7DXL

Fragment-based Lead Discovery of Indazole-based Compounds as AXL Kinase Inhibitors

7DXL の概要

• エントリーDOI: 10.2210/pdb7dxl/pdb
• 分子名称: Tyrosine-protein kinase Mer, 3-[4-[6-chloranyl-5-[[(3R)-pyrrolidin-3-yl]amino]-1H-indazol-3-yl]pyrazol-1-yl]benzenecarbonitrile (3 entities in total)
• 機能のキーワード: mer i650m kinase domain, axl kinase inhibitors, fragment based lead discovery, oncoprotein, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 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: 68904.59

構造登録者

Anantharajan, J.,Baburajendran, N. (登録日: 2021-01-19, 公開日: 2021-10-13, 最終更新日: 2023-11-29)

• 主引用文献: Ng, P.S.,Foo, K.,Sim, S.,Wang, G.,Huang, C.,Tan, L.H.,Poulsen, A.,Liu, B.,Tee, D.H.Y.,Ahmad, N.H.B.,Wang, S.,Ke, Z.,Lee, M.A.,Kwek, Z.P.,Joy, J.,Anantharajan, J.,Baburajendran, N.,Pendharkar, V.,Manoharan, V.,Vuddagiri, S.,Sangthongpitag, K.,Hill, J.,Keller, T.H.,Hung, A.W.; Fragment-based lead discovery of indazole-based compounds as AXL kinase inhibitors.; Bioorg.Med.Chem., 49:116437-116437, 2021; PubMed: 34600239; DOI: 10.1016/j.bmc.2021.116437

実験手法

X-RAY DIFFRACTION (3.146 Å)