Completed Docks

All Only empirical
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 / 1Y -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 / 4Y -4.22/- 4.85
OR1A1 geraniol 2026-03-28 10:37:55-18.45 / 0.82 / 1-20.53 / 0.85 / 2Y -8/9.7 1.47
OR1A1 hydroxycitronellal 2026-03-28 10:37:55-16.2 / 0.77 / 1-15.65 / 0.93 / 2Y -6.25/- 2.65
OR1A2 nerolidol 2026-03-10 14:57:04(fail)(fail)Y -/9 0
OR1B1 maltol 2026-03-10 14:57:05-8.58 / 0.77 / 9(fail)Y -/6.731 12.17
OR1C1 linalool 2026-03-10 14:57:11-20.38 / 0.89 / 3-21.85 / 0.67 / 5Y -7.86/10 7.12
OR1D2 bourgeonal 2026-03-10 14:57:10(fail)(fail)Y -7.3/10 0
OR1D5 phenethyl alcohol 2026-03-10 14:57:11-15.2 / 0.8 / 8-13.74 / 0.83 / 2Y -6.1/10 8.98
OR1E3 acetophenone 2026-03-10 14:57:08-13.65 / 0.71 / 4-15.32 / 0.53 / 6Y -/10 5.45
OR1G1 2-undecanone 2026-03-10 14:57:05-27.89 / 0.89 / 2-24.04 / 0.75 / 2Y -/10 17.42
OR1J2 heptanal 2026-03-10 14:57:07-18.54 / 0.85 / 6-16.81 / 0.81 / 5Y -/10 10.91
OR1L3 alpha-damascone 2026-03-10 14:57:12-24.98 / 0.81 / 1(fail)Y -4.6/9 11.16
OR1N1 cinnamaldehyde 2026-03-10 14:57:03-17.03 / 0.87 / 5-14.82 / 0.76 / 6Y -5/- 11.75
OR1N2 ambrettolide 2026-03-10 14:57:09-35.28 / 0.79 / 2(fail)Y -5.82/- 18.14
OR2A1 farnesol 2026-03-10 14:57:21--Y -5/5.714 0
OR2A5 rosyfolia 2026-03-10 14:57:16-24 / 0.83 / 3(fail)Y -4.74/- 11.04
OR2A7 lilial 2026-03-10 14:57:20(fail)(fail)Y -4.96/6.786 0
OR2A25 peony acetonitrile 2026-03-10 14:57:20-26.07 / 0.79 / 5-24.93 / 0.84 / 6Y -5.35/8 6.48
OR2B11 cinnamaldehyde 2026-03-28 10:39:40-17 / 0.86 / 7-17.72 / 0.72 / 3Y -6/0.519 9.2
OR2B11 coumarin 2026-03-10 14:57:17-11.86 / 0.78 / 4-12.42 / 0.84 / 8Y -3.5/9.333 3.07
OR2C1 cinnamaldehyde 2026-03-28 10:39:57-15.42 / 0.88 / 8-17.05 / 0.72 / 7Y -4/1.465 5.82
OR2C1 octanethiol 2026-03-10 14:57:18-24.17 / 0.8 / 10-23.76 / 0.84 / 3Y -8.36/9.5 5.25
OR2G2 maltyl isobutyrate 2026-03-10 14:57:19-17.85 / 0.87 / 6-17.68 / 0.8 / 6Y -5.8/4 12.04
OR2H1 methional 2026-03-10 14:57:22-24.94 / 0.5 / 2-14.23 / 0.83 / 4Y -/7 0
OR2H2 tridecanal 2026-03-10 14:57:21--Y -4.7/10 0
OR2J2 cinnamaldehyde 2026-03-28 10:40:33-17.49 / 0.7 / 5-17.05 / 0.8 / 8Y -/5 4.59
OR2J2 methyl eugenol 2026-03-28 10:40:33-22.29 / 0.84 / 4-23.65 / 0.81 / 8Y -7/9.333 5.46
OR2J3 (Z)-3-hexen-1-ol 2026-03-28 10:40:34-14.68 / 0.91 / 7-14.11 / 0.72 / 7Y -5.61/10 13.9
OR2J3 cinnamaldehyde 2026-03-28 10:40:35-19.29 / 0.69 / 6-17.28 / 0.68 / 5Y -6/2 11.32
OR2L3 alpha-terpineol 2026-03-28 10:40:35-17.34 / 0.86 / 2-19.95 / 0.74 / 3Y -3.2/10 6.37
OR2L5 ethyl cyclohexanecarboxylate 2026-03-28 10:40:36-20.15 / 0.86 / 7-19.4 / 0.78 / 4Y -5.78/10 14.98
OR2M2 (R)-3-mercapto-3-methylhexan-1-ol 2026-03-28 10:41:23-30.53 / 0.74 / 3-26.79 / 0.76 / 4Y -/- 34.2
OR2M2 (S)-(-)-citronellol 2026-03-28 10:41:22-19.93 / 0.8 / 2-21.95 / 0.88 / 7Y -5/- 1.79
OR2M2 3-mercapto-1-hexanol 2026-03-28 10:41:24-38.87 / 0.68 / 9-24.1 / 0.78 / 9Y -4.96/- 72.59
OR2M2 decatone 2026-03-28 10:41:24-20.83 / 0.76 / 1-23.37 / 0.72 / 5Y -3.88/- 1.1
OR2M2 gardamide 2026-03-28 10:41:24-20.89 / 0.77 / 1-23.16 / 0.78 / 5Y -4.23/- 2.01
OR2M2 geranyl acetate 2026-03-28 10:41:24(fail)-25.81 / 0.78 / 4Y -0.57/1.551 0
OR2M2 grapefruit mercaptan 2026-03-28 10:41:22(fail)-31.65 / 0.73 / 6Y -5.88/10 0
OR2M2 nootkatone 2026-03-28 10:41:24-25.84 / 0.88 / 1-24.53 / 0.89 / 4Y -4.7/8 8.29
OR2M2 paradisamide 2026-03-28 10:41:22-25.02 / 0.9 / 3-26.48 / 0.83 / 7Y -4.48/- 6.48
OR2M3 2-methylisoborneol 2026-03-28 10:41:38-15.78 / 0.85 / 3-16.35 / 0.78 / 1Y -4.4/1.118 7.36
OR2M3 3-mercapto-2-methylbutan-1-ol 2026-03-28 10:41:38-18.16 / 0.81 / 2-20.62 / 0.79 / 5Y -3.97/1 8.79
OR2M3 3-mercapto-2-methylhexan-1-ol 2026-03-28 10:41:37-18.43 / 0.9 / 2-28.13 / 0.83 / 7Y -2.5/1.5 1.22
OR2M3 3-mercapto-2-methylpentan-1-ol 2026-03-28 10:41:37-13.84 / 0.78 / 1-23.57 / 0.8 / 3Y -7.54/10 0.33
OR2M7 (S)-(-)-citronellol 2026-03-28 10:41:45-23.21 / 0.85 / 6-21.85 / 0.87 / 6Y -3.85/9 10.75
OR2M7 geraniol 2026-03-28 10:41:45-22.98 / 0.83 / 6-20.42 / 0.85 / 6Y -3.2/8 12.43
OR2M7 methanethiol 2026-03-28 10:41:45-12.77 / 0.63 / 9-12.39 / 0.41 / 9Y -/10 13.48
OR2T1 butyric acid 2026-03-28 10:41:56-0.09 / 0.86 / 5-7 / 0.73 / 10Y -3.81/0.131 1.38
OR2T1 diallyl disulfide 2026-03-28 10:41:57-25.52 / 0.8 / 1(fail)Y -4.72/5 10.89
OR2T1 dipropyl disulfide 2026-03-28 10:41:57(fail)(fail)Y -4.47/- 0
OR2T1 hydrogen sulfide 2026-03-28 10:41:56-16.44 / 0.68 / 8-5.07 / 0.69 / 10Y -/6.957 40.79
OR2T1 methanethiol 2026-03-28 10:41:56-17.14 / 0.76 / 3-10.04 / 0.53 / 10Y -/2.609 29.99
OR2T8 pentanethiol 2026-03-28 10:42:17-23.36 / 0.7 / 9-17.12 / 0.63 / 1Y -/10 21.76
OR2T10 alpha-damascone 2026-03-28 10:42:23-26.49 / 0.82 / 1-23.76 / 0.89 / 3Y -4.7/6.7 10.32
OR2T10 cinnamaldehyde 2026-03-28 10:42:23-18.35 / 0.83 / 3-16.32 / 0.79 / 7Y -4/- 11.97
OR2T10 maltyl isobutyrate 2026-03-28 10:42:24-10.64 / 0.84 / 1-11.96 / 0.8 / 7Y -5.6/9.5 6.11
