3C43

Human dipeptidyl peptidase IV/CD26 in complex with a flouroolefin inhibitor

Summary for 3C43

• Entry DOI: 10.2210/pdb3c43/pdb
• Related: 1x70 2fjp 2hha 2iit 2iiv 2oph 3C45
• Descriptor: Dipeptidyl peptidase 4 soluble form, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... (5 entities in total)
• Functional Keywords: alpha/beta, beta-propeller, dimer, aminopeptidase, glycoprotein, hydrolase, membrane, protease, secreted, serine protease, signal-anchor, transmembrane
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 175017.20

Authors

Scapin, G.,Edmondson, S.D.,Weber, A.E. (deposition date: 2008-01-29, release date: 2008-04-22, Last modification date: 2024-11-06)

Primary citation

Edmondson, S.D.,Wei, L.,Xu, J.,Shang, J.,Xu, S.,Pang, J.,Chaudhary, A.,Dean, D.C.,He, H.,Leiting, B.,Lyons, K.A.,Patel, R.A.,Patel, S.B.,Scapin, G.,Wu, J.K.,Beconi, M.G.,Thornberry, N.A.,Weber, A.E.
Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors
Bioorg.Med.Chem.Lett., 18:2409-2413, 2008

PubMed Abstract: The synthesis, selectivity, rat pharmacokinetic profile, and drug metabolism profiles of a series of potent fluoroolefin-derived DPP-4 inhibitors (4) are reported. A radiolabeled fluoroolefin 33 was shown to possess a high propensity to form reactive metabolites, thus revealing a potential liability for this class of DPP-4 inhibitors.

PubMed: 18331795
DOI: 10.1016/j.bmcl.2008.02.050

Experimental method

X-RAY DIFFRACTION (2.3 Å)