1if9

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{{STRUCTURE_1if9| PDB=1if9 | SCENE= }}
{{STRUCTURE_1if9| PDB=1if9 | SCENE= }}
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'''Carbonic Anhydrase II Complexed With N-[2-(1H-Indol-5-yl)-butyl]-4-sulfamoyl-benzamide'''
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===Carbonic Anhydrase II Complexed With N-[2-(1H-Indol-5-yl)-butyl]-4-sulfamoyl-benzamide===
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==Overview==
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Combinatorial small molecule growth algorithm was used to design inhibitors for human carbonic anhydrase II. Two enantiomeric candidate molecules were predicted to bind with high potency (with R isomer binding stronger than S), but in two distinct conformations. The experiments verified that computational predictions concerning the binding affinities and the binding modes were correct for both isomers. The designed R isomer is the best-known inhibitor (K(d) approximately 30 pM) of human carbonic anhydrase II.
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(as it appears on PubMed at http://www.pubmed.gov), where 11818565 is the PubMed ID number.
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{{ABSTRACT_PUBMED_11818565}}
==About this Structure==
==About this Structure==
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[[Category: Whitesides, G M.]]
[[Category: Whitesides, G M.]]
[[Category: Carbonic anhydrase ii]]
[[Category: Carbonic anhydrase ii]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 19:56:22 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 1 10:52:47 2008''

Revision as of 07:52, 1 July 2008

Image:1if9.png

Template:STRUCTURE 1if9

Carbonic Anhydrase II Complexed With N-[2-(1H-Indol-5-yl)-butyl]-4-sulfamoyl-benzamide

Template:ABSTRACT PUBMED 11818565

About this Structure

1IF9 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Combinatorial computational method gives new picomolar ligands for a known enzyme., Grzybowski BA, Ishchenko AV, Kim CY, Topalov G, Chapman R, Christianson DW, Whitesides GM, Shakhnovich EI, Proc Natl Acad Sci U S A. 2002 Feb 5;99(3):1270-3. Epub 2002 Jan 29. PMID:11818565

Page seeded by OCA on Tue Jul 1 10:52:47 2008

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