5LGO

Trypsin inhibitors for the treatment of pancreatitis - cpd 15

5LGO の概要

• エントリーDOI: 10.2210/pdb5lgo/pdb
• 分子名称: Cationic trypsin, DIMETHYL SULFOXIDE, CALCIUM ION, ... (5 entities in total)
• 機能のキーワード: s1 protease, complex, inhibitor, pancreatitis, hydrolase
• 由来する生物種: Bos taurus (Bovine)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 23951.11

構造登録者

Schiering, N.,D'Arcy, A. (登録日: 2016-07-07, 公開日: 2016-08-10, 最終更新日: 2024-11-20)

主引用文献

Brandl, T.,Simic, O.,Skaanderup, P.R.,Namoto, K.,Berst, F.,Ehrhardt, C.,Schiering, N.,Mueller, I.,Woelcke, J.
Trypsin inhibitors for the treatment of pancreatitis.
Bioorg.Med.Chem.Lett., 26:4340-4344, 2016

PubMed Abstract: Proline-based trypsin inhibitors occupying the S1-S2-S1' region were identified by an HTS screening campaign. It was discovered that truncation of the P1' moiety and appropriate extension into the S4 region led to highly potent trypsin inhibitors with excellent selectivity against related serine proteases and a favorable hERG profile.

PubMed: 27476144
DOI: 10.1016/j.bmcl.2016.07.029

実験手法

X-RAY DIFFRACTION (1.12 Å)