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TitleDiscovery of Novel Tricyclic Heterocycles as Potent and Selective DPP-4 Inhibitors for the Treatment of Type 2 Diabetes.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 7, Page 498-501, Year 2016
Publish dateFeb 18, 2016 (structure data deposition date)
AuthorsWu, W.L. / Hao, J. / Domalski, M. / Burnett, D.A. / Pissarnitski, D. / Zhao, Z. / Stamford, A. / Scapin, G. / Gao, Y.D. / Soriano, A. ...Wu, W.L. / Hao, J. / Domalski, M. / Burnett, D.A. / Pissarnitski, D. / Zhao, Z. / Stamford, A. / Scapin, G. / Gao, Y.D. / Soriano, A. / Kelly, T.M. / Yao, Z. / Powles, M.A. / Chen, S. / Mei, H. / Hwa, J.
External linksAcs Med. Chem. Lett. / PubMed:27190600
MethodsX-ray diffraction
Resolution1.95 Å
Structure data

PDB-5i7u:
Human DPP4 in complex with a novel tricyclic hetero-cycle inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

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

ChemComp-6AJ:
2-({2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-6,9-dioxo-5,6,7,9-tetrahydro-1H-imidazo[1,2-a]purin-1-yl}methyl)-4-fluorobenzonitrile

ChemComp-NA:
Unknown entry

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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