2QTB

Human dipeptidyl peptidase iv/cd26 in complex with a 4-aryl cyclohexylalanine inhibitor

2QTB の概要

• エントリーDOI: 10.2210/pdb2qtb/pdb
• 関連するPDBエントリー: 2QT9
• 分子名称: Dipeptidyl peptidase 4, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... (7 entities in total)
• 機能のキーワード: alpha/beta, beta-propeller, dimer, aminopeptidase, glycoprotein, hydrolase, membrane, protease, secreted, serine protease, signal-anchor, transmembrane
• 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: 182829.49

構造登録者

Scapin, G. (登録日: 2007-08-01, 公開日: 2007-11-06, 最終更新日: 2024-10-30)

主引用文献

Kaelin, D.E.,Smenton, A.L.,Eiermann, G.J.,He, H.,Leiting, B.,Lyons, K.A.,Patel, R.A.,Patel, S.B.,Petrov, A.,Scapin, G.,Wu, J.K.,Thornberry, N.A.,Weber, A.E.,Duffy, J.L.
4-Arylcyclohexylalanine analogs as potent, selective, and orally active inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 17:5806-5811, 2007

PubMed Abstract: A novel series of 4-arylcyclohexylalanine DPP-4 inhibitors was synthesized and tested for inhibitory activity as well as selectivity over the related proline-specific enzymes DPP-8 and DPP-9. Optimization of this series led to 28 (DPP-4 IC(50)=4.8 nM), which showed an excellent pharmacokinetic profile across several preclinical species. Evaluation of 28 in an oral glucose tolerance test demonstrated that this compound effectively reduced glucose excursion in lean mice.

PubMed: 17851076
DOI: 10.1016/j.bmcl.2007.08.049

実験手法

X-RAY DIFFRACTION (2.25 Å)