BIOPEP-UWM: Report

ID 301
Name Pancreatic elastase inhibitor
sequence
GDAHWVY
Function:
Predicted inhibitor of Pancreatic elastase (EC 3.4.21.36) (MEROPS ID: S01.153) (PDB ID: 1LVY)
 
Number of residues
7
Activity code
pel
Activity :
pancreatic elastase inhibitor
Chemical mass 846.8834 Monoisotopic mass 846.3649
EC50 :
0.00 µM


Bibliographic data:
Authors
Aguilar-Toalá J.E., Liceaga A.M.
Title
Identification of chia seed (Salvia hispanica L.) peptides with enzyme inhibition activity towards skin-aging enzymes. Amino Acids, 52(8), 1149-1159, 2020
Year Source
2020 Journal


Additional information:
BIOPEP-UWM Virtual database


SMILES: NCC(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(C)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O

InChI=1S/C40H50N10O11/c1-20(2)34(39(59)49-31(40(60)61)12-22-8-10-25(51)11-9-22)50-38(58)28(13-23-17-43-27-7-5-4-6-26(23)27)48-37(57)29(14-24-18-42-19-44-24)47-35(55)21(3)45-36(56)30(15-33(53)54)46-32(52)16-41/h4-11,17-21,28-31,34,43,51H,12-16,41H2,1-3H3,(H,42,44)(H,45,56)(H,46,52)(H,47,55)(H,48,57)(H,49,59)(H,50,58)(H,53,54)(H,60,61)/t21-,28-,29-,30-,31-,34-/m0/s1

InChIKey=KYUIUUBNPKZIGQ-VEAQIKNRSA-N


Bioactivity predicted by molecular docking


Database reference: