3OTQ

Soluble Epoxide Hydrolase in complex with pyrazole antagonist

3OTQ の概要

• エントリーDOI: 10.2210/pdb3otq/pdb
• 分子名称: Epoxide hydrolase 2, N-[4-(5-ethyl-3-pyridin-3-yl-1H-pyrazol-1-yl)phenyl]pyridine-3-carboxamide (3 entities in total)
• 機能のキーワード: epoxide hydrolase, hydrolase
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm: P34913
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 63055.04

構造登録者

Farrow, N.A. (登録日: 2010-09-13, 公開日: 2010-10-27, 最終更新日: 2024-02-21)

主引用文献

Lo, H.Y.,Man, C.C.,Fleck, R.W.,Farrow, N.A.,Ingraham, R.H.,Kukulka, A.,Proudfoot, J.R.,Betageri, R.,Kirrane, T.,Patel, U.,Sharma, R.,Hoermann, M.A.,Kabcenell, A.,Lombaert, S.D.
Substituted pyrazoles as novel sEH antagonist: investigation of key binding interactions within the catalytic domain.
Bioorg.Med.Chem.Lett., 20:6379-6383, 2010

PubMed Abstract: A novel series of pyrazole sEH inhibitors is reported. Lead optimization efforts to replace the aniline core are also described. In particular, 2-pyridine, 3-pyridine and pyridazine analogs are potent sEH inhibitors with favorable CYP3A4 inhibitory and microsomal stability profiles.

PubMed: 20934334
DOI: 10.1016/j.bmcl.2010.09.095

実験手法

X-RAY DIFFRACTION (3 Å)