5TEL

Pim-1 kinase in complex with a 7-azaindole

5TEL の概要

• エントリーDOI: 10.2210/pdb5tel/pdb
• 分子名称: Serine/threonine-protein kinase pim-1, IMIDAZOLE, 4-chloro-2-{5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indol-3-yl}-1H-pyrrolo[2,3-b]pyridine, ... (4 entities in total)
• 機能のキーワード: kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Isoform 2: Cytoplasm. Isoform 1: Cell membrane: P11309
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 32127.92

構造登録者

Mechin, I.,Wang, R.,Batchelor, J.D. (登録日: 2016-09-22, 公開日: 2017-10-11, 最終更新日: 2024-11-13)

主引用文献

Barberis, C.,Moorcroft, N.,Arendt, C.,Levit, M.,Moreno-Mazza, S.,Batchelor, J.,Mechin, I.,Majid, T.
Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I.
Bioorg. Med. Chem. Lett., 27:4730-4734, 2017

PubMed Abstract: Novel N-substituted azaindoles have been discovered as PIM1 inhibitors. X-ray structures have played a significant role in orienting the chemistry effort in the initial phase of hit confirmation. Disclosure of an unconventional binding mode for 1 and 2, as demonstrated by X-ray crystallography, is presented and was an important factor in selecting and advancing a lead series.

PubMed: 28947155
DOI: 10.1016/j.bmcl.2017.08.069

実験手法

X-RAY DIFFRACTION (2.214 Å)