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Structure paper

TitleNovel Heterocyclic Dpp-4 Inhibitors for the Treatment of Type 2 Diabetes.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 22, Page 1464-, Year 2012
Publish dateOct 28, 2011 (structure data deposition date)
AuthorsSutton, J.M. / Clark, D.E. / Dunsdon, S.J. / Fenton, G. / Fillmore, A. / Harris, N.V. / Higgs, C. / Hurley, C.A. / Krintel, S.L. / Mackenzie, R.E. ...Sutton, J.M. / Clark, D.E. / Dunsdon, S.J. / Fenton, G. / Fillmore, A. / Harris, N.V. / Higgs, C. / Hurley, C.A. / Krintel, S.L. / Mackenzie, R.E. / Duttaroy, A. / Gangl, E. / Maniara, W. / Sedrani, R. / Namoto, K. / Ostermann, N. / Gerhartz, B. / Sirockin, F. / Trappe, J. / Hassiepen, U. / Baeschlin, D.K.
External linksBioorg. Med. Chem. Lett. / PubMed:22177783
MethodsX-ray diffraction
Resolution1.62 Å
Structure data

PDB-4a5s:
CRYSTAL STRUCTURE OF HUMAN DPP4 IN COMPLEX WITH A NOVAL HETEROCYCLIC DPP4 INHIBITOR
Method: X-RAY DIFFRACTION / Resolution: 1.62 Å

Chemicals

ChemComp-N7F:
6-[(3S)-3-AMINOPIPERIDIN-1-YL]-5-BENZYL-4-OXO-3-(QUINOLIN-4-YLMETHYL)-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / TYPE 2 DIABETES / NOVARTIS COMPOUND NVP-BIV988

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