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TitleKinetic and X-ray crystallographic investigations of substituted 2-thio-6-oxo-1,6-dihydropyrimidine-benzenesulfonamides acting as carbonic anhydrase inhibitors.
Journal, issue, pagesBioorg. Med. Chem., Vol. 24, Page 3643-3648, Year 2016
Publish dateApr 8, 2016 (structure data deposition date)
AuthorsVullo, D. / Supuran, C.T. / Scozzafava, A. / De Simone, G. / Monti, S.M. / Alterio, V. / Carta, F.
External linksBioorg. Med. Chem. / PubMed:27316543
MethodsX-ray diffraction
Resolution1.7 Å
Structure data

PDB-5j8z:
Human carbonic anhydrase II in complex with ligand
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-FC4:
(2R)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide

ChemComp-6KE:
(2S)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsLYASE / Cytoplasm / 2-Thio-6-oxo-1 / 6-dihydropyrimidines / Sulfonamides

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