3OT8

X-ray crystal structure of compound 17r bound to human Chk1 kinase domain

Summary for 3OT8

Entry DOI	10.2210/pdb3ot8/pdb
Related	3OT3
Descriptor	Serine/threonine-protein kinase Chk1, N-(3-methylisothiazol-5-yl)-3-(1-methyl-1H-pyrazol-4-yl)-5-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine, GLYCEROL, ... (4 entities in total)
Functional Keywords	kinase, phosphatase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Nucleus: O14757
Total number of polymer chains	1
Total formula weight	32126.01
Authors	Fischmann, T.O. (deposition date: 2010-09-10, release date: 2010-11-10, Last modification date: 2023-09-06)
Primary citation	Dwyer, M.P.,Paruch, K.,Labroli, M.,Alvarez, C.,Keertikar, K.M.,Poker, C.,Rossman, R.,Fischmann, T.O.,Duca, J.S.,Madison, V.,Parry, D.,Davis, N.,Seghezzi, W.,Wiswell, D.,Guzi, T.J. Discovery of pyrazolo[1,5-a]pyrimidine-based CHK1 inhibitors: A template-based approach-Part 1. Bioorg.Med.Chem.Lett., 21:467-470, 2011 Cited by PubMed Abstract: The synthesis and hit-to-lead SAR development of a pyrazolo[1,5-a]pyrimidine hit 4 is described leading to a series of potent, selective CHK1 inhibitors such as compound 17r. In the Letter, the further utility of the pyrazolo[1,5-a]pyrimidine template for the development of potent, selective kinase inhibitors is detailed. PubMed: 21094608 DOI: 10.1016/j.bmcl.2010.10.113 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.6455 Å)

Structure validation