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) |
|---|---|
| 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  Import into Mendeley |
| Experimental method | X-RAY DIFFRACTION (1.5 Å) |
