3NW6

Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with a carbon-linked proline isostere inhibitor (11A)

3NW6 の概要

• エントリーDOI: 10.2210/pdb3nw6/pdb
• 関連するPDBエントリー: 3NW5 3NW7
• 分子名称: Insulin-like growth factor 1 receptor, N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2S)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine (3 entities in total)
• 機能のキーワード: hormone/growth factor, igf-1r, kinase domain, transferase
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Membrane; Single-pass type I membrane protein: P08069
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 35473.68

構造登録者

Sack, J.S. (登録日: 2010-07-09, 公開日: 2010-07-28, 最終更新日: 2024-02-21)

主引用文献

Sampognaro, A.J.,Wittman, M.D.,Carboni, J.M.,Chang, C.,Greer, A.F.,Hurlburt, W.W.,Sack, J.S.,Vyas, D.M.
Proline isosteres in a series of 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitors of IGF-1R kinase and IR kinase.
Bioorg.Med.Chem.Lett., 20:5027-5030, 2010

PubMed Abstract: Pyrrolidine, pyrrolidinone, carbocyclic, and acyclic groups were used as isosteric proline replacements in a series of insulin-like growth factor I receptor kinase/insulin receptor kinase inhibitors. Examples that were similar in potency to proline-containing reference compounds were shown to project a key fluoropyridine amide into a common space, while less potent compounds were not able to do so for reasons of stereochemistry or structural rigidity.

PubMed: 20675137
DOI: 10.1016/j.bmcl.2010.07.045

実験手法

X-RAY DIFFRACTION (2.2 Å)