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TitleBenzenesulfonamides Incorporating Flexible Triazole Moieties Are Highly Effective Carbonic Anhydrase Inhibitors: Synthesis and Kinetic, Crystallographic, Computational, and Intraocular Pressure Lowering Investigations.
Journal, issue, pagesJ. Med. Chem., Vol. 59, Page 10692-10704, Year 2016
Publish dateJul 19, 2016 (structure data deposition date)
AuthorsNocentini, A. / Ferraroni, M. / Carta, F. / Ceruso, M. / Gratteri, P. / Lanzi, C. / Masini, E. / Supuran, C.T.
External linksJ. Med. Chem. / PubMed:27933963
MethodsX-ray diffraction
Resolution1 - 1.05 Å
Structure data

PDB-5ljq:
Crystal structure of human carbonic anhydrase II in complex with the 4-(4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.05 Å

PDB-5ljt:
Crystal structure of human carbonic anhydrase II in complex with the 4-((1-phenyl-1H-1,2,3-triazol-4-yl)methoxy)benzenesulfonamide inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-ANV:
1-[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]-4-(phenoxymethyl)-1,2,3-triazole

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-A6N:
4-[[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenoxy]methyl]-1-phenyl-1,2,3-triazole

Source
  • homo sapiens (human)
KeywordsLYASE

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