BIOPEP-UWM: Report
| ID | 10929 |
| Name | Acetylcholinesterase inhibitor |
| sequence |
| Function: | |||
| Inhibitor of Acetylcholinesterase (EC 3.1.1.7) | |||
| Number of residues | 6 |
Activity code | ache |
| Activity : | AChE inhibitor |
|||
| Chemical mass | 945.0999 | Monoisotopic mass | 944.4427 | |
| IC50 : | 3.97 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: N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@]([H])(CCCNC(=N)N)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])(CS)C(=O)N InChI=1S/C44H7N14O8S/c45-30(19-24-9-13-27(59)14-10-24)38(62)54-32(7-3-17-51-43(47)48)39(63)55-33(8-4-18-52-44(49)50)40(64)57-35(21-26-22-53-31-6-2-1-5-29(26)31)42(66)56-34(20-25-11-15-28(60)16-12-25)41(65)58-36(23-67)37(46)61/h30,32-36,53H/t30-,32-,33-,34-,35-,36-/m0/s1 InChIKey=QZWAWRFGZSMZRL-VCAFKBFISA-N Activity measured against human acetylcholinesterase. |
| Database reference: |