5U7R

Identification of A New Class of Potent Cdc7 Inhibitors Designed by Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-d]pyrimidin-4(1H)-ones

5U7R の概要

• エントリーDOI: 10.2210/pdb5u7r/pdb
• 関連するPDBエントリー: 5U7Q
• 分子名称: Rho-associated protein kinase 2, (1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1H-pyrazol-4-yl)-1'H-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'H)-one (3 entities in total)
• 機能のキーワード: serine/threonine kinase, apo-protein, transferase
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm: O75116
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 183316.50

構造登録者

Hoffman, I.D.,Skene, R.J. (登録日: 2016-12-12, 公開日: 2017-03-29, 最終更新日: 2024-03-06)

• 主引用文献: Kurasawa, O.,Oguro, Y.,Miyazaki, T.,Homma, M.,Mori, K.,Iwai, K.,Hara, H.,Skene, R.,Hoffman, I.,Ohashi, A.,Yoshida, S.,Ishikawa, T.,Cho, N.; Identification of a new class of potent Cdc7 inhibitors designed by putative pharmacophore model: Synthesis and biological evaluation of 2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-ones.; Bioorg. Med. Chem., 25:2133-2147, 2017; PubMed: 28284870; DOI: 10.1016/j.bmc.2017.02.021

実験手法

X-RAY DIFFRACTION (3.33 Å)