BIOPEP-UWM: Report

ID 267
Name Calpain 1 inhibitor
sequence
IL
Function:
Predicted ligand of calpain 1 (EC 3.4.22.52) (AlphaFold ID: AF-P07384-F1)
 
Number of residues
2
Activity code
cal1
Activity :
calpain 1 inhibitor
Chemical mass 244.3296 Monoisotopic mass 244.1781
EC50 :
0.00 µM


Bibliographic data:
Authors
Fatoki T. H., Aluko R. E., Udenigwe C. C.
Title
In silico investigation of molecular targets, pharmacokinetics, and biological activities of chicken egg ovalbumin protein hydrolysates. J. Food Bioact., 17, 34–48, 2022
Year Source
2022 Journal


Additional information:
BIOPEP-UWM Virtual database


SMILES: N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)[C@H](CC)C

InChI=1S/C12H24N2O3/c1-5-8(4)10(13)11(15)14-9(12(16)17)6-7(2)3/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)/t8-,9-,10-/m0/s1

InChIKey: JWBXCSQZLLIOCI-GUBZILKMSA-N


Bioactivity predicted using molecular docking


Inhibitor of Dipeptidyl Peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) according to the BIOPEP-UWM database of bioactive peptides (ID 8802)
Stimulator of glucose uptake according to the BIOPEP-UWM database of bioactive peptides (ID 8323); the EROP-Moscow database
Inhibitor of Angiotensin-converting enzyme (EC 3.4.15.1) (MEROPS ID: M02-001) according to the AHTPDB database; the BIOPEP-UWM database of bioactive peptides (ID 9079)
Antinociceptive neuropeptide according to the ChEMBL database; the PubChem database
Inhibitor of citrulline uptake in yeasts according to the ChEMBL database; the PubChem database


Bitter peptide according to the BIOPEP-UWM database of sensory peptides and amino acids (ID 194); the ChEMBL database


Database reference:
AHTPDB: ID 1438; 3860; 5410

BindingDB: ID 50282190

BioPepDB: ID biopep00542

BIOPEP-UWM database of bioactive peptides: ID 8323; 8079; 9079

BIOPEP-UWM database of sensory peptides and amino acids: ID 194

BRENDA: Ligand Ile-Ieu

CAS: Registry No 26462-22-6

ChEBI: ID 74072

ChEMBL: ID CHEMBL48832

ChemSpider: ID 5382050

DFBP: ID DFBPACEI0369; DFBPDPIV0120; DFBPSTPE0015; DFBPMUFU0113

EPA CompTox: ID DTXSID00427071

EPA DSSTox: ID DTXCID40377905

EROP-Moscow: ID E10605

J-GLOBAL: ID 200907038945135805

Metabolights: ID MTBLC74072

Metabolomics Workbench: ID 78846

Nikkaji: ID J1.013.425K

PubChem: ID 7019083

SATPdb: ID satpdb25152

SureChEMBL: ID SCHEMBL3010040

ZINC: ID ZINC02556613