Y-1 #10 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 -7.19 -6.88 -7.21 30.41% CHEMBL3656920 Inactive 82.06%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -6.92 -7.16 -6.78 22.44% CHEMBL424128 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -7.24 -6.35 -6.00 22.44% CHEMBL424128 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -6.79 -7.30 -7.02 13.87% CHEMBL29410 Inactive 55.12%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -6.55 -6.84 -7.15 15.62% CHEMBL184994 Inactive 82.65%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -7.20 -6.85 N/A 35.48% CHEMBL1909065 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -6.96 -6.90 -6.91 37.17% CHEMBL1629810 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -6.89 -7.08 N/A 37.17% CHEMBL1629810 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -7.12 -7.36 -6.80 27.13% CHEMBL2152922 Inactive 69.46%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -7.26 -6.02 -6.75 19.07% CHEMBL538029 Inactive 68.24%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -7.51 -6.49 -6.89 35.48% CHEMBL1909065 Inactive 55.62%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -6.86 -6.92 -7.41 21.82% CHEMBL2401935 Inactive 67.72%
AA1R_HUMAN adenosine A1 receptor -6.95 -6.52 -6.46 26.92% CHEMBL1990267 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -6.08 -6.03 -6.89 29.61% CHEMBL2042062 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -6.59 -7.57 -6.66 26.92% CHEMBL1990267 Inactive 54.50%
AA3R_HUMAN adenosine A3 receptor -6.71 -6.09 -6.62 32.20% CHEMBL76273 Inactive 56.84%
ACM1_HUMAN cholinergic receptor muscarinic 1 -7.85 -6.28 N/A 25.00% CHEMBL435353 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -6.80 -7.02 -7.13 25.00% CHEMBL435353 Inactive 78.18%
ACM3_HUMAN cholinergic receptor muscarinic 3 -7.01 -7.68 -7.52 25.00% CHEMBL435353 Inactive 71.00%
ACM4_HUMAN cholinergic receptor muscarinic 4 -7.65 -6.47 N/A 24.61% CHEMBL1223862 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -7.34 -7.20 -7.84 24.61% CHEMBL1223862 Active 60.07%
ACTHR_HUMAN melanocortin 2 receptor -7.43 -7.19 -6.63 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -6.84 -6.69 -6.69 35.48% CHEMBL1909065 Inactive 50.87%
ADA2A_HUMAN adrenoceptor alpha 2A -5.27 -7.80 -4.87 35.48% CHEMBL1909065 Active 52.20%
ADA2B_HUMAN adrenoceptor alpha 2B -7.63 -7.86 -6.63 35.48% CHEMBL1909065 Active 61.77%
ADA2C_HUMAN adrenoceptor alpha 2C -2.53 -2.57 -2.57 35.48% CHEMBL1909065 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -7.11 -6.84 -7.43 25.15% CHEMBL2348211 Inactive 54.69%
ADRB2_HUMAN adrenoceptor beta 2 -6.67 -7.35 -7.01 27.86% CHEMBL513104 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -7.29 -7.69 -7.22 23.04% CHEMBL306233 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -6.26 -6.22 -5.68 18.18% CHEMBL215160 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -7.21 -7.79 -7.29 18.62% CHEMBL208859 Inactive 93.10%
CALCR_HUMAN calcitonin receptor -6.04 -6.06 -5.91 14.18% CHEMBL2369886 Inactive 82.69%
CCKAR_HUMAN cholecystokinin A receptor -6.39 -6.48 -7.07 16.14% CHEMBL1774037 Inactive 93.66%
CCR1_HUMAN C-C motif chemokine receptor 1 -6.66 -6.43 -5.97 22.92% CHEMBL3099955 Inactive 98.90%
CCR2_HUMAN C-C motif chemokine receptor 2 -6.00 -5.87 -5.61 23.44% CHEMBL3263272 Inactive 97.50%
CCR4_HUMAN C-C motif chemokine receptor 4 -7.14 -6.66 -7.06 27.87% CHEMBL605581 Inactive 79.87%
CCR5_HUMAN C-C motif chemokine receptor 5 -5.90 -6.15 -6.39 21.96% CHEMBL1078712 Inactive 99.65%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -7.03 -7.03 -7.26 26.18% CHEMBL1213920 Inactive 94.84%
CNR1_HUMAN cannabinoid receptor 1 -6.26 -7.18 -6.79 30.60% CHEMBL1923765 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -7.00 -6.97 N/A 33.85% CHEMBL3410729 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -6.79 N/A N/A 15.81% CHEMBL490688 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -6.77 -6.33 -6.11 19.55% CHEMBL3645131 Inactive 69.90%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -6.68 -6.39 -6.22 22.28% CHEMBL3956593 Inactive 99.25%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.04 -6.29 -6.31 21.54% CHEMBL1221944 N/A N/A
