6OVA

Crystal Structure of TYK2 with novel pyrrolidinone inhibitor

6OVA の概要

• エントリーDOI: 10.2210/pdb6ova/pdb
• 分子名称: Non-receptor tyrosine-protein kinase TYK2, 6-({4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]pyridin-2-yl}amino)-N,N-dimethylpyridine-3-carboxamide (3 entities in total)
• 機能のキーワード: inhibitor, complex, transferase-transferase inhibitor complex, transferase/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: 35235.30

構造登録者

Skene, R.J.,Hoffman, I.D. (登録日: 2019-05-07, 公開日: 2020-02-12, 最終更新日: 2024-03-13)

主引用文献

Sasaki, Y.,Tokuhara, H.,Ohba, Y.,Okabe, A.,Nakayama, M.,Nakagawa, H.,Skene, R.,Hoffman, I.,Zou, H.,Yoshida, M.
Efficient synthesis of tert-butyl 3-cyano-3-cyclopropyl-2-oxopyrrolidine-4-carboxylates: Highly functionalized 2-pyrrolidinone enabling access to novel macrocyclic Tyk2 inhibitors.
Bioorg.Med.Chem.Lett., 30:126963-126963, 2020

PubMed Abstract: Herein we report an efficient method for the synthesis of a highly functionalized 2-pyrrolidinone, tert-butyl 3-cyano-3-cyclopropyl-2-oxopyrrolidine-4-carboxylate, from readily available starting materials. Utility of this compound was demonstrated in the synthesis of a novel series of macrocyclic Tyk2 inhibitors, leading to the identification of a potent and selective macrocyclic Tyk2 inhibitor (26).

PubMed: 31980341
DOI: 10.1016/j.bmcl.2020.126963

実験手法

X-RAY DIFFRACTION (2.5 Å)