Completed Docks
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| Receptor | Odorant | Dock Date | Enthalpy, Occlusion, # Poses | Agonist Y/N, | Prediction | |
|---|---|---|---|---|---|---|
| ID | Name | (UTC) | active | inactive | EC50, crvtop | Score |
| OR1A1 | 3-methyl-2,4-nonanedione | 2026-03-20 20:23:11 | -19.61 / 0.89 / 1 | -18.44 / 0.83 / 1 | Y -6.55/10 | 10.1 |
| OR1A1 | 6-(4-(tert-butyl)phenyl)-2-methylhexa-3,5-diyn-2-ol | 2026-03-28 10:37:54 | -30.47 / 0.85 / 1 | (fail) | Y -3.8/7 | 13.83 |
| OR1A1 | ethyl cyclohexanecarboxylate | 2026-03-28 10:37:54 | -16.73 / 0.85 / 5 | -17.7 / 0.83 / 4 | Y -4.22/- | 4.85 |
| OR1A1 | geraniol | 2026-03-28 10:37:55 | -18.45 / 0.82 / 1 | -20.53 / 0.85 / 2 | Y -8/9.7 | 1.47 |
| OR1A1 | hydroxycitronellal | 2026-03-28 10:37:55 | -16.2 / 0.77 / 1 | -15.65 / 0.93 / 2 | Y -6.25/- | 2.65 |
Accuracy: 100%
Correlations: EC50 = 0.6084