PDBsum entry 3ig6

Hydrolase

PDB id: 3ig6

Contents

Protein chains

245 a.a.

Ligands

CYS-GLY-GLN

LYS-PHE-GLN-CYS-GLY-GLN-LYS-THR-LEU

438 ×2

PO4

Waters ×227

References listed in PDB file

Key reference

• Title: Identification of orally bioavailable, Non-Amidine inhibitors of urokinase plasminogen activator (upa).
• Authors: C.W.West, M.Adler, D.Arnaiz, D.Chen, K.Chu, G.Gualtieri, E.Ho, C.Huwe, D.Light, G.Phillips, R.Pulk, D.Sukovich, M.Whitlow, S.Yuan, J.Bryant.
• Ref.: Bioorg Med Chem Lett, 2009, 19, 5712-5715.
• PubMed id: 19703768

Abstract

In this Letter we report the synthesis and evaluation of a series of non-amidine inhibitors of Urokinase Plasminogen Activator (uPA). Starting from compound 1, a significant change provided compounds in which the amidine, binding in the S1 pocket, was replaced with a primary amine. Further modifications led to the identification of potent, selective, and orally bioavailable uPA inhibitors.