8DJE

CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 3-[(CYCLOPROPYLMETHYL)AMINO] -N-(4-PHENYLPYRIDIN-3-YL)IMIDAZO[1,2-B]PYRIDAZINE-8-CARBOX AMIDE

Summary for 8DJE

• Entry DOI: 10.2210/pdb8dje/pdb
• Descriptor: Glycogen synthase kinase-3 beta, (4S)-3-[(cyclopropylmethyl)amino]-N-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamide (3 entities in total)
• Functional Keywords: kinase, gsk3b, transferase-transferase inhibitor complex, transferase, transferase-inhibitor complex, transferase/inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 99358.52

Authors

Lewis, H.A.,Muckelbauer, J.K. (deposition date: 2022-06-30, release date: 2023-03-22, Last modification date: 2023-04-05)

• Primary citation: Hartz, R.A.,Ahuja, V.T.,Sivaprakasam, P.,Xiao, H.,Krause, C.M.,Clarke, W.J.,Kish, K.,Lewis, H.,Szapiel, N.,Ravirala, R.,Mutalik, S.,Nakmode, D.,Shah, D.,Burton, C.R.,Macor, J.E.,Dubowchik, G.M.; Design, Structure-Activity Relationships, and In Vivo Evaluation of Potent and Brain-Penetrant Imidazo[1,2- b ]pyridazines as Glycogen Synthase Kinase-3 beta (GSK-3 beta ) Inhibitors.; J.Med.Chem., 66:4231-4252, 2023; PubMed: 36950863; DOI: 10.1021/acs.jmedchem.3c00133

Experimental method

X-RAY DIFFRACTION (2.374 Å)