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TitleDiscovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 24, Page 731-736, Year 2014
Publish dateOct 17, 2013 (structure data deposition date)
AuthorsNamoto, K. / Sirockin, F. / Ostermann, N. / Gessier, F. / Flohr, S. / Sedrani, R. / Gerhartz, B. / Trappe, J. / Hassiepen, U. / Duttaroy, A. ...Namoto, K. / Sirockin, F. / Ostermann, N. / Gessier, F. / Flohr, S. / Sedrani, R. / Gerhartz, B. / Trappe, J. / Hassiepen, U. / Duttaroy, A. / Ferreira, S. / Sutton, J.M. / Clark, D.E. / Fenton, G. / Beswick, M. / Baeschlin, D.K.
External linksBioorg. Med. Chem. Lett. / PubMed:24439847
MethodsX-ray diffraction
Resolution1.65 - 2.3 Å
Structure data

PDB-4n8d:
DPP4 complexed with syn-7aa
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-4n8e:
DPP4 complexed with compound 12a
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

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

ChemComp-SO4:
SULFATE ION

ChemComp-2KS:
1-(cis-1-phenyl-4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}cyclohexyl)methanamine

ChemComp-HOH:
WATER

ChemComp-2KV:
1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one

Source
  • homo sapiens (human)
KeywordsHYDROLASE

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