AIL
General
Type : Pyrrolidine,Sulfur Compound,Thiazolidine,Carboxamide
Chemical_Nomenclature : N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
Canonical SMILES : C1CSCN1C(=O)C2CC(CN2)CNC(=O)C3=CSC=N3
InChI : InChI=1S\/C13H18N4O2S2\/c18-12(11-6-21-7-16-11)15-5-9-3-10(14-4-9)13(19)17-1-2-20-8-17\/h6-7,9-10,14H,1-5,8H2,(H,15,18)\/t9-,10-\/m0\/s1
InChIKey : KFQMVMSMRNCTET-UWVGGRQHSA-N
Other name(s) : N-{[(3s,5s)-5-(1,3-Thiazolidin-3-Ylcarbonyl)pyrrolidin-3-Yl]methyl}-1,3-Thiazole-4-Carboxamide,CHEMBL1230909,BDBM15526,Thiazole-based peptide mimetic 31,(3s, 5s)-thiazole-4-carboxylic acid [5-(thiazolidine-3-carbonyl)-pyrrolidin-3-ylmethyl]-amide
MW : 326.43
Formula : C13H18N4O2S2
CAS_number :
PubChem : 11716843
UniChem : KFQMVMSMRNCTET-UWVGGRQHSA-N
IUPHAR :
Wikipedia :
Target
Families : AIL ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 2OAE Crystal structure of rat dipeptidyl peptidase (DPPIV) with thiazole-based peptide mimetic nb 31
Protein : ratno-dpp4
References (1)
| Title : Pyrrolidine-constrained phenethylamines: The design of potent, selective, and pharmacologically efficacious dipeptidyl peptidase IV (DPP4) inhibitors from a lead-like screening hit - Backes_2007_Bioorg.Med.Chem.Lett_17_2005 |
| Author(s) : Backes BJ , Longenecker K , Hamilton GL , Stewart K , Lai C , Kopecka H , von Geldern TW , Madar DJ , Pei Z , Lubben TH , Zinker BA , Tian Z , Ballaron SJ , Stashko MA , Mika AK , Beno DW , Kempf-Grote AJ , Black-Schaefer C , Sham HL , Trevillyan JM |
| Ref : Bioorganic & Medicinal Chemistry Lett , 17 :2005 , 2007 |
| Abstract : Backes_2007_Bioorg.Med.Chem.Lett_17_2005 |
| ESTHER : Backes_2007_Bioorg.Med.Chem.Lett_17_2005 |
| PubMedSearch : Backes_2007_Bioorg.Med.Chem.Lett_17_2005 |
| PubMedID: 17276063 |
| Gene_locus related to this paper: ratno-dpp4 , human-DPP4 |