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TitleThe discovery of novel 5,6,5- and 5,5,6-tricyclic pyrrolidines as potent and selective DPP-4 inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 26, Page 2622-2626, Year 2016
Publish dateMar 15, 2016 (structure data deposition date)
AuthorsCox, J.M. / Chu, H.D. / Kuethe, J.T. / Gao, Y.D. / Scapin, G. / Eiermann, G. / He, H. / Li, X. / Lyons, K.A. / Metzger, J. ...Cox, J.M. / Chu, H.D. / Kuethe, J.T. / Gao, Y.D. / Scapin, G. / Eiermann, G. / He, H. / Li, X. / Lyons, K.A. / Metzger, J. / Petrov, A. / Wu, J.K. / Xu, S. / Sinha-Roy, R. / Weber, A.E. / Biftu, T.
External linksBioorg. Med. Chem. Lett. / PubMed:27106708
MethodsX-ray diffraction
Resolution2 Å
Structure data

PDB-5ism:
Human DPP4 in complex with a novel 5,5,6-tricyclic pyrrolidine inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

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

ChemComp-NA:
Unknown entry

ChemComp-6DG:
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(7H-pyrrolo[3',4':3,4]pyrazolo[1,5-a]pyrimidin-8(9H)-yl)oxan-3-amine

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHydrolase/Hydrolase Inhibitor / Structure-based drug design / diabetes / DPP4 inhibitors / hydrolase / Hydrolase-Hydrolase Inhibitor complex

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