a #39 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 -8.72 -8.56 -8.12 31.17% CHEMBL1255002 Inactive 67.15%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -10.02 -9.94 -10.34 25.30% CHEMBL3139682 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -10.12 -9.48 -9.67 26.47% CHEMBL2260921 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -9.52 -9.23 -8.71 25.30% CHEMBL3139682 Inactive 60.92%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -9.65 -10.16 -9.73 25.30% CHEMBL3139682 Inactive 71.54%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -10.28 -10.83 N/A 35.48% CHEMBL420 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -10.13 -10.38 -10.83 37.50% CHEMBL493128 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -10.18 -10.05 N/A 40.24% CHEMBL1092167 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -11.70 -11.70 -9.52 25.30% CHEMBL3139682 Inactive 77.62%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -8.85 -7.70 -9.08 27.03% CHEMBL189262 Inactive 72.49%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -9.76 -9.39 -10.52 34.55% CHEMBL1670 Active 78.94%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -8.79 -8.78 -8.62 32.89% CHEMBL3961059 Inactive 62.41%
AA1R_HUMAN adenosine A1 receptor -9.27 -9.46 -8.26 32.95% CHEMBL3982084 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -9.92 -9.84 -10.29 34.85% CHEMBL496 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -8.81 -9.34 -8.79 26.61% CHEMBL2024112 Active 54.85%
AA3R_HUMAN adenosine A3 receptor -8.75 -4.78 -5.45 34.85% CHEMBL496 Active 61.25%
ACM1_HUMAN cholinergic receptor muscarinic 1 -7.13 5.40 N/A 37.50% CHEMBL1084850 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -9.74 -8.98 -7.80 28.38% CHEMBL1290183 Inactive 59.26%
ACM3_HUMAN cholinergic receptor muscarinic 3 -8.98 -10.45 -9.94 37.50% CHEMBL1084850 Active 59.87%
ACM4_HUMAN cholinergic receptor muscarinic 4 -7.19 -8.23 N/A 23.60% CHEMBL809 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -8.96 -9.82 -9.61 23.60% CHEMBL809 Active 56.79%
ACTHR_HUMAN melanocortin 2 receptor -10.53 -10.36 -8.20 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -9.69 -8.47 -9.37 35.48% CHEMBL420 Inactive 53.11%
ADA2A_HUMAN adrenoceptor alpha 2A -3.92 -1.92 5.61 35.48% CHEMBL420 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -9.80 -9.27 -9.64 35.48% CHEMBL420 Inactive 50.72%
ADA2C_HUMAN adrenoceptor alpha 2C -4.67 -3.82 1.51 35.48% CHEMBL420 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -9.97 -10.00 -9.97 40.79% CHEMBL269823 Active 57.53%
ADRB2_HUMAN adrenoceptor beta 2 -9.46 -10.40 -10.61 33.80% CHEMBL49080 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -10.05 -11.11 -9.76 40.79% CHEMBL269823 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -8.73 -9.27 -8.86 19.17% CHEMBL290286 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -9.90 -9.97 -9.71 19.84% CHEMBL551435 Inactive 80.00%
CALCR_HUMAN calcitonin receptor -8.73 -9.06 -8.56 8.95% CHEMBL2369897 Inactive 99.03%
CCKAR_HUMAN cholecystokinin A receptor -8.56 -7.41 -8.63 18.75% CHEMBL206025 Inactive 97.17%
CCR1_HUMAN C-C motif chemokine receptor 1 -8.67 -8.73 -8.68 31.58% CHEMBL2205805 Inactive 71.01%
CCR2_HUMAN C-C motif chemokine receptor 2 -8.62 -8.45 -8.55 25.22% CHEMBL337720 Inactive 80.28%
CCR4_HUMAN C-C motif chemokine receptor 4 -7.89 -9.07 -9.29 21.10% CHEMBL233047 Inactive 61.38%
CCR5_HUMAN C-C motif chemokine receptor 5 -8.41 -8.89 -8.68 24.42% CHEMBL94032 Inactive 95.16%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -8.77 -10.10 -9.49 18.83% CHEMBL416769 Inactive 85.64%
CNR1_HUMAN cannabinoid receptor 1 -8.91 -8.47 -8.79 57.89% CHEMBL3950898 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -10.40 -9.61 N/A 57.89% CHEMBL3950898 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -0.87 N/A N/A 25.61% CHEMBL139 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -8.09 -7.40 -7.45 21.93% CHEMBL82566 Inactive 68.44%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -10.91 -10.57 -10.82 46.97% CHEMBL2181445 Active 70.58%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -10.04 -7.02 -8.81 21.88% CHEMBL2311089 N/A N/A
