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

Target

Families : AIL ligand of proteins in family
DPP4N_Peptidase_S9

Structure :
2OAE

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 :
PubMedSearch : Backes_2007_Bioorg.Med.Chem.Lett_17_2005
PubMedID: 17276063
Gene_locus related to this paper: ratno-dpp4 , human-DPP4