BIOPEP-UWM: Report

ID 297
Name Pancreatic elastase inhibitor
sequence
APHWYTN
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 887.9352 Monoisotopic mass 887.3914
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:
N[C@@]([H])(C)C(=O)N1[C@@]([H])(CCC1)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](CC1=CC=C(C=C1)O)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(CC(=O)N)C(=O)O

InChI=1S/C42H53N11O11/c1-21(43)41(62)53-13-5-8-33(53)39(60)50-31(16-25-19-45-20-47-25)37(58)49-30(15-24-18-46-28-7-4-3-6-27(24)28)36(57)48-29(14-23-9-11-26(55)12-10-23)38(59)52-35(22(2)54)40(61)51-32(42(63)64)17-34(44)56/h3-4,6-7,9-12,18-22,29-33,35,46,54-55H,5,8,13-17,43H2,1-2H3,(H2,44,56)(H,45,47)(H,48,57)(H,49,58)(H,50,60)(H,51,61)(H,52,59)(H,63,64)/t21-,22+,29-,30-,31-,32-,33-,35-/m0/s1

InChIKey=SKPFODDUTVMUGZ-VPPCAKBHSA-N


Bioactivity predicted by molecular docking


Database reference: