6VRV

Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model

6VRV の概要

• エントリーDOI: 10.2210/pdb6vrv/pdb
• 分子名称: Serine/threonine-protein kinase pim-1, 4-chloro-1-{(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1H-pyrrolo[2,3-b]pyridine-6-carboxamide, GLYCEROL, ... (4 entities in total)
• 機能のキーワード: inhibitor complex, oncoprotein, transferase-inhibitor complex, transferase/inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 32021.75

構造登録者

Barberis, C.E.,Batchelor, J.D.,Liu, J. (登録日: 2020-02-10, 公開日: 2020-11-04, 最終更新日: 2023-10-11)

主引用文献

Barberis, C.,Erdman, P.,Czekaj, M.,Fire, L.,Pribish, J.,Tserlin, E.,Maniar, S.,Batchelor, J.D.,Liu, J.,Patel, V.F.,Hebert, A.,Levit, M.,Wang, A.,Sun, F.,Huang, S.A.
Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model.
Bioorg.Med.Chem.Lett., 30:127625-127625, 2020

PubMed Abstract: N-substituted azaindoles were discovered as potent pan-PIM inhibitors. Lead optimization, guided by structure and focused on physico-chemical properties allowed us to solve inherent hERG and permeability liabilities, and provided compound 27, which subsequently impacted KG-1 tumor growth in a mouse model.

PubMed: 33096160
DOI: 10.1016/j.bmcl.2020.127625

実験手法

X-RAY DIFFRACTION (1.74 Å)