BIOPEP-UWM: Report
| ID | 10930 |
| 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 | 1128.2860 | Monoisotopic mass | 1127.6085 | |
| IC50 : | 17.59 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](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@]([H])(CCCCN)C(=O)NCC(=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])(CCCNC(=N)N)C(=O)N[C@@]([H])(CO)C(=O)N InChI=1S/C52H9N19O10/c53-18-6-5-14-36(68-50(81)40(70-47(78)35-15-7-19-59-35)23-30-25-63-34-13-4-2-11-32(30)34)45(76)65-27-43(74)67-39(22-29-24-62-33-12-3-1-10-31(29)33)49(80)69-37(16-8-20-60-51(55)56)46(77)64-26-42(73)66-38(17-9-21-61-52(57)58)48(79)71-41(28-72)44(54)75/h35-41,62-63H/t35-,36-,37-,38-,39-,40-,41-/m0/s1 InChIKey=DHTLDJNZWXYXMN-IFLLZMBLSA-N Activity measured against human acetylcholinesterase. |
| Database reference: |