3HAB

The structure of DPP4 in complex with piperidine fused benzimidazole 25

3HAB の概要

• エントリーDOI: 10.2210/pdb3hab/pdb
• 関連するPDBエントリー: 3HAC
• 分子名称: Dipeptidyl peptidase 4 soluble form, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... (6 entities in total)
• 機能のキーワード: alpha/beta, beta-propeller, dimer, hydrolase, diabetes, aminopeptidase, cell membrane, disulfide bond, glycoprotein, membrane, protease, secreted, serine protease, signal-anchor, transmembrane, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 174471.52

構造登録者

Scapin, G. (登録日: 2009-05-01, 公開日: 2009-07-21, 最終更新日: 2023-09-20)

主引用文献

Edmondson, S.D.,Mastracchio, A.,Cox, J.M.,Eiermann, G.J.,He, H.,Lyons, K.A.,Patel, R.A.,Patel, S.B.,Petrov, A.,Scapin, G.,Wu, J.K.,Xu, S.,Zhu, B.,Thornberry, N.A.,Roy, R.S.,Weber, A.E.
Aminopiperidine-fused imidazoles as dipeptidyl peptidase-IV inhibitors
Bioorg.Med.Chem.Lett., 19:4097-4101, 2009

PubMed Abstract: A new series of DPP-4 inhibitors derived from piperidine-fused benzimidazoles and imidazopyridines is described. Optimization of this class of DPP-4 inhibitors led to the discovery of imidazopyridine 34. The potency, selectivity, cross-species DMPK profiles, and in vivo efficacy of 34 is reported.

PubMed: 19539471
DOI: 10.1016/j.bmcl.2009.06.011

実験手法

X-RAY DIFFRACTION (2.1 Å)