BIOPEP-UWM: Report
| ID | 10222 |
| 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 | 1246.4427 | Monoisotopic mass | 1245.6495 | |
| IC50 : | 23.60 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])(CC(=O)N)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@]([H])(CCSC)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O InChI=1S/C52H87N21O13S/c1-26(2)20-36(71-45(81)35(15-19-87-4)68-42(78)32(8-5-16-62-50(55)56)67-46(82)37(22-29-24-61-25-65-29)70-41(77)31(53)23-39(54)76)47(83)73-40(27(3)74)48(84)69-34(10-7-18-64-52(59)60)43(79)66-33(9-6-17-63-51(57)58)44(80)72-38(49(85)86)21-28-11-13-30(75)14-12-28/h11-14,24-27,31-38,40,74-75H,5-10,15-23,53H2,1-4H3,(H2,54,76)(H,61,65)(H,66,79)(H,67,82)(H,68,78)(H,69,84)(H,70,77)(H,71,81)(H,72,80)(H,73,83)(H,85,86)(H4,55,56,62)(H4,57,58,63)(H4,59,60,64)/t27-,31+,32+,33+,34+,35+,36+,37+,38+,40+/m1/s1 InChIKey=UZXNKCXTHGOPIK-LDZQHPPOSA-N |
| Database reference: |