BIOPEP-UWM: Report

ID 8690
Name dipeptidyl peptidase IV inhibitor (DPP IV inhibitor)
sequence
MW
Function:
Inhibitor of Dipeptidyl Peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003)
 
Number of residues
2
Activity code
dpp
Activity :
dipeptidyl peptidase IV inhibitor
Chemical mass 335.4215 Monoisotopic mass 335.1299
IC50 :
1691.40 µM


Bibliographic data:
Authors
Nongonierma A. B., Mooney C., Shields D. C., FitzGerald R. J.
Title
In silico approaches to predict the potential of milk protein-derivedpeptides as dipeptidyl peptidase IV (DPP-IV) inhibitors. Peptides 57, 43-51
Year Source
2014 Journal


Additional information:
BIOPEP-UWM database of bioactive peptides


SMILES: N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O

InChI=1S/C16H21N3O3S/c1-23-7-6-12(17)15(20)19-14(16(21)22)8-10-9-18-13-5-3-2-4-11(10)13/h2-5,9,12,14,18H,6-8,17H2,1H3,(H,19,20)(H,21,22)/t12-,14-/m0/s1

InChIKey: XYVRXLDSCKEYES-JSGCOSHPSA-N


Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001) according to the AHTPDB database; the BindingDB database; the BIOPEP-UWM database of bioactive peptides (ID 9091); the BRENDA database; the ChEMBL database; the EROP-Moscow database; the PubChem database


Database reference:
ACToR: ID 60535-02-6

AHTPDB: ID 1084, 1467, 1512, 2029, 2225, 2787, 4236, 4723, 5165, 6159

BindingDB: ID 50049749

BioPepDB: ID biopep00984

BIOPEP-UWM database of bioactive peptides: ID 9091

BRENDA: Ligand Met-Trp

ChEBI: ID 74709

ChEMBL: ID CHEMBL3321992

ChemSpider: ID 2338590

EPA CompTox: ID DTXSID60209279

EPA DSSTox: ID DTXCID30131770

EROP-Moscow: ID E09199

J-GLOBAL: ID 200907031929831481

Metabolights: ID MTBLC74709

Nikkaji: ID J1.302.732C

PubChem: CID 3080870

SATPdb: ID satpdb12133

SureChEMBL: ID SCHEMBL7048700

ZINC: ID ZINC000002384976