BIOPEP-UWM: Report
| ID | 10933 |
| 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 | 1348.5741 | Monoisotopic mass | 1347.6640 | |
| IC50 : | 1.21 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=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)NCC(=O)N[C@@]([H])(C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@]([H])(CCCCN)C(=O)NCC(=O)N[C@@]([H])(CS)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CO)C(=O)N InChI=1S/C64H89N19O12S/c1-4-34(2)54(63(95)82-50(32-84)55(67)87)83-62(94)51(33-96)77-53(86)31-75-58(90)46(20-11-12-22-65)78-60(92)48(25-37-28-72-44-18-9-6-15-40(37)44)80-56(88)35(3)76-52(85)30-74-59(91)47(21-13-23-70-64(68)69)79-61(93)49(26-38-29-73-45-19-10-7-16-41(38)45)81-57(89)42(66)24-36-27-71-43-17-8-5-14-39(36)43/h5-10,14-19,27-29,34-35,42,46-51,54,71-73,84,96H,4,11-13,20-26,30-33,65-66H2,1-3H3,(H2,67,87)(H,74,91)(H,75,90)(H,76,85)(H,77,86)(H,78,92)(H,79,93)(H,80,88)(H,81,89)(H,82,95)(H,83,94)(H4,68,69,70)/t34-,35-,42-,46-,47-,48-,49-,50-,51-,54-/m0/s1 InChIKey=VBQDIRRCHNDVDN-XIVPNYMISA-N Activity measured against human acetylcholinesterase. |
| Database reference: |