1SQA

Substituted 2-Naphthamidine Inhibitors of Urokinase

1SQA の概要

• エントリーDOI: 10.2210/pdb1sqa/pdb
• 関連するPDBエントリー: 1OWD 1OWE 1OWH 1OWI 1OWJ 1OWK 1SQO 1SQT
• 分子名称: Urokinase-type plasminogen activator, SULFATE ION, 6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-4-(PYRIMIDIN-2-YLAMINO)-2-NAPHTHAMIDE, ... (4 entities in total)
• 機能のキーワード: plasminogen activation, hydrolase, serine protease, glycoprotein, kringle, egf-like domain
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Secreted: P00749
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 28336.17

構造登録者

Wendt, M.D.,Geyer, A.,McClellan, W.J.,Rockway, T.W.,Weitzberg, M.,Zhao, X.,Stewart, K.,Nienaber, V.,Klinghofer, V.,Giranda, V.L. (登録日: 2004-03-18, 公開日: 2004-04-27, 最終更新日: 2024-10-09)

主引用文献

Wendt, M.D.,Geyer, A.,McClellan, W.J.,Rockway, T.W.,Weitzberg, M.,Zhao, X.,Mantei, R.,Stewart, K.,Nienaber, V.,Klinghofer, V.,Giranda, V.L.
Interaction with the S1beta-pocket of urokinase: 8-heterocycle substituted and 6,8-disubstituted 2-naphthamidine urokinase inhibitors.
Bioorg.Med.Chem.Lett., 14:3063-3068, 2004

PubMed Abstract: Several 8-substituted 2-naphthamidine-based inhibitors of the serine protease urokinase plasminogen activator (uPA) are described. Direct attachment of five-membered saturated or unsaturated rings improved inhibitor performance; substitution with sulfones further improved binding profiles. Combination of these substituents or of previously described NH-linked heteroaromatic rings with 6-phenyl amide substituents provided further enhancements to potency and selectivity.

PubMed: 15149645

実験手法

X-RAY DIFFRACTION (2 Å)