BIOPEP-UWM: Report

ID 525
Name ERK1 inhibitor
sequence
TNEDPYTIDVES
Function:
Predicted ligand of the ERK1 (PDB ID: 4QTB)
 
Number of residues
12
Activity code
erk1
Activity :
erk1 inhibitor
Chemical mass 1382.3794 Monoisotopic mass 1381.5863
EC50 :
0.00 µM


Bibliographic data:
Authors
Martiz R. M., Ramu R., Nambisan H., Suhail A., Raish M., Patil S. M., Ashwini P., Mahesh B., Przybyłek M., Bełdowski P., Sionkowska A., Li K., Tang X.
Title
Identification and 3D modeling of bioactive peptides from Lactobacillus brevis RAMULAB49 protein hydrolysate with in silico ERK1 phosphorylation inhibition activity targeting diabetic nephropathy. PLoS One, 20, e0331192, 2025
Year Source
2025 Journal


Additional information:
BIOPEP-UWM Virtual database


SMILES:
N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N1[C@@]([H])(CCC1)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])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CO)C(=O)O

InChI=1S/C58H87N13O26/c1-7-25(4)45(55(93)65-34(21-41(81)82)51(89)68-44(24(2)3)54(92)62-31(15-17-40(79)80)48(86)67-36(23-72)58(96)97)69-56(94)46(27(6)74)70-50(88)32(19-28-10-12-29(75)13-11-28)63-52(90)37-9-8-18-71(37)57(95)35(22-42(83)84)66-47(85)30(14-16-39(77)78)61-49(87)33(20-38(59)76)64-53(91)43(60)26(5)73/h10-13,24-27,30-37,43-46,72-75H,7-9,14-23,60H2,1-6H3,(H2,59,76)(H,61,87)(H,62,92)(H,63,90)(H,64,91)(H,65,93)(H,66,85)(H,67,86)(H,68,89)(H,69,94)(H,70,88)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,96,97)/t25-,26+,27+,30-,31-,32-,33-,34-,35-,36-,37-,43-,44-,45-,46-/m0/s1

InChIKey=WSIBUAICGBBROG-BLYDZQILSA-N


Activity predicted using molecular docking


Database reference: