6P5M

Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Anti-Tumor Agent

6P5M の概要

• エントリーDOI: 10.2210/pdb6p5m/pdb
• 分子名称: Rho-associated protein kinase 2, 6-(5-methyl-1H-pyrazol-4-yl)-2-[(pyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4(3H)-one (3 entities in total)
• 機能のキーワード: kinase, inhibitor, oral, anti-tumor, transferase-transferase inhibitor, 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: 4
• 化学式量合計: 185500.72

構造登録者

Hoffman, I.D.,Skene, R.J. (登録日: 2019-05-30, 公開日: 2020-01-15, 最終更新日: 2023-10-11)

• 主引用文献: Kurasawa, O.,Miyazaki, T.,Homma, M.,Oguro, Y.,Imada, T.,Uchiyama, N.,Iwai, K.,Yamamoto, Y.,Ohori, M.,Hara, H.,Sugimoto, H.,Iwata, K.,Skene, R.,Hoffman, I.,Ohashi, A.,Nomura, T.,Cho, N.; Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 Inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Antitumor Agent.; J.Med.Chem., 63:1084-1104, 2020; PubMed: 31895562; DOI: 10.1021/acs.jmedchem.9b01427

実験手法

X-RAY DIFFRACTION (2.65 Å)