3OT3

X-ray crystal structure of compound 22k bound to human Chk1 kinase domain

Summary for 3OT3

• Entry DOI: 10.2210/pdb3ot3/pdb
• Related: 3OT8
• Descriptor: Serine/threonine-protein kinase Chk1, 5-[(1R,3S)-3-aminocyclohexyl]-6-bromo-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (3 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: 31845.51

Authors

Fischmann, T.O. (deposition date: 2010-09-10, release date: 2010-11-10, Last modification date: 2023-09-06)

• Primary citation: Labroli, M.,Paruch, K.,Dwyer, M.P.,Alvarez, C.,Keertikar, K.,Poker, C.,Rossman, R.,Duca, J.S.,Fischmann, T.O.,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 2.; Bioorg.Med.Chem.Lett., 21:471-474, 2011; PubMed: 21094607; DOI: 10.1016/j.bmcl.2010.10.114

Experimental method

X-RAY DIFFRACTION (1.44 Å)