8SIV

Structure of Compound 2 bound to the CHK1 10-point mutant

Summary for 8SIV

• Entry DOI: 10.2210/pdb8siv/pdb
• Descriptor: Serine/threonine-protein kinase Chk1, N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)cyclopropanecarboxamide (3 entities in total)
• Functional Keywords: lrrk2, parkinson's, kinase, transferase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 34524.15

Authors

Palte, R.L. (deposition date: 2023-04-17, release date: 2023-11-01, Last modification date: 2023-11-15)

• Primary citation: Kattar, S.D.,Gulati, A.,Margrey, K.A.,Keylor, M.H.,Ardolino, M.,Yan, X.,Johnson, R.,Palte, R.L.,McMinn, S.E.,Nogle, L.,Su, J.,Xiao, D.,Piesvaux, J.,Lee, S.,Hegde, L.G.,Woodhouse, J.D.,Faltus, R.,Moy, L.Y.,Xiong, T.,Ciaccio, P.J.,Pearson, K.,Patel, M.,Otte, K.M.,Leyns, C.E.G.,Kennedy, M.E.,Bennett, D.J.,DiMauro, E.F.,Fell, M.J.,Fuller, P.H.; Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease.; J.Med.Chem., 66:14912-14927, 2023; PubMed: 37861679; DOI: 10.1021/acs.jmedchem.3c01486

Experimental method

X-RAY DIFFRACTION (1.759 Å)