4RPV

co-crystal structure of Pim1 with compound 3

Summary for 4RPV

• Entry DOI: 10.2210/pdb4rpv/pdb
• Descriptor: Serine/threonine-protein kinase pim-1, (3S)-1-{6-[5-(2,6-difluorophenyl)-2H-indazol-3-yl]pyrazin-2-yl}piperidin-3-amine (2 entities in total)
• Functional Keywords: pim1, kinase, inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Isoform 2: Cytoplasm. Isoform 1: Cell membrane: P11309
• Total number of polymer chains: 1
• Total formula weight: 46714.64

Authors

Huang, X. (deposition date: 2014-10-31, release date: 2015-02-04, Last modification date: 2024-02-28)

Primary citation

Wang, H.L.,Cee, V.J.,Chavez, F.,Lanman, B.A.,Reed, A.B.,Wu, B.,Guerrero, N.,Lipford, J.R.,Sastri, C.,Winston, J.,Andrews, K.L.,Huang, X.,Lee, M.R.,Mohr, C.,Xu, Y.,Zhou, Y.,Tasker, A.S.
The discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25:834-840, 2015

PubMed Abstract: The three Pim kinases are a small family of serine/threonine kinases regulating several signaling pathways that are fundamental to tumorigenesis. As such, the Pim kinases are a very attractive target for pharmacological inhibition in cancer therapy. Herein, we describe our efforts toward the development of a potent, pan-Pim inhibitor. The synthesis and hit-to-lead SAR development from a 3-(pyrazin-2-yl)-1H-indazole derived hit 2 to the identification of a series of potent, pan-Pim inhibitors such as 13o are described.

PubMed: 25597005
DOI: 10.1016/j.bmcl.2014.12.068

Experimental method

X-RAY DIFFRACTION (3.05 Å)