BIOPEP-UWM: Report

ID 299
Name Pancreatic elastase inhibitor
sequence
GDAHWAY
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 818.8304 Monoisotopic mass 818.3337
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(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O

InChI=1S/C38H46N10O11/c1-19(44-36(56)29(14-32(51)52)45-31(50)15-39)33(53)46-28(13-23-17-40-18-42-23)37(57)47-27(12-22-16-41-26-6-4-3-5-25(22)26)35(55)43-20(2)34(54)48-30(38(58)59)11-21-7-9-24(49)10-8-21/h3-10,16-20,27-30,41,49H,11-15,39H2,1-2H3,(H,40,42)(H,43,55)(H,44,56)(H,45,50)(H,46,53)(H,47,57)(H,48,54)(H,51,52)(H,58,59)/t19-,20-,27-,28-,29-,30-/m0/s1

InChIKey=SQOSFPQLAKSNAT-UPGNQYTMSA-N


Bioactivity predicted by molecular docking


Database reference: