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TitleCarbonic anhydrase inhibitors. The X-ray crystal structure of human isoform II in adduct with an adamantyl analogue of acetazolamide resides in a less utilized binding pocket than most hydrophobic inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 20, Page 4376-4381, Year 2010
Publish dateApr 7, 2010 (structure data deposition date)
AuthorsAvvaru, B.S. / Wagner, J.M. / Maresca, A. / Scozzafava, A. / Robbins, A.H. / Supuran, C.T. / McKenna, R.
External linksBioorg. Med. Chem. Lett. / PubMed:20605094
MethodsX-ray diffraction
Resolution1.698 Å
Structure data

PDB-3mhc:
Crystal structure of human cabonic anhydrase II in adduct with an adamantyl analogue of acetazolamide in a novel hydrophobic binding pocket
Method: X-RAY DIFFRACTION / Resolution: 1.698 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-ARZ:
(3S,5S,7S)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsLYASE / Carbonic anhydrase inhibitors / adamantyl / acetazolamide

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