BIOPEP-UWM: Report
| ID | 10223 |
| Name | Acetylcholinesterase inhibitor |
| sequence |
| Function: | |||
| Inhibitor of Acetylcholinesterase (EC 3.1.1.7) | |||
| Number of residues | 10 |
Activity code | ache |
| Activity : | AChE inhibitor |
|||
| Chemical mass | 1325.4945 | Monoisotopic mass | 1324.6650 | |
| IC50 : | 51.20 µM |
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| Bibliographic data: | |
| Authors | |
| Dastan D., Fasihi K., Ebadi A. | |
| Title | |
| From venom to AChE inhibitor: design, molecular modeling, and synthesis of a peptidic inhibitor of AChE. Int. J. Pept. Res. Ther., 27, 463–474, 2021 | |
| Year | Source |
| 2021 | Journal |
| Additional information: |
| BIOPEP-UWM database of bioactive peptides SMILES: N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(CC(=O)N)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])(CCCNC(=N)N)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O InChI=1S/C54H92N20O17S/c1-25(2)21-35(71-45(84)34(16-20-92-5)68-43(82)31(9-6-17-63-52(57)58)66-48(87)36(24-38(56)78)70-42(81)30(55)23-39(79)80)47(86)67-33(11-8-19-65-54(61)62)46(85)73-41(27(4)76)50(89)74-40(26(3)75)49(88)69-32(10-7-18-64-53(59)60)44(83)72-37(51(90)91)22-28-12-14-29(77)15-13-28/h12-15,25-27,30-37,40-41,75-77H,6-11,16-24,55H2,1-5H3,(H2,56,78)(H,66,87)(H,67,86)(H,68,82)(H,69,88)(H,70,81)(H,71,84)(H,72,83)(H,73,85)(H,74,89)(H,79,80)(H,90,91)(H4,57,58,63)(H4,59,60,64)(H4,61,62,65)/t26-,27-,30+,31+,32+,33+,34+,35+,36+,37+,40+,41+/m1/s1 InChIKey=HEWMGAXGVGWWIQ-WJBOKMOASA-N |
| Database reference: |