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TitleOptimization of a pyrazole hit from FBDD into a novel series of indazoles as ketohexokinase inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 21, Page 4762-4767, Year 2011
Publish dateApr 25, 2011 (structure data deposition date)
AuthorsZhang, X. / Song, F. / Kuo, G.H. / Xiang, A. / Gibbs, A.C. / Abad, M.C. / Sun, W. / Kuo, L.C. / Sui, Z.
External linksBioorg. Med. Chem. Lett. / PubMed:21767952
MethodsX-ray diffraction
Resolution2.6 Å
Structure data

PDB-3ro4:
X-ray Structure of Ketohexokinase in complex with an indazole compound derivative
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-LJ9:
3-ethyl-6-[(3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-1-phenyl-1H-indazole

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / kinase / ATP Binding / TRANSFERASE-TRANSFERASE INHIBITOR complex

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