OR2T10 terpinyl acetate 2026-03-28 10:42:24-18.39 / 0.86 / 1-20.15 / 0.89 / 1Y -4.8/7.7 2.16
OR2T10 vanillin 2026-03-28 10:42:24-12.87 / 0.82 / 10-10.01 / 0.81 / 10Y -5.4/4.2 16.88
OR2T11 2-acetylthiazole 2026-03-28 10:42:44-14.33 / 0.76 / 3-15.39 / 0.8 / 2Y -/3.5 3.79
OR2T11 2-butanethiol 2026-03-28 10:42:44-20.02 / 0.79 / 3-16.65 / 0.75 / 8Y -5.1/5 18.5
OR2T11 2-methyl-3-tetrahydrofuranthiol 2026-03-28 10:42:43(fail)-14.65 / 0.79 / 1Y -/1.9 0
OR2T11 3-mercapto-3-methylbutyl formate 2026-03-28 10:42:40(fail)(fail)Y -/4 0
OR2T11 3-methyl-2-butanethiol 2026-03-28 10:42:42-19.53 / 0.81 / 5-16.55 / 0.85 / 6Y -4.6/1.7 10.74
OR2T11 3-methyl-3-mercapto butyl methyl ether 2026-03-28 10:42:44(fail)(fail)Y -/2.7 0
OR2T11 S-methyl thiobutanoate 2026-03-28 10:42:43-14.5 / 0.84 / 1(fail)Y -/2.8 3.18
OR2T11 allyl mercaptan 2026-03-28 10:42:41-15.56 / 0.87 / 3-13.19 / 0.72 / 9Y -5.8/2 12.85
OR2T11 cyclopentanethiol 2026-03-28 10:42:44-12.66 / 0.7 / 4-14.4 / 0.79 / 4Y -/6.9 1.32
OR2T11 di-tert-butyl disulfide 2026-03-28 10:42:38-28.83 / 0.9 / 1(fail)Y -5.09/- 13.17
OR2T11 diallyl disulfide 2026-03-28 10:42:38-24.23 / 0.94 / 3(fail)Y -5.49/7.5 7.47
OR2T11 diallyl sulfide 2026-03-28 10:42:37-21.17 / 0.81 / 4(fail)Y -/- 8.87
OR2T11 dimethyl disulfide 2026-03-28 10:42:39-16.51 / 0.75 / 9-17.06 / 0.8 / 8Y -/3.1 2.21
OR2T11 dipropyl disulfide 2026-03-28 10:42:43(fail)(fail)Y -5.02/5.9 0
OR2T11 ethanethiol 2026-03-28 10:42:40-13.02 / 0.82 / 4-12.65 / 0.67 / 10Y -4.7/5 9.26
OR2T11 hydrogen sulfide 2026-03-28 10:42:37-3.89 / 0.7 / 1-7.08 / 0.41 / 10Y -/10 2.83
OR2T11 isobutyl mercaptan 2026-03-28 10:42:44-13.62 / 0.87 / 2-16.87 / 0.8 / 9Y -5/4 0.7
OR2T11 isopropanethiol 2026-03-28 10:42:39-17.36 / 0.8 / 6-14.51 / 0.71 / 10Y -5.1/7.5 16.94
OR2T11 methanethiol 2026-03-28 10:42:40-11.09 / 0.68 / 5-9.87 / 0.68 / 10Y -/3.913 6.81
OR2T11 methyl 3-mercaptopropionate 2026-03-28 10:42:40-14.46 / 0.89 / 5-14.86 / 0.77 / 1Y -/2.2 4.78
OR2T11 methyl furfuryl disulfide 2026-03-28 10:42:42-19.16 / 0.77 / 3(fail)Y -4.42/- 5.89
OR2T11 propanethiol 2026-03-28 10:42:44-12.47 / 0.79 / 3-14.31 / 0.8 / 10Y -5.2/2.8 1.18
OR2T11 tert-butyl mercaptan 2026-03-28 10:42:41-16.22 / 0.87 / 7-15.12 / 0.78 / 7Y -4.9/10 10.09
OR2T29 diacetyl 2026-03-28 10:43:06-8.75 / 0.81 / 5-5.76 / 0.74 / 6Y -1.26/0.135 13.45
OR2V1 (R)-3-mercapto-3-methylhexan-1-ol 2026-03-28 10:43:17-15.04 / 0.75 / 1-14 / 0.82 / 1Y -/- 3.46
