1mue: Difference between revisions

Revision as of 01:43, 3 May 2008

Thrombin-Hirugen-L405,426

OverviewOverview

In this manuscript we demonstrate that a modification principally directed toward the improvement of the aqueous solubility (i.e., introduction a P3 pyridine N-oxide) of the previous lead compound afforded a new series of potent orally bioavailable P1 N-benzylamide thrombin inhibitors. An expedited investigation of the P1 SAR with respect to oral bioavailability, plasma half-life, and human liver microsome stability revealed 5 as the best candidate for advanced evaluation.

About this StructureAbout this Structure

1MUE is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.

ReferenceReference

Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides., Burgey CS, Robinson KA, Lyle TA, Nantermet PG, Selnick HG, Isaacs RC, Lewis SD, Lucas BJ, Krueger JA, Singh R, Miller-Stein C, White RB, Wong B, Lyle EA, Stranieri MT, Cook JJ, McMasters DR, Pellicore JM, Pal S, Wallace AA, Clayton FC, Bohn D, Welsh DC, Lynch JJ Jr, Yan Y, Chen Z, Kuo L, Gardell SJ, Shafer JA, Vacca JP, Bioorg Med Chem Lett. 2003 Apr 7;13(7):1353-7. PMID:12657281 Page seeded by OCA on Sat May 3 01:43:29 2008

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

@@ Line 1: / Line 1: @@
 [[Image:1mue.gif|left|200px]]
- {{Structure
+<!--
-|PDB= 1mue |SIZE=350|CAPTION= <scene name='initialview01'>1mue</scene>, resolution 2.0&Aring;
+The line below this paragraph, containing "STRUCTURE_1mue", creates the "Structure Box" on the page.
-|SITE=
+You may change the PDB parameter (which sets the PDB file loaded into the applet)
-|LIGAND= <scene name='pdbligand=CDD:2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE'>CDD</scene>, <scene name='pdbligand=TYS:SULFONATED+TYROSINE'>TYS</scene>
+or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Thrombin Thrombin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.5 3.4.21.5] </span>
+or leave the SCENE parameter empty for the default display.
-|GENE=
+-->
-|DOMAIN=
+{{STRUCTURE_1mue|  PDB=1mue  |  SCENE=  }}
-|RELATEDENTRY=[[1mu6|1mu6]], [[1mu8|1mu8]]
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1mue FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1mue OCA], [http://www.ebi.ac.uk/pdbsum/1mue PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1mue RCSB]</span>
-}}
 '''Thrombin-Hirugen-L405,426'''
@@ Line 56: / Line 53: @@
 [[Category: Wong, B.]]
 [[Category: Yan, Y.]]
-[[Category: alpha thrombin-hirugen]]
+[[Category: Alpha thrombin-hirugen]]
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May  3 01:43:29 2008''
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 22:21:15 2008''