FPB
Reversed Amide Inhibitor: reverse binding to DPP-4 when compared to classical DPP-4 inhibitors
General
Type : Pyrrolidine
Chemical_Nomenclature : N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]benzamide
Canonical SMILES : C1CC(N(C1)C(=O)CC(CC2=CC=CC=C2F)N)CNC(=O)C3=CC=CC=C3
InChI : InChI=1S\/C22H26FN3O2\/c23-20-11-5-4-9-17(20)13-18(24)14-21(27)26-12-6-10-19(26)15-25-22(28)16-7-2-1-3-8-16\/h1-5,7-9,11,18-19H,6,10,12-15,24H2,(H,25,28)\/t18-,19+\/m1\/s1
InChIKey : ANQHSFFUNMTTRS-MOPGFXCFSA-N
Other name(s) : N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide,2bub,N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]benzamide,AC1NUV3C
MW : 383.46
Formula : C22H26FN3O2
CAS_number :
PubChem : 5494422
UniChem : ANQHSFFUNMTTRS-MOPGFXCFSA-N
IUPHAR :
Wikipedia :
Target
Families : FPB ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 2BUB Crystal structure of human dipaptidyl peptidase IV (CD26) in complex with a reverse amide inhibitor
Protein : human-DPP4
References (1)
| Title : The reversed binding of beta-phenethylamine inhibitors of DPP-IV: X-ray structures and properties of novel fragment and elaborated inhibitors - Nordhoff_2006_Bioorg.Med.Chem.Lett_16_1744 |
| Author(s) : Nordhoff S , Cerezo-Galvez S , Feurer A , Hill O , Matassa VG , Metz G , Rummey C , Thiemann M , Edwards PJ |
| Ref : Bioorganic & Medicinal Chemistry Lett , 16 :1744 , 2006 |
| Abstract : Nordhoff_2006_Bioorg.Med.Chem.Lett_16_1744 |
| ESTHER : Nordhoff_2006_Bioorg.Med.Chem.Lett_16_1744 |
| PubMedSearch : Nordhoff_2006_Bioorg.Med.Chem.Lett_16_1744 |
| PubMedID: 16376544 |
| Gene_locus related to this paper: pig-dpp4 |