Basic Information
ID: ALA3887129
Type: Binding
Description: Binding Assay: In initial studies, we designed a set of molecules with branching at the nitrogen of the carbamate side chain as well as the carbon adjacent to the nitrogen. Two mutant channels were also constructed by site-directed mutagenesis. The β-STXo1 data points were collected to demonstrate that STX and its derivatives were oriented similarly within the channel pore. The similar reductions in affinity for STX to β-STXo1 and for cyclohexyl STX to cyclohexyl β-STXo1 provide strong initial evidence that the two molecules both reside in a similar orientation in the channel pore.
Activity Charts
Bioactivity
Activity Types for Assay ALA3887129
IC50
Compound Summary
| Parent Molecular Weight | ALogP | Polar Surface Area |
|---|---|---|
| 299.29 | -3.43 | -3.43 |
| 414.46 | -0.98 | -0.98 |
| 381.44 | -1.47 | -1.47 |
| 593.69 | 1.21 | 1.21 |
| 624.85 | 1.09 | 1.09 |
| 384.48 | -0.04 | -0.04 |
| 551.60 | 0.04 | 0.04 |
| 342.40 | -1.21 | -1.21 |
| 399.50 | -1.10 | -1.10 |
| 341.37 | -2.39 | -2.39 |
| 353.38 | -2.30 | -2.30 |