THC #18 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

Protein Symbol Approved Name Docking Scores Similarity
Score
Best Match Prediction
Model 1 Model 2 Model 3 Result Confidence Level
5HT1A_HUMAN 5-hydroxytryptamine receptor 1A -8.16 -7.81 -8.69 51.18% CHEMBL29951 Active 60.04%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -9.19 -9.16 -8.17 51.18% CHEMBL29951 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -9.18 -8.69 -8.20 51.18% CHEMBL29951 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -8.65 -8.38 -8.25 24.59% CHEMBL22744 Inactive 73.52%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -8.99 -9.21 -9.07 25.58% CHEMBL3616488 Inactive 73.43%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -8.60 -9.36 N/A 49.54% CHEMBL268890 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -9.25 -9.09 -9.58 45.45% CHEMBL2022186 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.80 -8.49 N/A 48.18% CHEMBL2022189 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -9.82 -9.35 -8.85 35.56% CHEMBL571799 Inactive 57.63%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -8.60 -7.30 -8.01 40.48% CHEMBL278751 Inactive 66.83%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -8.33 -7.82 -9.05 43.83% CHEMBL429023 Active 66.96%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -9.01 -8.73 -8.45 42.07% CHEMBL2158029 Active 58.86%
AA1R_HUMAN adenosine A1 receptor -8.91 -8.76 -8.50 27.66% CHEMBL1544 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -8.35 -8.66 -9.07 27.21% CHEMBL355390 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -8.28 -8.39 -9.04 27.13% CHEMBL3317575 Inactive 56.72%
AA3R_HUMAN adenosine A3 receptor -9.35 -6.37 -9.16 47.62% CHEMBL513389 Active 57.66%
ACM1_HUMAN cholinergic receptor muscarinic 1 -8.90 -2.48 N/A 44.09% CHEMBL343236 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -9.51 -8.72 -10.52 44.09% CHEMBL343236 Active 56.80%
ACM3_HUMAN cholinergic receptor muscarinic 3 -8.44 -9.97 -9.23 41.60% CHEMBL3085495 Active 50.42%
ACM4_HUMAN cholinergic receptor muscarinic 4 -9.01 -8.51 N/A 41.60% CHEMBL3085495 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -10.18 -10.30 -8.43 35.66% CHEMBL490 Active 74.21%
ACTHR_HUMAN melanocortin 2 receptor -10.67 -10.30 -9.77 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -9.15 -8.07 -8.64 45.97% CHEMBL101739 Active 58.88%
ADA2A_HUMAN adrenoceptor alpha 2A -7.69 -8.78 -4.39 47.62% CHEMBL513389 Inactive 50.24%
ADA2B_HUMAN adrenoceptor alpha 2B -8.68 -9.24 -8.67 42.54% CHEMBL179648 Active 69.59%
ADA2C_HUMAN adrenoceptor alpha 2C -1.80 -1.14 -0.22 42.54% CHEMBL179648 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -8.95 -9.08 -9.05 45.24% CHEMBL26917 Active 75.48%
ADRB2_HUMAN adrenoceptor beta 2 -8.00 -9.88 -9.58 47.62% CHEMBL513389 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -9.06 -8.51 -9.06 43.07% CHEMBL1201237 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -8.65 -8.44 -8.55 35.48% CHEMBL154057 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -9.18 -8.94 -8.85 21.68% CHEMBL553530 Inactive 88.31%
CALCR_HUMAN calcitonin receptor -7.85 -8.62 -8.12 18.18% CHEMBL2369897 Inactive 98.85%
CCKAR_HUMAN cholecystokinin A receptor -9.25 -8.36 -8.68 25.00% CHEMBL250974 Inactive 80.28%
CCR1_HUMAN C-C motif chemokine receptor 1 -7.95 -8.20 -9.04 35.29% CHEMBL2391795 Inactive 82.83%
CCR2_HUMAN C-C motif chemokine receptor 2 -8.04 -8.50 -7.96 47.01% CHEMBL3754764 Inactive 52.26%
CCR4_HUMAN C-C motif chemokine receptor 4 -7.81 -7.30 -7.88 32.21% CHEMBL1907216 Inactive 62.01%
CCR5_HUMAN C-C motif chemokine receptor 5 -8.22 -8.55 -8.27 32.96% CHEMBL2281967 Inactive 90.81%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -8.51 -9.10 -10.00 40.79% CHEMBL1213917 Inactive 75.86%
CNR1_HUMAN cannabinoid receptor 1 -7.64 -8.62 -9.60 100.00% CHEMBL600602 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -10.09 -9.84 N/A 100.00% CHEMBL111148 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -7.81 N/A N/A 25.00% CHEMBL220182 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -8.03 -7.34 -7.18 40.14% CHEMBL3645131 Inactive 54.90%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -8.70 -8.90 -9.19 37.65% CHEMBL3697086 Inactive 82.72%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.56 -7.88 -7.20 31.34% CHEMBL126657 N/A N/A
DRD1_HUMAN dopamine receptor D1 -8.72 -8.79 -9.02 46.53% CHEMBL3966718 Active 70.56%
DRD2_HUMAN dopamine receptor D2 -8.11 N/A N/A 48.44% CHEMBL64553 N/A N/A
DRD3_HUMAN dopamine receptor D3 -8.65 N/A N/A 100.00% CHEMBL465 N/A N/A
DRD4_HUMAN dopamine receptor D4 -8.31 -8.39 N/A 48.44% CHEMBL64553 N/A N/A
DRD5_HUMAN dopamine receptor D5 -9.58 -8.81 -8.41 42.38% CHEMBL217299 Active 79.38%
EDNRA_HUMAN endothelin receptor type A -7.56 -7.68 -8.06 43.15% CHEMBL431651 Inactive 56.58%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -3.01 -2.53 4.66 21.95% CHEMBL2391908 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -8.10 -7.85 -6.86 39.67% CHEMBL452991 Inactive 73.96%
GRM1_HUMAN glutamate metabotropic receptor 1 -9.61 -9.84 -9.14 39.17% CHEMBL254372 Active 59.68%
GRM2_HUMAN glutamate metabotropic receptor 2 -5.22 -4.25 -4.56 45.04% CHEMBL186584 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 -5.33 -6.71 -5.28 39.84% CHEMBL341457 Inactive 53.02%
GRM4_HUMAN glutamate metabotropic receptor 4 -0.68 -0.93 -0.72 30.92% CHEMBL2063423 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -9.35 -5.75 -5.53 44.35% CHEMBL1682820 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -8.89 -9.09 -8.77 15.62% CHEMBL2381641 Inactive 97.95%
GRM7_HUMAN glutamate metabotropic receptor 7 -3.01 -1.51 -2.80 36.76% CHEMBL432038 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 0.65 0.75 2.39 36.76% CHEMBL432038 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -4.63 N/A N/A 41.60% CHEMBL1101 N/A N/A
HRH2_HUMAN histamine receptor H2 -9.14 -8.77 -8.68 38.57% CHEMBL490632 Active 98.54%
HRH3_HUMAN histamine receptor H3 -7.80 -9.27 -9.03 52.07% CHEMBL2013048 Active 69.42%
HRH4_HUMAN histamine receptor H4 -9.19 -9.12 -9.44 41.86% CHEMBL1934062 Active 55.35%
MC3R_HUMAN melanocortin 3 receptor -9.09 -8.09 -7.60 25.67% CHEMBL192450 Inactive 69.87%
MC4R_HUMAN melanocortin 4 receptor -7.46 -7.47 -7.63 36.17% CHEMBL578944 Inactive 83.33%
MC5R_HUMAN melanocortin 5 receptor -6.42 -7.80 -5.42 26.06% CHEMBL3913861 Inactive 87.13%
MSHR_HUMAN melanocortin 1 receptor -8.65 -8.61 -8.40 28.29% CHEMBL442537 Inactive 77.20%
NK1R_HUMAN tachykinin receptor 1 -8.17 -8.51 -7.78 40.91% CHEMBL2112368 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -8.54 -8.17 -8.22 33.08% CHEMBL221753 Inactive 95.98%
NPBW1_HUMAN neuropeptides B and W receptor 1 -7.82 -7.13 -7.76 25.89% CHEMBL2001553 Inactive 92.34%
NPFF1_HUMAN neuropeptide FF receptor 1 -8.22 -8.04 -7.78 23.43% CHEMBL2208334 Inactive 72.01%
NPSR1_HUMAN neuropeptide S receptor 1 -8.99 -9.76 -8.54 30.73% CHEMBL1801359 Inactive 58.33%
NPY1R_HUMAN neuropeptide Y receptor Y1 -9.24 -8.84 -8.78 40.19% CHEMBL3559801 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -8.26 -8.11 -7.95 40.19% CHEMBL3559801 Inactive 94.45%
NPY4R_HUMAN neuropeptide Y receptor Y4 -8.54 -8.73 -8.14 40.19% CHEMBL3559801 Inactive 83.66%
NPY5R_HUMAN neuropeptide Y receptor Y5 -7.96 -7.85 -8.01 61.54% CHEMBL469257 Active 93.46%
OPRD_HUMAN opioid receptor delta 1 -8.84 -7.10 -7.43 49.11% CHEMBL410907 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -9.48 -8.81 -8.28 49.11% CHEMBL410907 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -9.41 -6.94 -8.54 49.11% CHEMBL410907 Inactive 61.36%
OPRX_HUMAN opioid related nociceptin receptor 1 -8.21 -8.33 -9.02 44.27% CHEMBL3262362 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -8.31 -9.23 -8.49 43.80% CHEMBL297624 Active 59.37%
TAAR1_HUMAN trace amine associated receptor 1 -9.40 -9.37 -9.65 38.12% CHEMBL1732597 Inactive 67.15%
TSHR_HUMAN thyroid stimulating hormone receptor -10.18 -10.03 -10.32 23.35% CHEMBL3897841 Inactive 81.87%
V1AR_HUMAN arginine vasopressin receptor 1A -8.45 -7.71 -9.06 33.72% CHEMBL430676 Inactive 89.28%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -8.74 -8.97 -8.47 18.06% CHEMBL483749 N/A N/A