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Structure paper

TitleCarbonic anhydrase inhibitors with dual-tail moieties to match the hydrophobic and hydrophilic halves of the carbonic anhydrase active site.
Journal, issue, pagesJ. Med. Chem., Vol. 58, Page 1494-1501, Year 2015
Publish dateOct 22, 2014 (structure data deposition date)
AuthorsTanpure, R.P. / Ren, B. / Peat, T.S. / Bornaghi, L.F. / Vullo, D. / Supuran, C.T. / Poulsen, S.A.
External linksJ. Med. Chem. / PubMed:25581127
MethodsX-ray diffraction
Resolution1.53 Å
Structure data

PDB-4rn4:
Human Carbonic anhydrases II in complex with a acetazolamide derivative comprising one hydrophobic and one hydrophilic tail moiety
Method: X-RAY DIFFRACTION / Resolution: 1.53 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-FMT:
FORMIC ACID

ChemComp-3T7:
2-({[1-(beta-D-glucopyranosyl)-1H-1,2,3-triazol-4-yl]methyl}[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]amino)-5-sulfamoyl-1,3,4-thiadiazole

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsLyase/Lyase inhibitor / Carbonic anhydrase / acetazolamide / Lyase-Lyase inhibitor complex

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