Calmodulin antagonists: Structure of <i>N</i>-(6-aminohexyl)-5-chloro-1-naphthalenesulfonamide hydrochloride (W-7) and comparison with trifluoperazine (TFP) Calmodulin binding
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Bibliographic record
Abstract
The crystal structure of the title compound contains one N-(6-aminohexyl)-5-chloro-1-naphthalenesulfonamide hydrochloride molecule in the asymmetric unit. The molecule adopts an extended conformation with a linear hexyl group. Protonation occurs at the side chain terminal nitrogen atom. Hydrophobic packing and a three-dimensional hydrogen-bond network, involving all the hydrogen atoms capable of making hydrogen-bond contacts, stabilizes the crystal structure. Due to head-to-head and tail-to-tail arrangement of these hydrophobic molecules, an unusually long cell constant (b = 61.27 Å) characterizes the crystal structure. A stereochemical comparison with trifluoperazine suggests similar calmodulin binding mechanisms.Key words: crystal structure, stereochemistry, W-7, calmodulin binding, TFP.
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Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it