2q1l
From Proteopedia
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| - | [[Image:2q1l.jpg|left|200px]] | + | [[Image:2q1l.jpg|left|200px]] |
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| - | '''Design and Synthesis of Pyrrole-based, Hepatoselective HMG-CoA Reductase Inhibitors''' | + | {{Structure |
| + | |PDB= 2q1l |SIZE=350|CAPTION= <scene name='initialview01'>2q1l</scene>, resolution 2.050Å | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=882:(3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID'>882</scene> | ||
| + | |ACTIVITY= [http://en.wikipedia.org/wiki/Hydroxymethylglutaryl-CoA_reductase_(NADPH) Hydroxymethylglutaryl-CoA reductase (NADPH)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.34 1.1.1.34] | ||
| + | |GENE= HMGCR ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | ||
| + | }} | ||
| + | |||
| + | '''Design and Synthesis of Pyrrole-based, Hepatoselective HMG-CoA Reductase Inhibitors''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 2Q1L is a [ | + | 2Q1L is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Q1L OCA]. |
==Reference== | ==Reference== | ||
| - | Design and synthesis of hepatoselective, pyrrole-based HMG-CoA reductase inhibitors., Pfefferkorn JA, Song Y, Sun KL, Miller SR, Trivedi BK, Choi C, Sorenson RJ, Bratton LD, Unangst PC, Larsen SD, Poel TJ, Cheng XM, Lee C, Erasga N, Auerbach B, Askew V, Dillon L, Hanselman JC, Lin Z, Lu G, Robertson A, Olsen K, Mertz T, Sekerke C, Pavlovsky A, Harris MS, Bainbridge G, Caspers N, Chen H, Eberstadt M, Bioorg Med Chem Lett. 2007 Aug 15;17(16):4538-44. Epub 2007 Jun 6. PMID:[http:// | + | Design and synthesis of hepatoselective, pyrrole-based HMG-CoA reductase inhibitors., Pfefferkorn JA, Song Y, Sun KL, Miller SR, Trivedi BK, Choi C, Sorenson RJ, Bratton LD, Unangst PC, Larsen SD, Poel TJ, Cheng XM, Lee C, Erasga N, Auerbach B, Askew V, Dillon L, Hanselman JC, Lin Z, Lu G, Robertson A, Olsen K, Mertz T, Sekerke C, Pavlovsky A, Harris MS, Bainbridge G, Caspers N, Chen H, Eberstadt M, Bioorg Med Chem Lett. 2007 Aug 15;17(16):4538-44. Epub 2007 Jun 6. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17574412 17574412] |
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Hydroxymethylglutaryl-CoA reductase (NADPH)]] | [[Category: Hydroxymethylglutaryl-CoA reductase (NADPH)]] | ||
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[[Category: statin]] | [[Category: statin]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 18:20:32 2008'' |
Revision as of 16:20, 20 March 2008
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| , resolution 2.050Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | |||||||
| Gene: | HMGCR (Homo sapiens) | ||||||
| Activity: | Hydroxymethylglutaryl-CoA reductase (NADPH), with EC number 1.1.1.34 | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Design and Synthesis of Pyrrole-based, Hepatoselective HMG-CoA Reductase Inhibitors
Contents |
Overview
This manuscript describes the design and synthesis of a series of pyrrole-based inhibitors of HMG-CoA reductase for the treatment of hypercholesterolemia. Analogs were optimized using structure-based design and physical property considerations resulting in the identification of 44, a hepatoselective HMG-CoA reductase inhibitor with excellent acute and chronic efficacy in a pre-clinical animal models.
Disease
Known disease associated with this structure: Statins, attenuated cholesterol lowering by OMIM:[142910]
About this Structure
2Q1L is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Design and synthesis of hepatoselective, pyrrole-based HMG-CoA reductase inhibitors., Pfefferkorn JA, Song Y, Sun KL, Miller SR, Trivedi BK, Choi C, Sorenson RJ, Bratton LD, Unangst PC, Larsen SD, Poel TJ, Cheng XM, Lee C, Erasga N, Auerbach B, Askew V, Dillon L, Hanselman JC, Lin Z, Lu G, Robertson A, Olsen K, Mertz T, Sekerke C, Pavlovsky A, Harris MS, Bainbridge G, Caspers N, Chen H, Eberstadt M, Bioorg Med Chem Lett. 2007 Aug 15;17(16):4538-44. Epub 2007 Jun 6. PMID:17574412
Page seeded by OCA on Thu Mar 20 18:20:32 2008
