BIOPEP-UWM: Report

ID 623
Name ACE inhibitor
sequence
PF
Function:
Predicted inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001)
 
Number of residues
2
Activity code
ah
Activity :
ACE inhibitor
Chemical mass 262.3036 Monoisotopic mass 262.1313
EC50 :
0.00 µM


Bibliographic data:
Authors
Gu J., Yue S., Yang X., Lu Z., Wang Z., Wei X., Zhou L., Zhao Z., Shi Z., Zhao Z.
Title
Three-dimensional holograph vector of atomic interaction field (3D-HoVAIF): a novel rotation-translation invariant 3D structure descriptor and its applications to peptides. J. Pept. Sci., 13, 549-566, 2007
Year Source
2007 Journal


Additional information:
BIOPEP-UWM Virtual database




SMILES: N1[C@@]([H])(CCC1)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)O

InChI=1S/C14H18N2O3/c17-13(11-7-4-8-15-11)16-12(14(18)19)9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2,(H,16,17)(H,18,19)/t11-,12-/m0/s1

InChIKey=IWIANZLCJVYEFX-RYUDHWBXSA-N


Activity predicted using QSAR


Inhibitor of Dipeptidyl Peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) the BIOPEP-UWM database of bioactive peptides (ID 8854)
Inhibitor of Dipeptidyl peptidase-III (DPP-III) (EC 3.4.14.4) (MEROPS ID: M49.001) according to the BIOPEP-UWM database of bioactive peptides (ID 9505)

Inhibitor of angiotensin-converting enzyme 2 (EC 3.4.17.23; MEROPS ID: M02.006) according to the BIOPEP-UWM database of bioactive peptides (ID 10460)


Bitter peptide according to the BIOPEP-UWM database of sensory peptides and amino acids (ID 55); the ChEMBL database; the PubChem database


Database reference:
AHTPDB: ID 3875

BIOPEP-UWM database of bioactive peptides: ID 8854; 9505; 10460

BIOPEP-UWM database of sensory peptides and amino acids: ID 55

BRENDA: Ligand Pro-Phe

CAS: Registry No 13589-02-1

ChEBI: ID 74795

ChEMBL: ID CHEMBL52922

ChemSpider: ID 4894402

EROP-Moscow: ID E03992

HMDB: ID HMDB0011179

J-GLOBAL: ID 200907023710790183

Metabolights: ID MTBLC74795

Metabolomics Workbench: ID 78949

Nikkaji: ID J120.395I

PubChem: ID 6351946

SATPdb: ID satpdb18871

SureChEMBL: ID SCHEMBL601567

UniChem: ID 384204

Wikidata: ID Q27144906

ZINC: ID ZINC000004038394