BIOPEP-UWM: Report

ID 268
Name Calpain 1 inhibitor
sequence
VY
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 280.3188 Monoisotopic mass 280.1418
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(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

InChI=1S/C14H20N2O4/c1-8(2)12(15)13(18)16-11(14(19)20)7-9-3-5-10(17)6-4-9/h3-6,8,11-12,17H,7,15H2,1-2H3,(H,16,18)(H,19,20)/t11-,12-/m0/s1

InChIKey: VEYJKJORLPYVLO-RYUDHWBXSA-N


Bioactivity predicted using molecular docking


Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001) according to the AHTPDB database; the BIOPEP database of bioactive peptides (ID 3492); the BRENDA database; the ChEMBL database; the EROP-Moscow database
Inhibitor of Dipeptidyl Peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) according to the BIOPEP-UWM database of bioactive peptides (ID 8929)
Antioxidative peptide according to the BIOPEP-UWM database of bioactive peptides (ID 8224)
Inhibitor of Tripeptidyl peptidase 2 (TPP 2) (EC 3.4.14.10) (MEROPS ID: S08.090) according to the BRENDA database; the ChEMBL database
Inhibitor of Dipeptidyl-peptidase III (EC 3.4.14.4) (MEROPS ID: M49.001) according to the BIOPEP-UWM database of bioactive peptides (ID 9509); the BRENDA database

Bitter peptide according to the BIOPEP-UWM database of sensory peptides and amino acids


Database reference:
AHTPDB: ID 1092; 1111; 1202; 1286; 1401; 1406; 1437; 1439; 1449; 1459; 1461; 1498; 1669; 1854; 1917; 1933; 2026; 2733; 2780; 2935; 2989; 3065; 3167; 3394; 3590; 3594; 3771; 3784; 4050; 4125; 4231; 4241; 4252; 4447; 4456; 4490; 4661; 4945; 4946; 5179; 5451; 5570; 5633; 6151; 6265; 6267; 6281; 6411; 6881

BindingDB: ID 50169147

BioPepDB: ID biopep01501

BIOPEP-UWM database of bioactive peptides: ID 3492; 8224; 8929; 9509

BIOPEP-UWM database of sensory peptides and amino acids: ID 103

BRENDA: Ligand Val-Tyr

CAS: Registry No 3061-91-4

ChEBI: ID 73703

ChEMBL: ID CHEMBL90069

ChemSpider: ID 5373134

DFBP: ID DFBPACEI0004; DFBPANHY0614, DFBPANHY0621, DFBPANHY0643, DFBPANHY0623, DFBPANHY0650, DFBPANOX0771, DFBPANOX0793, DFBPMUFU0001

EROP-Moscow database: ID E09051

J-GLOBAL: ID 200907095117777910

MBPDB: Peptide VY

Metabolights: ID MTBLC73703

Metabolomics Workbench: ID 79054

Nikkaji: ID J149.639E

PubChem: ID 7009554

SATPdb: ID satpdb21554

SDBS: ID SDBS-4359

SureChEMBL: ID SCHEMBL4273366

ZINC: ID ZINC000002384776