3PSB

Furo[2,3-c]pyridine-based Indanone Oximes as Potent and Selective B-Raf Inhibitors

3PSB の概要

• エントリーDOI: 10.2210/pdb3psb/pdb
• 関連するPDBエントリー: 3D4Q 3PSD
• 分子名称: B-RAF PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE, ethyl 3-{[1-(hydroxyamino)-2H-inden-5-yl]amino}thieno[2,3-c]pyridine-2-carboxylate (2 entities in total)
• 機能のキーワード: kinase, atp-binding, cardiomyopathy, disease mutation, metal-binding, nucleotide-binding, phorbol-ester binding, phosphoprotein, proto-oncogene, serine/threonine-protein kinase, zinc-finger, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Nucleus : P15056
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 71170.11

構造登録者

Morales, T.,Vigers, G.P.A.,Brandhuber, B.J. (登録日: 2010-12-01, 公開日: 2011-01-19, 最終更新日: 2023-09-06)

主引用文献

Buckmelter, A.J.,Ren, L.,Laird, E.R.,Rast, B.,Miknis, G.,Wenglowsky, S.,Schlachter, S.,Welch, M.,Tarlton, E.,Grina, J.,Lyssikatos, J.,Brandhuber, B.J.,Morales, T.,Randolph, N.,Vigers, G.,Martinson, M.,Callejo, M.
The Discovery of furo[2,3-c]pyridine-based indanone oximes as potent and selective B-Raf inhibitors.
Bioorg.Med.Chem.Lett., 21:1248-1252, 2011

PubMed Abstract: Virtual and high-throughput screening identified imidazo[1,2-a]pyrazines as inhibitors of B-Raf. We describe the rationale, SAR, and evolution of the initial hits to a series of furo[2,3-c]pyridine indanone oximes as highly potent and selective inhibitors of B-Raf.

PubMed: 21211972
DOI: 10.1016/j.bmcl.2010.12.039

実験手法

X-RAY DIFFRACTION (3.4 Å)