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Title(3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 17, Page 49-52, Year 2007
Publish dateSep 28, 2006 (structure data deposition date)
AuthorsBiftu, T. / Feng, D. / Qian, X. / Liang, G.B. / Kieczykowski, G. / Eiermann, G. / He, H. / Leiting, B. / Lyons, K. / Petrov, A. ...Biftu, T. / Feng, D. / Qian, X. / Liang, G.B. / Kieczykowski, G. / Eiermann, G. / He, H. / Leiting, B. / Lyons, K. / Petrov, A. / Sinha-Roy, R. / Zhang, B. / Scapin, G. / Patel, S. / Gao, Y.D. / Singh, S. / Wu, J. / Zhang, X. / Thornberry, N.A. / Weber, A.E.
External linksBioorg. Med. Chem. Lett. / PubMed:17055272
MethodsX-ray diffraction
Resolution2.15 - 2.35 Å
Structure data

PDB-2iit:
Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-2iiv:
Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

Chemicals

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

ChemComp-NA:
Unknown entry

ChemComp-872:
(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-2-ONE

ChemComp-HOH:
WATER

ChemComp-565:
(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE

Source
  • homo sapiens (human)
KeywordsHYDROLASE / HYDROLASE; ALPHA/BETA; BETA-PROPELLER; DIMER

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