BIOPEP-UWM: Report

ID 3531
Name ACE inhibitor from alphas1-CN
sequence
PLW

Function:
Inhibitor of Angiotensin-converting enzyme (EC 3.4.15.1) (MEROPS ID: M02-001)
 
Number of residues
3
Activity code
ah
Activity :
ACE inhibitor
Chemical mass 414.4968 Monoisotopic mass 414.2260
EC50 :
36.00 µM



Bibliographic data:
Authors
Maruyama S., Mitachi H., Tanaka H., Tomizuka N., Suzuki H.
Title
Angiotensin-I converting enzyme inhibitory activity of the C-terminal hexapeptide of a-casein. Agric.Biol.Chem., 51, 2557-2561(1987)
Year Source
1987 Journal



Additional information:
BIOPEP-UWM database of bioactive peptides

SMILES: N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O

InChI=1S/C22H30N4O4/c1-13(2)10-18(25-20(27)17-8-5-9-23-17)21(28)26-19(22(29)30)11-14-12-24-16-7-4-3-6-15(14)16/h3-4,6-7,12-13,17-19,23-24H,5,8-11H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)/t17-,18-,19-/m0/s1

InChIKey=SRBFGSGDNNQABI-FHWLQOOXSA-N



IC50(EC50)=22 from: Meisel H., Walsh D. J., Murray B., FitzGerald R. J.(2006). ACE inhibitory peptides. in: Nutraceutical proteins and peptides in health and disease. Mine Y., Shahidi F. (Eds.), CRC Taylor & Francis Group, Boca Raton, London, New York, 269-315.

Predicted ligand of SARS-CoV-2 parent protease (EC 3.4.22.69) (MEROPS ID: C30.007) (PDB ID: 6LU7) according to the BIOPEP-UWM Virtual database (ID 56)



Database reference:
AHTPDB: ID 1177, 1603, 2245, 4388, 5102, 6449

BindingDB: ID BDBM50348864

BioPepDB: ID biopep01069

BIOPEP-UWM Virtual database: ID 56

ChEBI: ID 162451

ChEMBL: ID CHEMBL1807681

ChemSpider: ID 26618431

EROP-Moscow: ID E14733

FeptideDB: ID 3531

J-GLOBAL: ID 200907069117859932

MetaNetX: compound Pro-Leu-Trp; ID MNXM1125041

Nikkaji: ID J2.244.245G

PubChem: CID 4320140

SATPdb: ID satpdb17916

SureChEMBL: ID SCHEMBL9653545

ZINC: ID ZINC000039812739