BIOPEP-UWM: Report

ID 300
Name Pancreatic elastase inhibitor
sequence
GDAHWTY
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 848.8563 Monoisotopic mass 848.3442
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@]([H])(O)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O

InChI=1S/C39H48N10O12/c1-19(44-35(56)29(14-32(53)54)45-31(52)15-40)34(55)46-28(13-23-17-41-18-43-23)36(57)47-27(12-22-16-42-26-6-4-3-5-25(22)26)37(58)49-33(20(2)50)38(59)48-30(39(60)61)11-21-7-9-24(51)10-8-21/h3-10,16-20,27-30,33,42,50-51H,11-15,40H2,1-2H3,(H,41,43)(H,44,56)(H,45,52)(H,46,55)(H,47,57)(H,48,59)(H,49,58)(H,53,54)(H,60,61)/t19-,20+,27-,28-,29-,30-,33-/m0/s1

InChIKey=DZPVBCMINWKNNN-ZYOLFDTHSA-N


Bioactivity predicted by molecular docking


Database reference: