BIOPEP-UWM: Report
| ID | 10941 |
| Name | Butyrylcholinestrase inhibitor |
| sequence |
| Function: | |||
| Inhibitor of Butyrylcholinestrase (EC 3.1.1.8) | |||
| Number of residues | 11 |
Activity code | bche |
| Activity : | BChE inhibitor |
|||
| Chemical mass | 1376.5891 | Monoisotopic mass | 1375.7025 | |
| IC50 : | 13.00 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: N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(CCSC)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CO)C(=O)N InChI=1S/C60H93N23O13S/c1-30(48(87)75-32(3)50(89)82-45(28-84)47(62)86)74-49(88)31(2)76-52(91)40(16-9-20-69-58(63)64)79-56(95)44(25-34-27-73-39-15-8-6-13-36(34)39)81-55(94)43(19-23-97-4)80-57(96)46(29-85)83-54(93)42(18-11-22-71-60(67)68)78-53(92)41(17-10-21-70-59(65)66)77-51(90)37(61)24-33-26-72-38-14-7-5-12-35(33)38/h5-8,12-15,26-27,30-32,37,40-46,72-73,84-85H,9-11,16-25,28-29,61H2,1-4H3,(H2,62,86)(H,74,88)(H,75,87)(H,76,91)(H,77,90)(H,78,92)(H,79,95)(H,80,96)(H,81,94)(H,82,89)(H,83,93)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t30-,31-,32-,37-,40-,41-,42-,43-,44-,45-,46-/m0/s1 InChIKey=NSIPQQSIHBFQQH-YFTKUWEXSA-N Activity measured against human butyrylcholinesterase. |
| Database reference: |