BIOPEP-UWM: Report
| ID | 143 |
| Name | Acetylcholinesterase inhibitor |
| sequence |
| Function: | |||
| Predicted ligand of Acetylcholinesterase (EC 3.1.1.7) (PDB ID: 4BDT) | |||
| Number of residues | 9 |
Activity code | ache |
| Activity : | AChE inhibitor |
|||
| Chemical mass | 1307.5668 | Monoisotopic mass | 1306.7061 | |
| EC50 : | 0.00 µM |
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| Bibliographic data: | |
| Authors | |
| Dastan D., Zhiyani R., Fasihi K., Ebadi A. | |
| Title | |
| An arginine-rich peptide inhibits AChE: template-based design, molecular modeling, synthesis and biological evaluation. J. Mol. Model., 28, 86, 2022 | |
| Year | Source |
| 2022 | Journal |
| Additional information: |
| BIOPEP-UWM Virtual database SMILES: 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])(CC(C)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)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O InChI=1S/C59H94N20O12S/c1-32(2)25-44(77-54(88)45(26-33(3)4)76-52(86)43(20-24-92-5)75-49(83)40(9-6-21-68-57(61)62)72-48(82)39(60)29-36-30-67-31-71-36)53(87)74-41(10-7-22-69-58(63)64)50(84)73-42(11-8-23-70-59(65)66)51(85)78-46(27-34-12-16-37(80)17-13-34)55(89)79-47(56(90)91)28-35-14-18-38(81)19-15-35/h12-19,30-33,39-47,80-81H,6-11,20-29,60H2,1-5H3,(H,67,71)(H,72,82)(H,73,84)(H,74,87)(H,75,83)(H,76,86)(H,77,88)(H,78,85)(H,79,89)(H,90,91)(H4,61,62,68)(H4,63,64,69)(H4,65,66,70)/t39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 InChIKey=GADWILQXLSPBKA-CSYZDTNESA-N Bioactivity predicted using molecular docking |
| Database reference: |