Summary for 5T18
Descriptor | Tyrosine-protein kinase BTK, 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 (3 entities in total) |
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Functional Keywords | kinase, btk, atk, xla, psctk1, agmx1, at, imd1, mgc126261, mgc126262 bpk, ----, transferase |
Biological source | Homo sapiens (Human) |
Cellular location | Cytoplasm Q06187 |
Total number of polymer chains | 1 |
Total molecular weight | 31776.51 |
Authors | |
Primary citation | 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.,Zhang, Y.,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. 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. J. Med. Chem., 59:9173-9200, 2016 PubMed: 27583770 (PDB entries with the same primary citation) DOI: 10.1021/acs.jmedchem.6b01088 ![]() |
Experimental method | X-RAY DIFFRACTION (1.5 Å) |