5NB6

Complement factor D in complex with the inhibitor (2S,4S)-4-Amino-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide]

5NB6 の概要

• エントリーDOI: 10.2210/pdb5nb6/pdb
• 分子名称: Complement factor D, (2~{S},4~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide (3 entities in total)
• 機能のキーワード: hydrolase
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Secreted: P00746
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 25229.56

構造登録者

Mac Sweeney, A.,Ostermann, N. (登録日: 2017-03-01, 公開日: 2017-06-28, 最終更新日: 2017-07-26)

• 主引用文献: Lorthiois, E.,Anderson, K.,Vulpetti, A.,Rogel, O.,Cumin, F.,Ostermann, N.,Steinbacher, S.,Mac Sweeney, A.,Delgado, O.,Liao, S.M.,Randl, S.,Rudisser, S.,Dussauge, S.,Fettis, K.,Kieffer, L.,de Erkenez, A.,Yang, L.,Hartwieg, C.,Argikar, U.A.,La Bonte, L.R.,Newton, R.,Kansara, V.,Flohr, S.,Hommel, U.,Jaffee, B.,Maibaum, J.; Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.; J. Med. Chem., 60:5717-5735, 2017; PubMed: 28621538; DOI: 10.1021/acs.jmedchem.7b00425

実験手法

X-RAY DIFFRACTION (1.75 Å)