Completed Docks
All
Only empirical
| Receptor | Odorant | Dock Energies | Occlusion | Poses | Agonist? | Predicted |
|---|---|---|---|---|---|---|
| OR1A1 | 3-methyl-2,4-nonanedione | -19.607 / -18.4377 | 0.886 / 0.833 | 1 / 1 | Y -6.55/10 | 10.1 |
| OR1A2 | nerolidol | (fail) / (fail) | - / - | - / - | Y -/9 | 0 |
| OR1B1 | maltol | -8.5803 / (fail) | 0.774 / - | 9 / - | Y -/6.731 | 12.17 |
| OR1C1 | linalool | -20.3787 / -21.8544 | 0.888 / 0.672 | 3 / 5 | Y -7.86/10 | 7.12 |
| OR1D2 | bourgeonal | (fail) / (fail) | - / - | - / - | Y -7.3/10 | 0 |
| OR1D5 | phenethyl alcohol | -15.2035 / -13.7365 | 0.802 / 0.83 | 8 / 2 | Y -6.1/10 | 8.98 |
| OR1E3 | acetophenone | -13.6467 / -15.3198 | 0.711 / 0.529 | 4 / 6 | Y -/10 | 5.45 |
| OR1G1 | 2-undecanone | -27.8936 / -24.0432 | 0.885 / 0.75 | 2 / 2 | Y -/10 | 17.42 |
| OR1J2 | heptanal | -18.5385 / -16.8094 | 0.849 / 0.808 | 6 / 5 | Y -/10 | 10.91 |
| OR1L3 | alpha-damascone | -24.9763 / (fail) | 0.808 / - | 1 / - | Y -4.6/9 | 11.16 |
| OR1N1 | cinnamaldehyde | -17.0262 / -14.8202 | 0.87 / 0.76 | 5 / 6 | Y -5/- | 11.75 |
| OR1N2 | ambrettolide | -35.2812 / (fail) | 0.787 / - | 2 / - | Y -5.82/- | 18.14 |
| OR2A1 | farnesol | - / - | - / - | - / - | Y -5/5.714 | 0 |
| OR2A5 | rosyfolia | -23.9999 / (fail) | 0.829 / - | 3 / - | Y -4.74/- | 11.04 |
| OR2A7 | lilial | (fail) / (fail) | - / - | - / - | Y -4.96/6.786 | 0 |
| OR2A25 | peony acetonitrile | -26.0726 / -24.9335 | 0.786 / 0.839 | 5 / 6 | Y -5.35/8 | 6.48 |
| OR2B11 | coumarin | -11.8551 / -12.4183 | 0.782 / 0.844 | 4 / 8 | Y -3.5/9.333 | 3.07 |
| OR2C1 | octanethiol | -24.1743 / -23.7563 | 0.805 / 0.838 | 10 / 3 | Y -8.36/9.5 | 5.25 |
| OR2G2 | maltyl isobutyrate | -17.8509 / -17.6804 | 0.868 / 0.799 | 6 / 6 | Y -5.8/4 | 12.04 |
| OR2H1 | methional | -24.9375 / -14.228 | 0.501 / 0.832 | 2 / 4 | Y -/7 | 0 |
| OR2H2 | tridecanal | - / - | - / 0.832 | - / 4 | Y -4.7/10 | 0 |
| OR10A5 | cinnamaldehyde | -16.8833 / (fail) | 0.796 / - | 7 / - | Y -/7.5 | 13.71 |
| OR10A6 | phenethyl acetate | -18.5236 / -19.3202 | 0.688 / 0.828 | 3 / 1 | Y -5.46/10 | 2.15 |
| OR14J1 | patchoulol | -28.3129 / (fail) | 0.797 / - | 4 / - | Y -5.66/10 | 25.14 |
Accuracy: 75%
Correlations: Top = 0.0942 EC50 = -0.0312