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Structure paper

TitleDiscovery of potent and orally active 1,4-disubstituted indazoles as novel allosteric glucokinase activators.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 27, Page 2678-2682, Year 2017
Publish dateMar 10, 2017 (structure data deposition date)
AuthorsCheruvallath, Z.S. / Gwaltney, S.L. / Sabat, M. / Tang, M. / Wang, H. / Jennings, A. / Hosfield, D. / Lee, B. / Wu, Y. / Halkowycz, P. / Grimshaw, C.E.
External linksBioorg. Med. Chem. Lett. / PubMed:28512030
MethodsX-ray diffraction
Resolution2.08 - 2.39 Å
Structure data

PDB-5v4w:
Human glucokinase in complex with novel indazole activator.
Method: X-RAY DIFFRACTION / Resolution: 2.39 Å

PDB-5v4x:
Human glucokinase in complex with novel pyrazole activator.
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

Chemicals

ChemComp-GLC:
alpha-D-glucopyranose

ChemComp-8WM:
(2S)-2-[4-(cyclopropylsulfonyl)-1H-indazol-1-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide

ChemComp-IOD:
IODIDE ION

ChemComp-HOH:
WATER

ChemComp-8WJ:
(2S)-3-cyclohexyl-2-[4-(cyclopentylsulfonyl)-2-oxopyridin-1(2H)-yl]-N-(1,3-thiazol-2-yl)propanamide

Source
  • homo sapiens (human)
Keywordstransferase/transferase activator / activator / complex / allosteric / transferase-transferase activator complex / glucokinase

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