1SQA

Substituted 2-Naphthamidine Inhibitors of Urokinase

Summary for 1SQA

• Entry DOI: 10.2210/pdb1sqa/pdb
• Related: 1OWD 1OWE 1OWH 1OWI 1OWJ 1OWK 1SQO 1SQT
• Descriptor: 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)
• 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: 28336.17

Authors

Wendt, M.D.,Geyer, A.,McClellan, W.J.,Rockway, T.W.,Weitzberg, M.,Zhao, X.,Stewart, K.,Nienaber, V.,Klinghofer, V.,Giranda, V.L. (deposition date: 2004-03-18, release date: 2004-04-27, Last modification date: 2024-10-09)

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 (2 Å)