DRD1_HUMAN dopamine receptor D1 -9.67 -9.00 -9.22 27.06% CHEMBL383451 Inactive 62.67%
DRD2_HUMAN dopamine receptor D2 -9.86 N/A N/A 30.16% CHEMBL2048227 N/A N/A
DRD3_HUMAN dopamine receptor D3 -9.60 N/A N/A 28.12% CHEMBL374749 N/A N/A
DRD4_HUMAN dopamine receptor D4 -9.85 -9.66 N/A 32.14% CHEMBL366043 N/A N/A
DRD5_HUMAN dopamine receptor D5 -7.74 -10.64 -9.84 27.06% CHEMBL383451 Inactive 71.77%
EDNRA_HUMAN endothelin receptor type A -7.69 -7.74 -7.95 26.47% CHEMBL283200 Inactive 68.94%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 0.68 -8.41 30.65 18.58% CHEMBL2391908 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -8.25 -7.84 -7.40 22.77% CHEMBL537171 Inactive 83.67%
GRM1_HUMAN glutamate metabotropic receptor 1 -11.21 -10.82 -10.22 22.22% CHEMBL1269125 Inactive 55.62%
GRM2_HUMAN glutamate metabotropic receptor 2 -4.00 -5.77 -1.07 35.63% CHEMBL503697 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 -4.87 -7.41 -8.25 26.25% CHEMBL333771 Inactive 95.07%
GRM4_HUMAN glutamate metabotropic receptor 4 2.86 1.54 2.79 23.36% CHEMBL2023456 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -10.37 -5.62 -4.04 32.29% CHEMBL3603919 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -2.71 -7.82 -2.37 16.13% CHEMBL566136 Inactive 99.99%
GRM7_HUMAN glutamate metabotropic receptor 7 2.76 -0.62 -0.12 11.26% CHEMBL3560922 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 6.27 5.96 6.01 18.07% CHEMBL143210 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -9.78 N/A N/A 26.60% CHEMBL105385 N/A N/A
HRH2_HUMAN histamine receptor H2 -9.13 -8.71 -8.84 26.47% CHEMBL2207642 Active 82.76%
HRH3_HUMAN histamine receptor H3 -8.58 -9.53 -8.80 44.44% CHEMBL209478 Active 59.79%
HRH4_HUMAN histamine receptor H4 -10.18 -9.66 -9.67 32.26% CHEMBL1934049 Inactive 76.68%
MC3R_HUMAN melanocortin 3 receptor -9.60 -9.16 -9.01 20.00% CHEMBL185862 Inactive 72.02%
MC4R_HUMAN melanocortin 4 receptor -7.76 -7.31 -8.16 29.29% CHEMBL226177 Inactive 87.60%
MC5R_HUMAN melanocortin 5 receptor -6.72 -9.60 -6.00 24.56% CHEMBL3940009 Inactive 95.18%
MSHR_HUMAN melanocortin 1 receptor -8.07 -8.48 -7.80 17.73% CHEMBL2371969 Inactive 85.65%
NK1R_HUMAN tachykinin receptor 1 -9.00 -9.50 -9.62 35.71% CHEMBL92032 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -9.68 -9.93 -10.13 27.10% CHEMBL3642161 Inactive 66.58%
NPBW1_HUMAN neuropeptides B and W receptor 1 -8.07 -8.28 -7.42 15.58% CHEMBL2314317 Inactive 96.27%
NPFF1_HUMAN neuropeptide FF receptor 1 -9.40 -9.11 -7.91 29.73% CHEMBL575058 Inactive 68.00%
NPSR1_HUMAN neuropeptide S receptor 1 -9.23 -10.75 -8.90 16.07% CHEMBL1289780 Inactive 58.42%
NPY1R_HUMAN neuropeptide Y receptor Y1 -10.03 -8.65 -8.98 18.27% CHEMBL551876 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -8.25 -8.99 -7.87 21.48% CHEMBL1398754 Inactive 95.85%
NPY4R_HUMAN neuropeptide Y receptor Y4 -9.03 -9.57 -9.50 16.67% CHEMBL3559801 Inactive 99.63%
NPY5R_HUMAN neuropeptide Y receptor Y5 -8.12 -7.96 -7.78 30.11% CHEMBL332561 Inactive 88.51%
OPRD_HUMAN opioid receptor delta 1 -7.74 -6.25 -7.09 26.50% CHEMBL250186 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -9.86 -9.89 -8.31 28.38% CHEMBL102999 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -8.54 -7.21 -8.26 26.67% CHEMBL1818338 Inactive 84.04%
OPRX_HUMAN opioid related nociceptin receptor 1 -8.49 -7.79 -8.52 26.32% CHEMBL320991 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -8.80 -9.59 -9.87 20.39% CHEMBL416120 Inactive 67.10%
TAAR1_HUMAN trace amine associated receptor 1 -10.18 -10.36 -9.47 45.65% CHEMBL274497 Inactive 52.89%
TSHR_HUMAN thyroid stimulating hormone receptor -9.59 -11.33 -9.46 18.26% CHEMBL4114422 Inactive 92.12%
V1AR_HUMAN arginine vasopressin receptor 1A -9.50 -8.48 -8.84 36.47% CHEMBL1085123 Inactive 56.34%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -8.68 -8.06 -8.14 14.20% CHEMBL520349 N/A N/A