3tdc

<StructureSection load='3tdc' size='340' side='right' caption='[[3tdc]], [[Resolution|resolution]] 2.41&Aring;' scene=''>

<table><tr><td colspan='2'>[[3tdc]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TDC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3TDC FirstGlance]. <br>

</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0EU:1-[3-({4-[(5S)-3,3-DIMETHYL-1-OXO-2-OXA-7-AZASPIRO[4.5]DEC-7-YL]PIPERIDIN-1-YL}CARBONYL)-1-BENZOTHIOPHEN-2-YL]-3-ETHYLUREA'>0EU</scene></td></tr>

<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Acetyl-CoA_carboxylase Acetyl-CoA carboxylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.4.1.2 6.4.1.2] </span></td></tr>

<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3tdc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tdc OCA], [http://pdbe.org/3tdc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3tdc RCSB], [http://www.ebi.ac.uk/pdbsum/3tdc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3tdc ProSAT]</span></td></tr>

== Publication Abstract from PubMed ==

The co-crystal structure of the human acetyl-coenzyme A 2 (ACC2) carboxyl transferase domain and the reported compound CP-640186 (1b) suggested that two carbonyl groups are essential for potent ACC2 inhibition. By focusing on enhancing the interactions between the two carbonyl groups and the amino acid residues Gly(2162) and Glu(2230), we used ligand- and structure-based drug design to discover spirolactones bearing a 2-ureidobenzothiophene moiety.

 

Design, synthesis, and structure-activity relationships of spirolactones bearing 2-ureidobenzothiophene as acetyl-CoA carboxylases inhibitors.,Yamashita T, Kamata M, Endo S, Yamamoto M, Kakegawa K, Watanabe H, Miwa K, Yamano T, Funata M, Sakamoto J, Tani A, Mol CD, Zou H, Dougan DR, Sang B, Snell G, Fukatsu K Bioorg Med Chem Lett. 2011 Nov 1;21(21):6314-8. Epub 2011 Sep 6. PMID:21944854<ref>PMID:21944854</ref>

 

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>

*[[Acetyl-CoA carboxylase|Acetyl-CoA carboxylase]]

[[Category: Acetyl-CoA carboxylase]]

[[Category: Human]]

[[Category: Dougan, D R]]

[[Category: Mol, C D]]

[[Category: Malonyl-coa]]