3ch6
From Proteopedia
(New page: '''Unreleased structure''' The entry 3ch6 is ON HOLD until Paper Publication Authors: Sheriff, S. Description: Crystal Structure of 11beta-HSD1 Double Mutant (L262R, F278E) Complexed w...) |
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| + | {{STRUCTURE_3ch6| PDB=3ch6 | SCENE= }} | ||
| - | + | '''Crystal Structure of 11beta-HSD1 Double Mutant (L262R, F278E) Complexed with (3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone''' | |
| - | Description: Crystal Structure of 11beta-HSD1 Double Mutant (L262R, F278E) Complexed with (3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone | ||
| + | ==Overview== | ||
| + | Several series of pyridine amides were identified as selective and potent 11beta-HSD1 inhibitors. The most potent inhibitors feature 2,6- or 3,5-disubstitution on the pyridine core. Various linkers (CH(2)SO(2), CH(2)S, CH(2)O, S, O, N, bond) between the distal aryl and central pyridyl groups are tolerated, and lipophilic amide groups are generally favored. On the distal aryl group, a number of substitutions are well tolerated. A crystal structure was obtained for a complex between 11beta-HSD1 and the most potent inhibitor in this series. | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jun 11 | + | ==About this Structure== |
| + | 3CH6 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=3CH6 OCA]. | ||
| + | |||
| + | ==Reference== | ||
| + | Pyridine amides as potent and selective inhibitors of 11beta-hydroxysteroid dehydrogenase type 1., Wang H, Ruan Z, Li JJ, Simpkins LM, Smirk RA, Wu SC, Hutchins RD, Nirschl DS, Van Kirk K, Cooper CB, Sutton JC, Ma Z, Golla R, Seethala R, Salyan ME, Nayeem A, Krystek SR Jr, Sheriff S, Camac DM, Morin PE, Carpenter B, Robl JA, Zahler R, Gordon DA, Hamann LG, Bioorg Med Chem Lett. 2008 Jun 1;18(11):3168-72. Epub 2008 May 1. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18485702 18485702] | ||
| + | [[Category: 11-beta-hydroxysteroid dehydrogenase]] | ||
| + | [[Category: Homo sapiens]] | ||
| + | [[Category: Single protein]] | ||
| + | [[Category: Sheriff, S.]] | ||
| + | [[Category: 11b-hsd1]] | ||
| + | [[Category: Dehydrogenase]] | ||
| + | [[Category: Hydroxysteroid]] | ||
| + | [[Category: Inhibitor]] | ||
| + | [[Category: Oxidoreductase]] | ||
| + | [[Category: Sdr]] | ||
| + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jun 11 10:49:10 2008'' | ||
Revision as of 07:49, 11 June 2008
Crystal Structure of 11beta-HSD1 Double Mutant (L262R, F278E) Complexed with (3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
Overview
Several series of pyridine amides were identified as selective and potent 11beta-HSD1 inhibitors. The most potent inhibitors feature 2,6- or 3,5-disubstitution on the pyridine core. Various linkers (CH(2)SO(2), CH(2)S, CH(2)O, S, O, N, bond) between the distal aryl and central pyridyl groups are tolerated, and lipophilic amide groups are generally favored. On the distal aryl group, a number of substitutions are well tolerated. A crystal structure was obtained for a complex between 11beta-HSD1 and the most potent inhibitor in this series.
About this Structure
3CH6 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Pyridine amides as potent and selective inhibitors of 11beta-hydroxysteroid dehydrogenase type 1., Wang H, Ruan Z, Li JJ, Simpkins LM, Smirk RA, Wu SC, Hutchins RD, Nirschl DS, Van Kirk K, Cooper CB, Sutton JC, Ma Z, Golla R, Seethala R, Salyan ME, Nayeem A, Krystek SR Jr, Sheriff S, Camac DM, Morin PE, Carpenter B, Robl JA, Zahler R, Gordon DA, Hamann LG, Bioorg Med Chem Lett. 2008 Jun 1;18(11):3168-72. Epub 2008 May 1. PMID:18485702 Page seeded by OCA on Wed Jun 11 10:49:10 2008
