BIOPEP-UWM: Report
| ID | 10940 |
| Name | Acetylcholinesterase inhibitor |
| sequence |
| Function: | |||
| Inhibitor of Acetylcholinesterase (EC 3.1.1.7) | |||
| Number of residues | 11 |
Activity code | ache |
| Activity : | AChE inhibitor |
|||
| Chemical mass | 1115.3033 | Monoisotopic mass | 1114.5576 | |
| IC50 : | 19.18 µM |
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| Bibliographic data: | |
| Authors | |
| Sanchis I., Aimaretti F., Lupotti M., Rietmann A., Dias J., Brazzolotto X., Spinelli R., Siano A. S. | |
| Title | |
| Specific Rosetta-based protein-peptide prediction protocol allows the design of novel cholinesterase inhibitor peptides. Bioorg. Chem., 156, 108202, 2025 | |
| Year | Source |
| 2025 | Journal |
| Additional information: |
| BIOPEP-UWM database of bioactive peptides SMILES: N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CCSC)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CO)C(=O)N InChI=1S/C50H78N14O13S/c1-9-24(2)39(50(77)61-34(16-17-38(51)66)48(75)63-37(23-65)40(52)67)64-45(72)29(7)56-42(69)26(4)59-49(76)36(21-30-22-54-32-14-11-10-13-31(30)32)62-44(71)27(5)55-41(68)25(3)58-47(74)35(18-20-78-8)60-43(70)28(6)57-46(73)33-15-12-19-53-33/h10-11,13-14,22,24-29,33-37,39,53-54,65H,9,12,15-21,23H2,1-8H3,(H2,51,66)(H2,52,67)(H,55,68)(H,56,69)(H,57,73)(H,58,74)(H,59,76)(H,60,70)(H,61,77)(H,62,71)(H,63,75)(H,64,72)/t24-,25-,26-,27-,28-,29-,33-,34-,35-,36-,37-,39-/m0/s1 InChIKey=MVJRNHILPUSJQW-QPSWTEEBSA-N Activity measured against human acetylcholinesterase. |
| Database reference: |