5MHP

Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity

5MHP の概要

• エントリーDOI: 10.2210/pdb5mhp/pdb
• 分子名称: Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, PHOSPHATE ION, 2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile, ... (12 entities in total)
• 機能のキーワード: atx, inhibitor, enpp2, hydrolase
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Secreted : Q13822
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 102845.24

構造登録者

Fleury, D.,Mueller, I.,Lamers, M.,Triballeau, N.,Mollat, P.,Vercheval, L. (登録日: 2016-11-25, 公開日: 2017-08-30, 最終更新日: 2024-01-17)

• 主引用文献: Desroy, N.,Housseman, C.,Bock, X.,Joncour, A.,Bienvenu, N.,Cherel, L.,Labeguere, V.,Rondet, E.,Peixoto, C.,Grassot, J.M.,Picolet, O.,Annoot, D.,Triballeau, N.,Monjardet, A.,Wakselman, E.,Roncoroni, V.,Le Tallec, S.,Blanque, R.,Cottereaux, C.,Vandervoort, N.,Christophe, T.,Mollat, P.,Lamers, M.,Auberval, M.,Hrvacic, B.,Ralic, J.,Oste, L.,van der Aar, E.,Brys, R.,Heckmann, B.; Discovery of 2-[[2-Ethyl-6-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]methylamino]-4-(4-fluorophenyl)thiazole-5-carbonitrile (GLPG1690), a First-in-Class Autotaxin Inhibitor Undergoing Clinical Evaluation for the Treatment of Idiopathic Pulmonary Fibrosis.; J. Med. Chem., 60:3580-3590, 2017; PubMed: 28414242; DOI: 10.1021/acs.jmedchem.7b00032

実験手法

X-RAY DIFFRACTION (2.43 Å)