5WHR

Discovery of a novel and selective IDO-1 inhibitor PF-06840003 and its characterization as a potential clinical candidate.

5WHR の概要

• エントリーDOI: 10.2210/pdb5whr/pdb
• 分子名称: Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, (3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, ... (4 entities in total)
• 機能のキーワード: cancer immunotherapy, small molecule inhibitor, oxidoreductase, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm, cytosol : P14902
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 90033.00

構造登録者

Greasley, S.E.,Kaiser, S.E.,Feng, J.L.,Stewart, A. (登録日: 2017-07-18, 公開日: 2017-12-27)

• 主引用文献: Crosignani, S.,Bingham, P.,Bottemanne, P.,Cannelle, H.,Cauwenberghs, S.,Cordonnier, M.,Dalvie, D.,Deroose, F.,Feng, J.L.,Gomes, B.,Greasley, S.,Kaiser, S.E.,Kraus, M.,Negrerie, M.,Maegley, K.,Miller, N.,Murray, B.W.,Schneider, M.,Soloweij, J.,Stewart, A.E.,Tumang, J.,Torti, V.R.,Van Den Eynde, B.,Wythes, M.; Discovery of a Novel and Selective Indoleamine 2,3-Dioxygenase (IDO-1) Inhibitor 3-(5-Fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (EOS200271/PF-06840003) and Its Characterization as a Potential Clinical Candidate.; J. Med. Chem., 60:9617-9629, 2017; PubMed: 29111717; DOI: 10.1021/acs.jmedchem.7b00974

実験手法

X-RAY DIFFRACTION (2.28 Å)