C. / Carter, P.H. / Tino, J.A. |
 External links | J. Med. Chem. / PubMed:27531604 |
| Methods | X-ray diffraction |
| Resolution | 1.97 Å |
| Structure data |  PDB-5jrs: |
| Chemicals |  ChemComp-6MV:  ChemComp-HOH: |
| Source |
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 Keywords | TRANSFERASE/TRANSFERASE inhibitor / KINASE / BTK / PROTEIN INHIBITOR COMPLEX / TRANSFERASE-TRANSFERASE inhibitor complex |
homo sapiens (human)