p-Iodo-Phe-Pyr-CN

General

Type : Peptide, Pyrrolidine, Cyanide

Chemical_Nomenclature : 1-(2-(S)-cyanopyrrolidin-1-yl)-3-(4-iodophenyl)-1-oxopropan-2-aminium

Canonical SMILES : C1CC(N(C1)C(=O)C(CC2=CC=C(C=C2)I)N)C#N

InChI : InChI=1S\/C14H16IN3O\/c15-11-5-3-10(4-6-11)8-13(17)14(19)18-7-1-2-12(18)9-16\/h3-6,12-13H,1-2,7-8,17H2\/t12-,13-\/m0\/s1

InChIKey : PQFUJTFHVDWNOF-STQMWFEESA-N

Other name(s) : CHEMBL199881  ||  D0PB2M  ||  SCHEMBL3260399  ||  BDBM11116  ||  4-iodophenyl-alaninyl-(S)-2-cyano-pyrrolidine  ||  4-substituted phenylalanine cyano-(S)-pyrrolidine deriv. 3


MW : 369.20

Formula : C14H16IN3O

CAS_number :

PubChem : 23645372

UniChem : PQFUJTFHVDWNOF-STQMWFEESA-N

Target

Families : p-Iodo-Phe-Pyr-CN ligand of proteins in family
DPP4N_Peptidase_S9

Structure :
1ORW

Protein :
pig-dpp4

References (2)

Title : Discovery, SAR, and X-ray structure of novel biaryl-based dipeptidyl peptidase IV inhibitors - Qiao_2006_Bioorg.Med.Chem.Lett_16_123
Author(s) : Qiao L , Baumann CA , Crysler CS , Ninan NS , Abad MC , Spurlino JC , Desjarlais RL , Kervinen J , Neeper MP , Bayoumy SS , Williams R , Deckman IC , Dasgupta M , Reed RL , Huebert ND , Tomczuk BE , Moriarty KJ
Ref : Bioorganic & Medicinal Chemistry Lett , 16 :123 , 2006
Abstract :
PubMedSearch : Qiao_2006_Bioorg.Med.Chem.Lett_16_123
PubMedID: 16236500
Gene_locus related to this paper: human-DPP4

Title : The crystal structure of dipeptidyl peptidase IV (CD26) reveals its functional regulation and enzymatic mechanism - Engel_2003_Proc.Natl.Acad.Sci.U.S.A_100_5063
Author(s) : Engel M , Hoffmann T , Wagner L , Wermann M , Heiser U , Kiefersauer R , Huber R , Bode W , Demuth HU , Brandstetter H
Ref : Proc Natl Acad Sci U S A , 100 :5063 , 2003
Abstract :
PubMedSearch : Engel_2003_Proc.Natl.Acad.Sci.U.S.A_100_5063
PubMedID: 12690074
Gene_locus related to this paper: pig-dpp4