BIOPEP-UWM: Report
| ID | 10221 |
| Name | Acetylcholinesterase inhibitor |
| sequence |
| Function: | |||
| Inhibitor of Acetylcholinesterase (EC 3.1.1.7) | |||
| Number of residues | 9 |
Activity code | ache |
| Activity : | AChE inhibitor |
|||
| Chemical mass | 1346.4845 | Monoisotopic mass | 1345.5902 | |
| IC50 : | 16.00 µM |
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| Bibliographic data: | |
| Authors | |
| Tahmasebi E., Dastan D., Ebadi A. | |
| Title | |
| Design, synthesis and biological evaluation of anticholinesterase peptides: fragment-based vs. template-based peptide design. Bioorg. Chem., 105, 104351, 2020 | |
| Year | Source |
| 2020 | 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])([C@]([H])(O)C)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)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O InChI=1S/C73H79N13O13/c1-39(2)64(71(96)84-62(73(98)99)33-46-37-78-57-19-11-7-15-52(46)57)85-70(95)61(32-45-36-77-56-18-10-6-14-51(45)56)82-68(93)59(29-42-22-26-48(89)27-23-42)80-63(90)38-79-67(92)58(28-41-20-24-47(88)25-21-41)81-69(94)60(31-44-35-76-55-17-9-5-13-50(44)55)83-72(97)65(40(3)87)86-66(91)53(74)30-43-34-75-54-16-8-4-12-49(43)54/h4-27,34-37,39-40,53,58-62,64-65,75-78,87-89H,28-33,38,74H2,1-3H3,(H,79,92)(H,80,90)(H,81,94)(H,82,93)(H,83,97)(H,84,96)(H,85,95)(H,86,91)(H,98,99)/t40-,53+,58+,59+,60+,61+,62+,64+,65+/m1/s1 InChIKey=ZIMMMSOJIAEVQY-GEHMSKBFSA-N |
| Database reference: |