2WOT

ALK5 IN COMPLEX WITH 4-((5,6-dimethyl-2-(2-pyridyl)-3-pyridyl)oxy)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine

2WOT の概要

• エントリーDOI: 10.2210/pdb2wot/pdb
• 関連するPDBエントリー: 1B6C 1IAS 1PY5 1RW8 1VJY 2WOU
• 分子名称: TGF-BETA RECEPTOR TYPE-1, 4-[(5,6-DIMETHYL-2,2'-BIPYRIDIN-3-YL)OXY]-N-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-2-AMINE, 1,2-ETHANEDIOL, ... (4 entities in total)
• 機能のキーワード: alk5, kinase, membrane, receptor, manganese, serine/threonine-protein kinase, kinase inhibitor, disease mutation, craniosynostosis, nucleotide-binding, tgf beta type i receptor, phosphoprotein, disulfide bond, aortic aneurysm, glycoprotein, metal-binding, transmembrane, atp-binding, transferase
• 由来する生物種: HOMO SAPIENS (HUMAN)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 35459.78

構造登録者

Norman, R.A.,Debreczeni, J.E.,Goldberg, F.W.,Ward, R.A.,Finlay, R.,Powell, S.J.,Roberts, N.J.,Dishington, A.P.,Gingell, H.J.,Wickson, K.F.,Roberts, A.L. (登録日: 2009-07-28, 公開日: 2009-09-22, 最終更新日: 2024-05-08)

主引用文献

Goldberg, F.W.,Ward, R.A.,Powell, S.J.,Debreczeni, J.E.,Norman, R.A.,Roberts, N.J.,Dishington, A.P.,Gingell, H.J.,Wickson, K.F.,Roberts, A.L.
Rapid Generation of a High Quality Lead for Transforming Growth Factor-Beta (Tgf-Beta) Type I Receptor (Alk5).
J.Med.Chem., 52:7901-, 2009

PubMed Abstract: A novel class of 4-pyridinoxy-2-anilinopyridine-based TGF-beta type I receptor (also known as activin-like kinase 5 or ALK5) inhibitors is reported. The binding mode of this scaffold was successfully predicted by analyzing possible docked binding modes of literature inhibitors and novel synthetic ideas. Compounds such as 19 are potent ALK5 inhibitors with good physicochemical and pharmacokinetic properties and thus represent high quality leads for further optimization.

PubMed: 19736928
DOI: 10.1021/JM900807W

実験手法

X-RAY DIFFRACTION (1.85 Å)