5F95

Crystal structure of GSK3b in complex with Compound 18: 2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide

Summary for 5F95

• Entry DOI: 10.2210/pdb5f95/pdb
• Related: 5F94
• Descriptor: Glycogen synthase kinase-3 beta, 2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide (3 entities in total)
• Functional Keywords: gsk3b, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm: P49841
• Total number of polymer chains: 2
• Total formula weight: 80404.48

Authors

Lewis, H.A.,Kish, K.,Luo, G.,Dubowchick, G.M. (deposition date: 2015-12-09, release date: 2016-02-03, Last modification date: 2024-03-06)

• Primary citation: 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.; Discovery of Isonicotinamides as Highly Selective, Brain Penetrable, and Orally Active Glycogen Synthase Kinase-3 Inhibitors.; J.Med.Chem., 59:1041-1051, 2016; PubMed: 26751161; DOI: 10.1021/acs.jmedchem.5b01550

Experimental method

X-RAY DIFFRACTION (2.525 Å)