5U6I

Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity

5U6I の概要

• エントリーDOI: 10.2210/pdb5u6i/pdb
• 分子名称: Mitogen-activated protein kinase 1, 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, SULFATE ION, ... (4 entities in total)
• 機能のキーワード: mli-2, lrrk2, kinase inhibitor, kinase selectivity, parkinson's disease, transferase, serine/ threonine-protein kinase, map kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Rattus norvegicus (Rat)
• 細胞内の位置: Cytoplasm, cytoskeleton, spindle : P63086
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 43084.36

構造登録者

Scott, J.D.,DeMong, D.E.,Fell, M.J.,Mirescu, C.,Basu, K.,Greshock, T.J.,Morrow, J.A.,Xiao, L.,Hruza, A.,Harris, J.,Tiscia, H.E.,Chang, R.K.,Embrey, M.W.,McCauley, J.A.,Li, W.,Lin, S.,Liu, H.,Dai, X.,Baptista, M.,Agnihotri, G.,Columbus, J.,Mei, H.,Poirier, M.,Zhou, X.,Lin, Y.,Yin, Z.,Sanders, J.M.,Drolet, R.E.,Kern, J.T.,Kennedy, M.E.,Parker, E.M.,Stamford, A.W.,Nargund, R.,Miller, M.W. (登録日: 2016-12-08, 公開日: 2017-03-15, 最終更新日: 2023-10-04)

• 主引用文献: Scott, J.D.,DeMong, D.E.,Greshock, T.J.,Basu, K.,Dai, X.,Harris, J.,Hruza, A.,Li, S.W.,Lin, S.I.,Liu, H.,Macala, M.K.,Hu, Z.,Mei, H.,Zhang, H.,Walsh, P.,Poirier, M.,Shi, Z.C.,Xiao, L.,Agnihotri, G.,Baptista, M.A.,Columbus, J.,Fell, M.J.,Hyde, L.A.,Kuvelkar, R.,Lin, Y.,Mirescu, C.,Morrow, J.A.,Yin, Z.,Zhang, X.,Zhou, X.,Chang, R.K.,Embrey, M.W.,Sanders, J.M.,Tiscia, H.E.,Drolet, R.E.,Kern, J.T.,Sur, S.M.,Renger, J.J.,Bilodeau, M.T.,Kennedy, M.E.,Parker, E.M.,Stamford, A.W.,Nargund, R.,McCauley, J.A.,Miller, M.W.; Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity.; J. Med. Chem., 60:2983-2992, 2017; PubMed: 28245354; DOI: 10.1021/acs.jmedchem.7b00045

実験手法

X-RAY DIFFRACTION (1.69 Å)