1X70
HUMAN DIPEPTIDYL PEPTIDASE IV IN COMPLEX WITH A BETA AMINO ACID INHIBITOR
Summary for 1X70
| Entry DOI | 10.2210/pdb1x70/pdb |
| Descriptor | Dipeptidyl peptidase IV, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... (7 entities in total) |
| Functional Keywords | alpha/beta, beta-propeller, dimer, hydrolase |
| Biological source | Homo sapiens (human) |
| Total number of polymer chains | 2 |
| Total formula weight | 174937.77 |
| Authors | Kim, D.,Wang, L.,Beconi, M.,Eiermann, G.J.,Fisher, M.H.,He, H.,Hickey, G.J.,Leiting, B.,Lyons, K. (deposition date: 2004-08-12, release date: 2005-01-18, Last modification date: 2024-10-30) |
| Primary citation | Kim, D.,Wang, L.,Beconi, M.,Eiermann, G.J.,Fisher, M.H.,He, H.,Hickey, G.J.,Kowalchick, J.E.,Leiting, B.,Lyons, K.,Marsilio, F.,McCann, M.E.,Patel, R.A.,Petrov, A.,Scapin, G.,Patel, S.B.,Roy, R.S.,Wu, J.K.,Wyvratt, M.J.,Zhang, B.B.,Zhu, L.,Thornberry, N.A.,Weber, A.E. (2R)-4-Oxo-4-[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin- 7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine: A Potent, Orally Active Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes J.Med.Chem., 48:141-151, 2005 Cited by PubMed Abstract: A novel series of beta-amino amides incorporating fused heterocycles, i.e., triazolopiperazines, were synthesized and evaluated as inhibitors of dipeptidyl peptidase IV (DPP-IV) for the treatment of type 2 diabetes. (2R)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine (1) is a potent, orally active DPP-IV inhibitor (IC(50) = 18 nM) with excellent selectivity over other proline-selective peptidases, oral bioavailability in preclinical species, and in vivo efficacy in animal models. MK-0431, the phosphate salt of compound 1, was selected for development as a potential new treatment for type 2 diabetes. PubMed: 15634008DOI: 10.1021/jm0493156 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.1 Å) |
Structure validation
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