7AW2
MerTK kinase domain with type 1.5 inhibitor from a DNA-encoded library
7AW2 の概要
エントリーDOI | 10.2210/pdb7aw2/pdb |
分子名称 | Tyrosine-protein kinase Mer, 5-(2'-chloro-[1,1'-biphenyl]-4-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine (3 entities in total) |
機能のキーワード | tyrosine kinase, inhibitor, type1.5 kinase inhibitor, structure-based drug design, dna-encoded library, oncology, signaling protein |
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 | 34797.63 |
構造登録者 | Schimpl, M.,Nissink, J.W.M.,Blackett, C.,Goldberg, K.,Hennessy, E.J.,Hardaker, E.,McCoull, W.,McMurray, L.,Collingwood, O.,Overman, R.,Pflug, A.,Preston, M.,Rawlins, P.,Rivers, E.,Smith, P.,Underwood, E.,Truman, C.,Warwicker, J.,Winter, J.,Woodcock, S. (登録日: 2020-11-06, 公開日: 2021-03-03, 最終更新日: 2024-05-01) |
主引用文献 | Nissink, J.W.M.,Bazzaz, S.,Blackett, C.,Clark, M.A.,Collingwood, O.,Disch, J.S.,Gikunju, D.,Goldberg, K.,Guilinger, J.P.,Hardaker, E.,Hennessy, E.J.,Jetson, R.,Keefe, A.D.,McCoull, W.,McMurray, L.,Olszewski, A.,Overman, R.,Pflug, A.,Preston, M.,Rawlins, P.B.,Rivers, E.,Schimpl, M.,Smith, P.,Truman, C.,Underwood, E.,Warwicker, J.,Winter-Holt, J.,Woodcock, S.,Zhang, Y. Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64:3165-3184, 2021 Cited by PubMed: 33683117DOI: 10.1021/acs.jmedchem.0c01904 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (2.1 Å) |
構造検証レポート
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