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TitleDiscovery of Isonicotinamides as Highly Selective, Brain Penetrable, and Orally Active Glycogen Synthase Kinase-3 Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 59, Page 1041-1051, Year 2016
Publish dateDec 9, 2015 (structure data deposition date)
AuthorsLuo, G. / Chen, L. / Burton, C.R. / Xiao, H. / Sivaprakasam, P. / Krause, C.M. / Cao, Y. / Liu, N. / Lippy, J. / Clarke, W.J. ...Luo, G. / Chen, L. / Burton, C.R. / Xiao, H. / Sivaprakasam, P. / Krause, C.M. / Cao, Y. / Liu, N. / Lippy, J. / Clarke, W.J. / Snow, K. / Raybon, J. / Arora, V. / Pokross, M. / Kish, K. / Lewis, H.A. / Langley, D.R. / Macor, J.E. / Dubowchik, G.M.
External linksJ. Med. Chem. / PubMed:26751161
MethodsX-ray diffraction
Resolution2.51 - 2.525 Å
Structure data

PDB-5f94:
Crystal structure of GSK3b in complex with Compound 15: 2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 2.51 Å

PDB-5f95:
Crystal structure of GSK3b in complex with Compound 18: 2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 2.525 Å

Chemicals

ChemComp-3UO:
2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide

ChemComp-HOH:
WATER

ChemComp-3UP:
2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / GSK3b / TRANSFERASE-TRANSFERASE INHIBITOR complex

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