Name : Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with ABT-341, a cyclohexene-constrained phenethylamine inhbitor

Revelation date : 09-Oct-2007

Family : DPP4N_Peptidase_S9

Gene_locus : human-DPP4

PDB file : ESTHER: header of PDB entry RCSB: Full entry

Pei, Z., Li, X., vonGeldern, T.W., Madar, D.J., L Longenecker, K., Yong, H., Lubben, T.H., Stewart, K.D., Zinker, B.A., Backes, B.J., Judd, A.S., Mulhern, M., Ballaron, S.J., Stashko, M.A., Mika, A.K., Beno, D.W.A., Reinhart, G.A., Fryer, R.M., Preusser, L.C., Kempf-Grote, A.J., Sham, H.L., Trevillyan, J.M. Discovery of Cyclohexene-constrained Phenethylamine ABT-341, a Highly Potent, Selective, Orally Bioavailable, Safe and Potential Next-generation Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes To be Published

Ligand : Inhibitor ABT-341 Ligand in structure: Ligplot

References (1)

Title : Discovery of ((4R,5S)-5-amino-4-(2,4,5- trifluorophenyl)cyclohex-1-enyl)-(3- (trifluoromethyl)-5,6-dihydro- [1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone (ABT-341), a highly potent, selective, orally efficacious, and safe dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes - Pei_2006_J.Med.Chem_49_6439
Author(s) : Pei Z , Li X , von Geldern TW , Madar DJ , Longenecker K , Yong H , Lubben TH , Stewart KD , Zinker BA , Backes BJ , Judd AS , Mulhern M , Ballaron SJ , Stashko MA , Mika AK , Beno DW , Reinhart GA , Fryer RM , Preusser LC , Kempf-Grote AJ , Sham HL , Trevillyan JM
Ref : Journal of Medicinal Chemistry , 49 :6439 , 2006
Abstract :
PubMedSearch : Pei_2006_J.Med.Chem_49_6439
PubMedID: 17064063
Gene_locus related to this paper: human-DPP4

Representative scheme of Prolylcarboxypeptidase structure and an image from PDBsum server


PDB-Sum : 2I78 Previously Class, Architecture, Topology and Homologous superfamily - PDB-Sum server

FSSP : 2I78 Fold classification based on Structure-Structure alignment of Proteins - FSSP server

SCOP : 2I78 Structural Classification Of Protein - SCOP server

PROTEOPEDIA : 2I78 3D, interactive encyclopedia of proteins - PROTEOPEDIA server