Crystal structure of human DPP-IV in complex with SA-(+)-3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-5H-pyrrolo[3,4-B]pyridin-7(6H)-one
Revelation date
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26-Oct-2011
Family
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DPP4N_Peptidase_S9: there are 829 genes in this family, 179 structure(s)
Wang, W., Devasthale, P., Wang, A., Harrity, T., Egan, D., Morgan, N., Cap, M., Fura, A., Klei, H.E., Kish, K., Weigelt, C., Sun, L., Levesque, P., Li, Y.X., Zahler, R., Kirby, M.S., Hamann, L.G.
Design, synthesis, and SAR of 7-oxopyrrolopyridine-derived DPP4 inhibitors are described. The preferred stereochemistry of these atropisomeric biaryl analogs has been identified as Sa. Compound (+)-3t, with a K(i) against DPP4, DPP8, and DPP9 of 0.37 nM, 2.2, and 5.7 muM, respectively, showed a significant improvement in insulin response after single doses of 3 and 10 mumol/kg in ob/ob mice.
Representative scheme of DPP4N_Peptidase_S9 structure and an image from PDBsum server
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Databases
PDB-Sum
3SWW Previously Class, Architecture, Topology and Homologous superfamily - PDB-Sum server
FSSP
3SWWFold classification based on Structure-Structure alignment of Proteins - FSSP server
