5TR6

Discovery of TAK-659, an Orally Available Investigational Inhibitor of Spleen Tyrosine Kinase (SYK)

Summary for 5TR6

Related5TT7
DescriptorTyrosine-protein kinase SYK, 6-{[(1R,2S)-2-aminocyclohexyl]amino}-7-fluoro-4-(1-methyl-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one, 1,2-ETHANEDIOL, ... (4 entities in total)
Functional Keywordsinhibitor, kinase, leukemia, lymphoma, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (Human)
Cellular locationCell membrane  P43405
Total number of polymer chains1
Total molecular weight34104.29
Authors
Yano, J.,Jennings, A.,Lam, B.,Hoffman, I.D. (deposition date: 2016-10-25, release date: 2016-11-30, Last modification date: 2017-11-22)
Primary citation
Lam, B.,Arikawa, Y.,Cramlett, J.,Dong, Q.,de Jong, R.,Feher, V.,Grimshaw, C.E.,Farrell, P.J.,Hoffman, I.D.,Jennings, A.,Jones, B.,Matuszkiewicz, J.,Miura, J.,Miyake, H.,Natala, S.R.,Shi, L.,Takahashi, M.,Taylor, E.,Wyrick, C.,Yano, J.,Zalevsky, J.,Nie, Z.
Discovery of TAK-659 an orally available investigational inhibitor of Spleen Tyrosine Kinase (SYK).
Bioorg. Med. Chem. Lett., 26:5947-5950, 2016
PubMed: 27839918 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2016.10.087
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.93 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.22200.4%0.4%10.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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