5BVW

Fragment-based discovery of potent and selective DDR1/2 inhibitors

5BVW の概要

• エントリーDOI: 10.2210/pdb5bvw/pdb
• 分子名称: Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, ... (4 entities in total)
• 機能のキーワード: ddr1, fragments, transferase
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Isoform 1: Cell membrane; Single-pass type I membrane protein. Isoform 2: Cell membrane; Single-pass type I membrane protein. Isoform 3: Secreted . Isoform 4: Cell membrane; Single-pass type I membrane protein: Q08345
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 37939.02

構造登録者

Murray, C.,Berdini, V.,Buck, I.,Carr, M.,Cleasby, A.,Coyle, J.,Curry, J.,Day, J.,Hearn, K.,Iqbal, A.,Lee, L.,Martins, V.,Mortenson, P.,Munck, J.,Page, L.,Patel, S.,Roomans, S.,Kirsten, T.,Saxty, G. (登録日: 2015-06-05, 公開日: 2015-08-05)

• 主引用文献: Murray, C.W.,Berdini, V.,Buck, I.M.,Carr, M.E.,Cleasby, A.,Coyle, J.E.,Curry, J.E.,Day, J.E.,Day, P.J.,Hearn, K.,Iqbal, A.,Lee, L.Y.,Martins, V.,Mortenson, P.N.,Munck, J.M.,Page, L.W.,Patel, S.,Roomans, S.,Smith, K.,Tamanini, E.,Saxty, G.; Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.; Acs Med.Chem.Lett., 6:798-803, 2015; PubMed: 26191369; DOI: 10.1021/acsmedchemlett.5b00143

実験手法

X-RAY DIFFRACTION (1.94 Å)