2I3Z

rat DPP-IV with xanthine mimetic inhibitor #7

Summary for 2I3Z

• Entry DOI: 10.2210/pdb2i3z/pdb
• Related: 2GBI
• Descriptor: Dipeptidyl peptidase 4 (Dipeptidyl peptidase IV) (DPP IV), 2-[(3S)-3-AMINOPIPERIDIN-1-YL]-1-(2-CYANOBENZYL)-5-METHYL-4,6-DIOXO-3,4,5,6-TETRAHYDROPYRROLO[3,4-D]IMIDAZOL-1-IUM (2 entities in total)
• Functional Keywords: enzyme, peptidase, inhibitor, hydrolase
• Biological source: Rattus norvegicus (Norway rat)
• Cellular location: Dipeptidyl peptidase 4 soluble form: Secreted. Cell membrane; Single-pass type II membrane protein: P14740
• Total number of polymer chains: 2
• Total formula weight: 169040.57

Authors

Kurukulasuriya, R.,Rohde, J.J.,Szczepankiewicz, B.G.,Basha, F.,Lai, C.,Winn, M.,Stewart, K.D.,Longenecker, K.L.,Lubben, T.W.,Ballaron, S.J.,Sham, H.L.,VonGeldern, T.W. (deposition date: 2006-08-21, release date: 2006-12-12, Last modification date: 2024-11-06)

Primary citation

Kurukulasuriya, R.,Rohde, J.J.,Szczepankiewicz, B.G.,Basha, F.,Lai, C.,Jae, H.S.,Winn, M.,Stewart, K.D.,Longenecker, K.L.,Lubben, T.W.,Ballaron, S.J.,Sham, H.L.,von Geldern, T.W.
Xanthine mimetics as potent dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 16:6226-6230, 2006

PubMed Abstract: A series of xanthine mimetics containing 5,5 and 5,6 heterocycle fused imidazoles were synthesized as dipeptidyl peptidase IV inhibitors. Compound 7 is potent (h-DPPIV K(i)=2nM) and exhibits excellent selectivity and no species specificity against rat and human enzymes. The X-ray structure confirms that the binding mode of 7 to rat DPPIV is similar to the parent xanthines.

PubMed: 17010607
DOI: 10.1016/j.bmcl.2006.09.024

Experimental method

X-RAY DIFFRACTION (2.9 Å)