2g00: Difference between revisions

Revision as of 04:31, 4 May 2008

Factor Xa in complex with the inhibitor 3-(6-(2'-((dimethylamino)methyl)-4-biphenylyl)-7-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-1-yl)benzamide

OverviewOverview

The bicyclic dihydropyrazolopyridinone scaffold allowed for incorporation of multiple P1 moieties with subnanomolar binding affinities for blood coagulation factor Xa. The compound 3-[6-(2'-dimethylaminomethyl-biphenyl-4-yl)-7-oxo-3-trifluoro-methyl-4,5,6 ,7-tetrahydro-pyrazolo[3,4-c]pyridine-l-yl]-benzamide 6d shows good fXa potency, selectivity, in vivo efficacy and oral bioavailability. Compound 6d was selected for further pre-clinical evaluations.

About this StructureAbout this Structure

2G00 is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.

ReferenceReference

Discovery of potent, efficacious, and orally bioavailable inhibitors of blood coagulation factor Xa with neutral P1 moieties., Pinto DJ, Galemmo RA Jr, Quan ML, Orwat MJ, Clark C, Li R, Wells B, Woerner F, Alexander RS, Rossi KA, Smallwood A, Wong PC, Luettgen JM, Rendina AR, Knabb RM, He K, Wexler RR, Lam PY, Bioorg Med Chem Lett. 2006 Nov 1;16(21):5584-9. Epub 2006 Sep 11. PMID:16963264 Page seeded by OCA on Sun May 4 04:31:38 2008

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

OCA

@@ Line 1: / Line 1: @@
 [[Image:2g00.gif|left|200px]]
- {{Structure
+<!--
-|PDB= 2g00 |SIZE=350|CAPTION= <scene name='initialview01'>2g00</scene>, resolution 2.100&Aring;
+The line below this paragraph, containing "STRUCTURE_2g00", 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=4QC:3-[6-{2&#39;-[(DIMETHYLAMINO)METHYL]BIPHENYL-4-YL}-7-OXO-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-1-YL]BENZAMIDE'>4QC</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/Coagulation_factor_Xa Coagulation factor Xa], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.6 3.4.21.6] </span>
+or leave the SCENE parameter empty for the default display.
-|GENE=
+-->
-|DOMAIN=
+{{STRUCTURE_2g00|  PDB=2g00  |  SCENE=  }}
-|RELATEDENTRY=
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2g00 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2g00 OCA], [http://www.ebi.ac.uk/pdbsum/2g00 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2g00 RCSB]</span>
-}}
 '''Factor Xa in complex with the inhibitor 3-(6-(2'-((dimethylamino)methyl)-4-biphenylyl)-7-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-1-yl)benzamide'''
@@ Line 27: / Line 24: @@
 [[Category: Protein complex]]
 [[Category: Alexander, R S.]]
-[[Category: blood coagulation factor]]
+[[Category: Blood coagulation factor]]
-[[Category: calcium-binding]]
+[[Category: Calcium-binding]]
-[[Category: glycoprotein]]
+[[Category: Glycoprotein]]
-[[Category: hydrolase]]
+[[Category: Hydrolase]]
-[[Category: plasma]]
+[[Category: Plasma]]
-[[Category: protein inhibitor complex]]
+[[Category: Protein inhibitor complex]]
-[[Category: serine protease]]
+[[Category: Serine protease]]
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May  4 04:31:38 2008''
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:09:58 2008''