1SQT

Substituted 2-Naphthamidine Inhibitors of Urokinase

Summary for 1SQT

• Entry DOI: 10.2210/pdb1sqt/pdb
• Related: 1OWD 1OWE 1OWH 1OWI 1OWJ 1OWK 1SQA 1SQO
• Descriptor: Urokinase-type plasminogen activator, 7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NAPHTHALENE-2-CARBOXIMIDAMIDE (3 entities in total)
• Functional Keywords: plasminogen activation, hydrolase, serine protease, glycoprotein, kringle, egf-like domain
• Biological source: Homo sapiens (human)
• Cellular location: Secreted: P00749
• Total number of polymer chains: 1
• Total formula weight: 27966.88

Authors

Wendt, M.D.,Geyer, A.,McClellan, W.J.,Rockway, T.W.,Weitzberg, M.,Zhang, X.,Mantei, R.,Stewart, K.,Nienaber, V.,Klinghofer, V.,Giranda, V.L. (deposition date: 2004-03-19, release date: 2004-04-27, Last modification date: 2024-10-30)

Primary citation

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

Experimental method

X-RAY DIFFRACTION (1.9 Å)