OR2W3 citralva 2026-03-28 10:43:28-23.13 / 0.84 / 1-23.71 / 0.83 / 10Y -/10 4.84
OR2W3 eugenol 2026-03-28 10:43:28-13.74 / 0.88 / 2-15.21 / 0.86 / 5Y -/7.209 3.92
OR2AE1 ethyl 3,5,5-trimethyl hexanoate 2026-03-28 10:43:41-22.72 / 0.77 / 7-21.87 / 0.85 / 5Y -/10 3.92
OR2AG1 bean pyrazine 2026-03-28 10:43:42-18.52 / 0.78 / 1-17.29 / 0.81 / 5Y -6.7/7.863 5.39
OR2AG2 benzyl acetone 2026-03-28 10:43:42-20.93 / 0.82 / 8-19 / 0.82 / 3Y -6.24/- 12.31
OR2AP1 delta-dodecalactone 2026-03-28 10:43:43-25.52 / 0.95 / 6-14.82 / 0.77 / 2Y -/- 21.94
OR3A1 cinnamaldehyde 2026-03-28 10:44:09-16.03 / 0.86 / 5-17.01 / 0.65 / 10Y -5/- 7.81
OR3A1 helional 2026-03-28 10:44:09-15.84 / 0.85 / 5-15.68 / 0.72 / 10Y -5.01/10 10.44
OR3A4 2-methylisoborneol 2026-03-28 10:44:07-15.19 / 0.76 / 3-17.61 / 0.68 / 9Y -/10 4.9
OR4D2 eugenyl acetate 2026-03-28 10:44:46-17.17 / 0.91 / 2-18.82 / 0.89 / 2Y -4/- 3.96
OR4D6 beta-ionone 2026-03-28 10:44:47-24.17 / 0.91 / 2(fail)Y -3.4/9.474 13.53
OR4D9 beta-ionone 2026-03-28 10:44:48-23.86 / 0.89 / 2(fail)Y -3.4/8.947 12
OR4D11 2-ethyl-1-hexanol 2026-03-28 10:44:45-17.7 / 0.77 / 6-16.18 / 0.84 / 4Y -/10 7.83
OR4F6 eugenol 2026-03-28 10:44:57-15.45 / 0.89 / 1-19.06 / 0.77 / 3Y -3.97/0.578 6.44
OR4F17 eugenol 2026-03-28 10:44:56-17.19 / 0.84 / 4-15.8 / 0.92 / 2Y -3.48/0.392 9.49
OR4K2 eugenol 2026-03-28 10:44:59-13.43 / 0.82 / 1(fail)Y -5.71/0.815 8.34
OR4K3 eugenol 2026-03-28 10:45:00-14.1 / 0.83 / 1-12.98 / 0.89 / 1Y -3.3/0.207 4.99
OR4K5 eugenol 2026-03-28 10:45:00(fail)(fail)Y -4.08/0.481 0
OR4K13 diallyl disulfide 2026-03-28 10:44:58-24.11 / 0.87 / 2-22.85 / 0.75 / 5Y -/3 7.97
OR4M1 pyrazine 2026-03-28 10:45:12-12.22 / 0.81 / 7-11.13 / 0.71 / 5Y -/10 6.91
OR4N5 decanal 2026-03-28 10:45:13-25.7 / 0.88 / 1-22.25 / 0.76 / 3Y -2.84/0.715 16.95
OR4Q3 diallyl disulfide 2026-03-28 10:45:14-24.2 / 0.76 / 4-23.44 / 0.84 / 5Y -/10 2.81
OR4Q3 eugenol 2026-03-28 10:45:14-17.11 / 0.79 / 3-14.17 / 0.92 / 3Y -6/- 9.24
OR5A1 ambrinol 2026-03-28 10:45:33-16.43 / 0.88 / 1-22.05 / 0.89 / 5Y -/10 0.16
OR5B12 dihydrojasmone 2026-03-28 10:45:34-22.68 / 0.85 / 3-21.31 / 0.87 / 6Y -5.84/- 11.02
OR5D16 eugenol 2026-03-28 10:46:02-15.99 / 0.8 / 3-17.2 / 0.78 / 5Y -2.74/0.18 5.76
OR5K1 eugenol 2026-03-28 10:46:03(fail)-14.85 / 0.73 / 3Y -/0.267 0
OR5K1 hazelnut pyrazine 2026-03-28 10:46:03-23.85 / 0.91 / 1-22.22 / 0.88 / 5Y -6.9/10 16.67
