5XST

novel orally efficacious inhibitors complexed with PARP1

5XST の概要

• エントリーDOI: 10.2210/pdb5xst/pdb
• 分子名称: Poly [ADP-ribose] polymerase 1, 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, SULFATE ION, ... (4 entities in total)
• 機能のキーワード: complex structure, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Nucleus : P09874
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 39567.20

構造登録者

Liu, Q.,Xu, Y. (登録日: 2017-06-15, 公開日: 2018-04-25, 最終更新日: 2023-11-22)

• 主引用文献: Chen, X.,Huan, X.,Liu, Q.,Wang, Y.,He, Q.,Tan, C.,Chen, Y.,Ding, J.,Xu, Y.,Miao, Z.,Yang, C.; Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors; Eur J Med Chem, 145:389-403, 2018; PubMed: 29335205; DOI: 10.1016/j.ejmech.2018.01.018

実験手法

X-RAY DIFFRACTION (2.3 Å)