DRD1_HUMAN dopamine receptor D1 -7.38 -6.78 -7.32 20.55% CHEMBL3800636 Inactive 86.87%
DRD2_HUMAN dopamine receptor D2 -7.00 N/A N/A 35.48% CHEMBL1909065 N/A N/A
DRD3_HUMAN dopamine receptor D3 -6.76 N/A N/A 35.48% CHEMBL1909065 N/A N/A
DRD4_HUMAN dopamine receptor D4 -7.46 -7.47 N/A 27.08% CHEMBL4073330 N/A N/A
DRD5_HUMAN dopamine receptor D5 -6.94 -7.39 -7.10 18.40% CHEMBL1258223 Inactive 91.61%
EDNRA_HUMAN endothelin receptor type A -6.30 -7.01 -6.74 25.43% CHEMBL431651 Inactive 75.32%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -4.53 -5.35 -5.18 9.47% CHEMBL2391908 Inactive 91.86%
GASR_HUMAN cholecystokinin B receptor -7.08 -6.73 -6.36 21.56% CHEMBL452991 Inactive 92.59%
GRM1_HUMAN glutamate metabotropic receptor 1 -7.56 -7.33 -7.82 19.13% CHEMBL177519 Inactive 78.10%
GRM2_HUMAN glutamate metabotropic receptor 2 -5.47 -6.14 -5.40 25.14% CHEMBL485176 Inactive 76.04%
GRM3_HUMAN glutamate metabotropic receptor 3 -7.46 -8.06 -7.58 23.18% CHEMBL3955458 Inactive 73.65%
GRM4_HUMAN glutamate metabotropic receptor 4 -3.79 -3.30 -3.44 21.85% CHEMBL4105462 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -7.41 -7.46 -7.29 20.40% CHEMBL426467 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -7.12 -6.85 -7.15 21.17% CHEMBL275079 Inactive 97.55%
GRM7_HUMAN glutamate metabotropic receptor 7 -6.87 -5.65 -6.15 18.06% CHEMBL3560393 Inactive 99.94%
GRM8_HUMAN glutamate metabotropic receptor 8 -5.16 -4.29 -3.28 18.06% CHEMBL3560393 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -7.13 N/A N/A 22.44% CHEMBL2208424 N/A N/A
HRH2_HUMAN histamine receptor H2 -7.37 -6.58 -6.92 20.42% CHEMBL107293 Active 65.91%
HRH3_HUMAN histamine receptor H3 -6.76 -7.25 -7.36 26.22% CHEMBL1935421 Inactive 68.85%
HRH4_HUMAN histamine receptor H4 -7.40 -7.15 -7.17 19.37% CHEMBL1934062 Inactive 50.90%
MC3R_HUMAN melanocortin 3 receptor -6.07 -6.03 -6.36 16.83% CHEMBL192450 Inactive 83.65%
MC4R_HUMAN melanocortin 4 receptor -5.67 -5.49 -5.73 19.64% CHEMBL1380969 Inactive 92.47%
MC5R_HUMAN melanocortin 5 receptor -5.99 -6.52 -5.69 17.06% CHEMBL3938186 Inactive 75.21%
MSHR_HUMAN melanocortin 1 receptor -6.12 -6.26 -6.78 17.04% CHEMBL1682208 Inactive 71.45%
NK1R_HUMAN tachykinin receptor 1 -6.62 -6.86 -6.70 28.42% CHEMBL420221 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -6.28 -6.17 -6.26 25.93% CHEMBL223994 Inactive 99.32%
NPBW1_HUMAN neuropeptides B and W receptor 1 -6.51 -6.25 -6.90 20.57% CHEMBL2314298 Inactive 95.57%
NPFF1_HUMAN neuropeptide FF receptor 1 -6.15 -6.51 -6.14 13.68% CHEMBL3361420 Inactive 71.25%
NPSR1_HUMAN neuropeptide S receptor 1 -6.24 -7.08 -7.47 17.54% CHEMBL3085788 Inactive 83.74%
NPY1R_HUMAN neuropeptide Y receptor Y1 -7.05 -7.77 -6.89 29.51% CHEMBL3559801 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -6.35 -6.39 -6.25 29.51% CHEMBL3559801 Inactive 70.92%
NPY4R_HUMAN neuropeptide Y receptor Y4 -7.13 -7.09 -6.79 29.51% CHEMBL3559801 Active 89.10%
NPY5R_HUMAN neuropeptide Y receptor Y5 -6.71 -6.68 -6.78 29.51% CHEMBL3559801 Inactive 82.09%
OPRD_HUMAN opioid receptor delta 1 -5.88 -5.25 -5.49 29.74% CHEMBL3597150 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -6.58 -6.65 -6.75 33.08% CHEMBL560302 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -6.46 -6.27 -6.84 30.00% CHEMBL4113162 Inactive 93.08%
OPRX_HUMAN opioid related nociceptin receptor 1 -6.37 -6.37 -5.96 25.46% CHEMBL3581762 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -6.18 -5.94 -6.23 31.16% CHEMBL514432 Inactive 77.44%
TAAR1_HUMAN trace amine associated receptor 1 -6.96 -7.22 -6.99 24.48% CHEMBL3652684 Active 68.82%
TSHR_HUMAN thyroid stimulating hormone receptor -6.89 -6.86 -6.41 17.50% CHEMBL1370580 Inactive 93.04%
V1AR_HUMAN arginine vasopressin receptor 1A -6.21 -6.42 -7.64 20.42% CHEMBL1085301 Inactive 98.86%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -6.53 -6.06 -6.39 12.65% CHEMBL219499 N/A N/A