5U6I
Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity
Summary for 5U6I
Entry DOI | 10.2210/pdb5u6i/pdb |
Descriptor | 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) |
Functional Keywords | mli-2, lrrk2, kinase inhibitor, kinase selectivity, parkinson's disease, transferase, serine/ threonine-protein kinase, map kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Rattus norvegicus (Rat) |
Cellular location | Cytoplasm, cytoskeleton, spindle : P63086 |
Total number of polymer chains | 1 |
Total formula weight | 43084.36 |
Authors | 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. (deposition date: 2016-12-08, release date: 2017-03-15, Last modification date: 2023-10-04) |
Primary citation | 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 Cited by PubMed: 28245354DOI: 10.1021/acs.jmedchem.7b00045 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.69 Å) |
Structure validation
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