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TitleExploring Heteroaryl-pyrazole Carboxylic Acids as Human Carbonic Anhydrase XII Inhibitors.
Journal, issue, pagesACS Med Chem Lett, Vol. 8, Page 941-946, Year 2017
Publish dateSep 26, 2017 (structure data deposition date)
AuthorsCadoni, R. / Pala, N. / Lomelino, C. / Mahon, B.P. / McKenna, R. / Dallocchio, R. / Dessi, A. / Carcelli, M. / Rogolino, D. / Sanna, V. ...Cadoni, R. / Pala, N. / Lomelino, C. / Mahon, B.P. / McKenna, R. / Dallocchio, R. / Dessi, A. / Carcelli, M. / Rogolino, D. / Sanna, V. / Rassu, M. / Iaccarino, C. / Vullo, D. / Supuran, C.T. / Sechi, M.
External linksACS Med Chem Lett / PubMed:28947941
MethodsX-ray diffraction
Resolution1.196 Å
Structure data

PDB-6b4d:
Crystal structure of human carbonic anhydrase II in complex with a heteroaryl-pyrazole carboxylic acid derivative.
Method: X-RAY DIFFRACTION / Resolution: 1.196 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-GOL:
GLYCEROL

ChemComp-53X:
3-(1-ethyl-1H-indol-3-yl)-1-methyl-1H-pyrazole-5-carboxylic acid

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsLYASE / Carbonic anhydrase / inhibitor / carboxylic acid

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