OR5M3 ethyl maltol 2026-03-28 10:46:38-8.52 / 0.73 / 5-6.98 / 0.82 / 5Y -4.95/- 11.58
OR5M3 homofuraneol 2026-03-28 10:46:40-8.11 / 0.77 / 4-8.94 / 0.8 / 3Y -5.31/1.5 5.91
OR5M3 sotolone 2026-03-28 10:46:41-6.29 / 0.81 / 9-7.41 / 0.79 / 8Y -3.34/- 7.57
OR5P3 coumarin 2026-03-28 10:46:51-9.94 / 0.8 / 3-11.58 / 0.81 / 8Y -5.44/9.7 3.85
OR5V1 2,4,6-tribromoanisole 2026-03-28 10:46:52-17.33 / 0.81 / 1-18.33 / 0.82 / 1Y -8.32/- 7.56
OR5AC2 fructone 2026-03-28 10:46:53-12.89 / 0.88 / 5-10.27 / 0.77 / 4Y -5.9/7 14.11
OR6A2 octanal 2026-03-28 10:46:59-30.99 / 0.86 / 2-29.65 / 0.75 / 1Y -5/- 35.09
OR6C70 (E)-anethole 2026-03-28 10:47:02-22.03 / 0.69 / 4-21.01 / 0.69 / 5Y -/10 6.12
OR8B8 (1R,2S,5R)-(-)-menthol 2026-03-28 10:47:45-21.35 / 0.83 / 5-19.42 / 0.82 / 3Y? -/- 15.14
OR8B8 (1S,2R,5S)-(+)-menthol 2026-03-28 10:47:42-19.15 / 0.84 / 4-17.86 / 0.87 / 4Y? -/- 8.34
OR8B12 (1R,2S,5R)-(-)-menthol 2026-03-28 10:47:24-22.51 / 0.89 / 8-18.58 / 0.86 / 1Y? -/- 22.01
OR8B12 (1S,2R,5S)-(+)-menthol 2026-03-28 10:47:19-21.88 / 0.82 / 10-20.14 / 0.86 / 10Y? -/- 12.97
OR9G1 cinnamaldehyde 2026-03-28 10:47:49-17.93 / 0.79 / 5-Y -4.75/0.368 14.97
OR10A5 cinnamaldehyde 2026-03-10 14:57:14-16.88 / 0.8 / 7(fail)Y -/7.5 13.71
OR10A6 phenethyl acetate 2026-03-10 14:57:15-18.52 / 0.69 / 3-19.32 / 0.83 / 1Y -5.46/10 2.15
OR10A6 phenethyl alcohol 2026-03-28 10:48:35-14.06 / 0.83 / 6-12.91 / 0.72 / 4Y -4.94/- 9.51
OR10A6 phenylpropyl alcohol 2026-03-28 10:48:35-17.07 / 0.79 / 5-18.4 / 0.78 / 8Y -5.31/- 6.66
OR10G3 eugenol 2026-03-28 10:48:42(fail)(fail)Y -/0.1 0
OR10G7 eugenol 2026-03-28 10:48:46-15.78 / 0.86 / 1-17.22 / 0.63 / 4Y -9/5.654 11.07
OR10H5 eugenol 2026-03-28 10:48:56-13.15 / 0.82 / 1-17.26 / 0.71 / 8Y -5/0.252 2.65
OR11G2 eugenol 2026-03-28 10:48:57-14.17 / 0.82 / 1(fail)Y -3.63/0.421 10
OR13D1 eugenol 2026-03-28 10:48:58-14.87 / 0.78 / 2-13.11 / 0.84 / 1Y -3.29/0.276 5.78
OR14A2 eugenol 2026-03-28 10:49:01-17.66 / 0.72 / 5-14.72 / 0.79 / 3Y -1.88/0.327 9.29
OR14J1 patchoulol 2026-03-10 14:57:13-28.31 / 0.8 / 4(fail)Y -5.66/10 25.14
OR51E2 beta-ionone 2026-03-29 12:14:46-25.01 / 0.79 / 3-22.44 / 0.8 / 2Y -7.5/5.938 10.88
OR51E2 propionic acid 2026-03-29 12:14:47-7.43 / 0.73 / 9-11.4 / 0.56 / 9Y -3.96/10 13.23
OR56A3 eugenol 2026-03-28 10:49:06-16.93 / 0.74 / 3-17.93 / 0.77 / 7Y -3.97/0.335 5.19

Accuracy: 91.85%
Correlations: Top = 0.0867 EC50 = -0.0239

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