2phb

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[[Image:2phb.jpg|left|200px]]
[[Image:2phb.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 2phb |SIZE=350|CAPTION= <scene name='initialview01'>2phb</scene>, resolution 2.30&Aring;
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The line below this paragraph, containing "STRUCTURE_2phb", creates the "Structure Box" on the page.
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|SITE= <scene name='pdbsite=AC1:Ca+Binding+Site+For+Residue+A+9000'>AC1</scene> and <scene name='pdbsite=AC2:230+Binding+Site+For+Residue+A+9001'>AC2</scene>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=230:(2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE'>230</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|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>
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or leave the SCENE parameter empty for the default display.
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|GENE= F10 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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-->
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|DOMAIN=<span class='plainlinks'>[http://www.ncbi.nlm.nih.gov/Structure/cdd/cddsrv.cgi?uid=cd00190 Tryp_SPc], [http://www.ncbi.nlm.nih.gov/Structure/cdd/cddsrv.cgi?uid=cd01475 vWA_Matrilin]</span>
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{{STRUCTURE_2phb| PDB=2phb | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2phb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2phb OCA], [http://www.ebi.ac.uk/pdbsum/2phb PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2phb RCSB]</span>
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}}
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'''An Orally Efficacious Factor Xa Inhibitor'''
'''An Orally Efficacious Factor Xa Inhibitor'''
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[[Category: Kohrt, J T.]]
[[Category: Kohrt, J T.]]
[[Category: Zhang, E.]]
[[Category: Zhang, E.]]
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[[Category: blood clotting]]
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[[Category: Blood clotting]]
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[[Category: fxa coagulation factor inhibitor]]
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[[Category: Fxa coagulation factor inhibitor]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 13:06:39 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:35:52 2008''
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Revision as of 10:06, 4 May 2008

Image:2phb.jpg

Template:STRUCTURE 2phb

An Orally Efficacious Factor Xa Inhibitor


Contents

Overview

Herein, we report the discovery of novel, proline-based factor Xa inhibitors containing a neutral P1 chlorophenyl pharmacophore. Through the additional incorporation of 1-(4-amino-3-fluoro-phenyl)-1H-pyridin-2-one 22, as a P4 pharmacophore, we discovered compound 7 (PD 0348292). This compound is a selective, orally bioavailable, efficacious FXa inhibitor that is currently in phase II clinical trials for the treatment and prevention of thrombotic disorders.

Disease

Known disease associated with this structure: Factor X deficiency OMIM:[227600]

About this Structure

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

Reference

The discovery of (2R,4R)-N-(4-chlorophenyl)-N- (2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-4-methoxypyrrolidine-1,2-dicarb oxamide (PD 0348292), an orally efficacious factor Xa inhibitor., Kohrt JT, Bigge CF, Bryant JW, Casimiro-Garcia A, Chi L, Cody WL, Dahring T, Dudley DA, Filipski KJ, Haarer S, Heemstra R, Janiczek N, Narasimhan L, McClanahan T, Peterson JT, Sahasrabudhe V, Schaum R, Van Huis CA, Welch KM, Zhang E, Leadley RJ, Edmunds JJ, Chem Biol Drug Des. 2007 Aug;70(2):100-12. PMID:17683371 Page seeded by OCA on Sun May 4 13:06:39 2008

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OCA

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