BIOPEP-UWM: Report
| ID | 526 |
| Name | ERK1 inhibitor |
| sequence |
| Function: | |||
| Predicted ligand of the ERK1 (PDB ID: 4QTB) | |||
| Number of residues | 9 |
Activity code | erk1 |
| Activity : | erk1 inhibitor |
|||
| Chemical mass | 1081.2247 | Monoisotopic mass | 1080.5812 | |
| EC50 : | 0.00 µM |
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| 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])(CC(C)C)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(C)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)O InChI=1S/C49H76N16O12/c1-26(2)21-31(50)41(70)65-37(25-66)46(75)64-36(24-38(51)67)45(74)60-32(17-11-19-56-48(52)53)42(71)59-27(3)39(68)58-28(4)40(69)62-34(22-29-13-7-5-8-14-29)44(73)63-35(23-30-15-9-6-10-16-30)43(72)61-33(47(76)77)18-12-20-57-49(54)55/h5-10,13-16,26-28,31-37,66H,11-12,17-25,50H2,1-4H3,(H2,51,67)(H,58,68)(H,59,71)(H,60,74)(H,61,72)(H,62,69)(H,63,73)(H,64,75)(H,65,70)(H,76,77)(H4,52,53,56)(H4,54,55,57)/t27-,28-,31-,32-,33-,34-,35-,36-,37-/m0/s1 InChIKey=LCDPBNFNODEEJK-GUVZBJCPSA-N Activity predicted using molecular docking |
| Database reference: |