2OLE

Crystal Structure Of Human Dipeptidyl Peptidase IV (DPPIV) Complex With Cyclic Hydrazine Derivatives

Summary for 2OLE

• Entry DOI: 10.2210/pdb2ole/pdb
• Descriptor: Dipeptidyl peptidase 4, (2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE (3 entities in total)
• Functional Keywords: dipeptidyl peptidase iv, cyclic hydrazine, diabetes, hydrolase
• Biological source: Homo sapiens (human)
• Cellular location: Dipeptidyl peptidase 4 soluble form: Secreted. Cell membrane; Single-pass type II membrane protein: P27487
• Total number of polymer chains: 2
• Total formula weight: 169764.11

Authors

Kim, S.S.,Ahn, J.H.,Lee, J.O. (deposition date: 2007-01-19, release date: 2008-01-22, Last modification date: 2024-11-06)

Primary citation

Ahn, J.H.,Shin, M.S.,Jun, M.A.,Jung, S.H.,Kang, S.K.,Kim, K.R.,Rhee, S.D.,Kang, N.S.,Kim, S.Y.,Sohn, S.K.,Kim, S.G.,Jin, M.S.,Lee, J.O.,Cheon, H.G.,Kim, S.S.
Synthesis, biological evaluation and structural determination of beta-aminoacyl-containing cyclic hydrazine derivatives as dipeptidyl peptidase IV (DPP-IV) inhibitors
Bioorg.Med.Chem.Lett., 17:2622-2628, 2007

PubMed Abstract: Inhibitors of dipeptidyl peptidase IV (DPP-IV) have been shown to be effective treatments for type 2 diabetes. A series of beta-aminoacyl-containing cyclic hydrazine derivatives were synthesized and evaluated as DPP-IV inhibitors. One member of this series, (R)-3-amino-1-(2-benzoyl-1,2-diazepan-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one (10f), showed potent in vitro activity, good selectivity and in vivo efficacy in mouse models. Also, the binding mode of compound 10f was determined by X-ray crystallography.

PubMed: 17331715
DOI: 10.1016/j.bmcl.2007.01.111

Experimental method

X-RAY DIFFRACTION (2.4 Å)