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TitleDiscovery and Structure-Activity Relationships of Piperidinone- and Piperidine-Constrained Phenethylamines as Novel, Potent, and Selective Dipeptidyl Peptidase IV Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 50, Page 1983-1987, Year 2007
Publish dateJan 31, 2007 (structure data deposition date)
AuthorsPei, Z. / Li, X. / Geldern, T.W. / Longenecker, K. / Pireh, D. / Stewart, K.D. / Backes, B.J. / Lai, C. / Lubben, T.H. / Ballaron, S.J. ...Pei, Z. / Li, X. / Geldern, T.W. / Longenecker, K. / Pireh, D. / Stewart, K.D. / Backes, B.J. / Lai, C. / Lubben, T.H. / Ballaron, S.J. / Beno, D.W. / Kempf-Grote, A.J. / Sham, H.L. / Trevillyan, J.M.
External linksJ. Med. Chem. / PubMed:17367123
MethodsX-ray diffraction
Resolution2.8 Å
Structure data

PDB-2oqi:
Human Dipeptidyl Peptidase IV (DPP4) with Piperidinone-constrained phenethylamine
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-2oqv:
Human Dipeptidyl Peptidase IV (DPP4) with piperidine-constrained phenethylamine
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-GGO:
(4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE

ChemComp-MA9:
(3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE

Source
  • homo sapiens (human)
KeywordsHYDROLASE / serine-peptidase / inhibitor

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