3SRV

Crystal structure of spleen tyrosine kinase (SYK) in complex with a diaminopyrimidine carboxamide inhibitor

3SRV の概要

• エントリーDOI: 10.2210/pdb3srv/pdb
• 分子名称: Tyrosine-protein kinase SYK, 2-{[(3R,4R)-3-aminotetrahydro-2H-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide, GLYCEROL, ... (5 entities in total)
• 機能のキーワード: sk363, syk, non-receptor tyrosine kinase, spleen tyrosine kinase, transferase, phosphorylation, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human); 詳細
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 65297.18

構造登録者

Somers, D.O.,Neu, M. (登録日: 2011-07-07, 公開日: 2011-09-21, 最終更新日: 2024-11-27)

主引用文献

Liddle, J.,Atkinson, F.L.,Barker, M.D.,Carter, P.S.,Curtis, N.R.,Davis, R.P.,Douault, C.,Dickson, M.C.,Elwes, D.,Garton, N.S.,Gray, M.,Hayhow, T.G.,Hobbs, C.I.,Jones, E.,Leach, S.,Leavens, K.,Lewis, H.D.,McCleary, S.,Neu, M.,Patel, V.K.,Preston, A.G.,Ramirez-Molina, C.,Shipley, T.J.,Skone, P.A.,Smithers, N.,Somers, D.O.,Walker, A.L.,Watson, R.J.,Weingarten, G.G.
Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg.Med.Chem.Lett., 21:6188-6194, 2011

PubMed Abstract: The lead optimisation of the diaminopyrimidine carboxamide series of spleen tyrosine kinase inhibitors is described. The medicinal chemistry strategy was focused on optimising the human whole blood activity whilst achieving a sufficient margin over liability kinases and hERG activity. GSK143 is a potent and highly selective SYK inhibitor showing good efficacy in the rat Arthus model.

PubMed: 21903390
DOI: 10.1016/j.bmcl.2011.07.082

実験手法

X-RAY DIFFRACTION (1.95 Å)