6AHS

Mouse Kallikrein 7 in complex with imidazolinylindole derivative

6AHS の概要

• エントリーDOI: 10.2210/pdb6ahs/pdb
• 分子名称: Kallikrein-7, 1-[(2-chlorophenyl)sulfonyl]-5-methyl-3-[(4R)-2-methyl-4,5-dihydro-1H-imidazol-4-yl]-1H-indole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... (5 entities in total)
• 機能のキーワード: protease, hydrolase
• 由来する生物種: Mus musculus (Mouse)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 25218.27

構造登録者

Sugawara, H. (登録日: 2018-08-20, 公開日: 2019-01-02, 最終更新日: 2024-11-20)

主引用文献

Murafuji, H.,Muto, T.,Goto, M.,Imajo, S.,Sugawara, H.,Oyama, Y.,Minamitsuji, Y.,Miyazaki, S.,Murai, K.,Fujioka, H.
Discovery and structure-activity relationship of imidazolinylindole derivatives as kallikrein 7 inhibitors.
Bioorg. Med. Chem. Lett., 29:334-338, 2019

PubMed Abstract: A series of imidazolinylindole derivatives were discovered as novel kallikrein 7 (KLK7, stratum corneum chymotryptic enzyme) inhibitors. Structure-activity relationship (SAR) studies led to the identification of potent human KLK7 inhibitors. By further modification of the benzenesulfonyl moiety to overcome species differences in inhibitory activity, potent inhibitors against both human and mouse KLK7 were identified. Furthermore, the complex structure of 25 with mouse KLK7 could explain the SAR and the cause of the species differences in inhibitory activity.

PubMed: 30522951
DOI: 10.1016/j.bmcl.2018.11.011

実験手法

X-RAY DIFFRACTION (1.75 Å)