2pr3

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[[Image:2pr3.jpg|left|200px]]
[[Image:2pr3.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 2pr3 |SIZE=350|CAPTION= <scene name='initialview01'>2pr3</scene>, resolution 1.5&Aring;
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The line below this paragraph, containing "STRUCTURE_2pr3", creates the "Structure Box" on the page.
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|SITE=
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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=237:(2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[3-FLUORO-2&#39;-(METHYLSULFONYL)BIPHENYL-4-YL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE'>237</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=
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{{STRUCTURE_2pr3| PDB=2pr3 | SCENE= }}
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|RELATEDENTRY=[[2g0m|2G0M]], [[2g21|2G21]], [[2phb|2PHB]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2pr3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2pr3 OCA], [http://www.ebi.ac.uk/pdbsum/2pr3 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2pr3 RCSB]</span>
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}}
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'''Factor XA inhibitor'''
'''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 13:39:49 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:39:36 2008''
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Revision as of 10:39, 4 May 2008

Image:2pr3.jpg

Template:STRUCTURE 2pr3

Factor XA inhibitor


Contents

Overview

A novel series of pyrrolidine-1,2-dicarboxamides was discovered as factor Xa inhibitors using structure-based drug design. This series consisted of a neutral 4-chlorophenylurea P1, a biphenylsulfonamide P4 and a D-proline scaffold (1, IC(50) = 18 nM). Optimization of the initial hit resulted in an orally bioavailable, subnanomolar inhibitor of factor Xa (13, IC(50) = 0.38 nM), which was shown to be efficacious in a canine electrolytic model of thrombosis with minimal bleeding.

Disease

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

About this Structure

2PR3 is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Structure-based drug design of pyrrolidine-1, 2-dicarboxamides as a novel series of orally bioavailable factor Xa inhibitors., Van Huis CA, Bigge CF, Casimiro-Garcia A, Cody WL, Dudley DA, Filipski KJ, Heemstra RJ, Kohrt JT, Narasimhan LS, Schaum RP, Zhang E, Bryant JW, Haarer S, Janiczek N, Leadley RJ Jr, McClanahan T, Thomas Peterson J, Welch KM, Edmunds JJ, Chem Biol Drug Des. 2007 Jun;69(6):444-50. PMID:17581239 Page seeded by OCA on Sun May 4 13:39:49 2008

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OCA

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