test #46 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
5HT1A_HUMAN

Docking Scores:
-7.71 -7.09 -8.02
Similarity Score:
41.54%
Best Match:
CHEMBL146942
Prediction Result:
Inactive65.27%

5HT1B_HUMAN

Docking Scores:
-8.38 -8.00 -7.92
Similarity Score:
41.54%
Best Match:
CHEMBL146942
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-7.91 -7.81 -7.06
Similarity Score:
40.79%
Best Match:
CHEMBL140415
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-7.64 -7.81 -7.19
Similarity Score:
21.43%
Best Match:
CHEMBL39
Prediction Result:
Active59.10%

5HT1F_HUMAN

Docking Scores:
-7.90 -7.94 -8.35
Similarity Score:
25.00%
Best Match:
CHEMBL497963
Prediction Result:
Inactive64.17%

5HT2A_HUMAN

Docking Scores:
-8.76 -8.54
Similarity Score:
57.14%
Best Match:
CHEMBL445747
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-7.76 -7.96 -8.05
Similarity Score:
57.14%
Best Match:
CHEMBL445747
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-8.48 -8.31
Similarity Score:
64.91%
Best Match:
CHEMBL474950
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-8.92 -9.15 -8.63
Similarity Score:
25.00%
Best Match:
CHEMBL80015
Prediction Result:
Inactive84.50%

5HT5A_HUMAN

Docking Scores:
-8.42 -7.68 -8.19
Similarity Score:
37.18%
Best Match:
CHEMBL187415
Prediction Result:
Inactive70.09%

5HT6R_HUMAN

Docking Scores:
-7.95 -7.74 -7.86
Similarity Score:
41.54%
Best Match:
CHEMBL146942
Prediction Result:
Active60.02%

5HT7R_HUMAN

Docking Scores:
-7.94 -7.59 -7.74
Similarity Score:
61.22%
Best Match:
CHEMBL234885
Prediction Result:
Active71.49%

AA1R_HUMAN

Docking Scores:
-8.52 -8.36 -8.62
Similarity Score:
29.06%
Best Match:
CHEMBL220118
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-8.38 -8.54 -8.45
Similarity Score:
29.06%
Best Match:
CHEMBL220118
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-7.27 -7.81 -7.13
Similarity Score:
24.04%
Best Match:
CHEMBL222719
Prediction Result:
Inactive62.85%

AA3R_HUMAN

Docking Scores:
-9.30 -8.70 -7.74
Similarity Score:
36.36%
Best Match:
CHEMBL701
Prediction Result:
Active83.33%

ACM1_HUMAN

Docking Scores:
-8.64 -9.74
Similarity Score:
45.07%
Best Match:
CHEMBL72506
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-8.08 -7.45 -9.03
Similarity Score:
45.07%
Best Match:
CHEMBL72506
Prediction Result:
Active61.42%

ACM3_HUMAN

Docking Scores:
-7.37 -8.38 -9.20
Similarity Score:
43.94%
Best Match:
CHEMBL3084397
Prediction Result:
Active56.48%

ACM4_HUMAN

Docking Scores:
-8.99 -8.61
Similarity Score:
41.77%
Best Match:
CHEMBL443780
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-8.33 -8.30 -8.56
Similarity Score:
41.43%
Best Match:
CHEMBL1490
Prediction Result:
Active66.38%

ACTHR_HUMAN

Docking Scores:
-9.65 -9.80 -8.83
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-7.53 -7.56 -7.24
Similarity Score:
39.39%
Best Match:
CHEMBL21731
Prediction Result:
Inactive53.71%

ADA2A_HUMAN

Docking Scores:
-8.67 -8.16 -6.13
Similarity Score:
48.00%
Best Match:
CHEMBL61006
Prediction Result:
Active81.42%

ADA2B_HUMAN

Docking Scores:
-9.69 -9.39 -8.84
Similarity Score:
39.39%
Best Match:
CHEMBL21731
Prediction Result:
Active57.36%

ADA2C_HUMAN

Docking Scores:
-5.84 -4.99 -4.04
Similarity Score:
39.71%
Best Match:
CHEMBL17157
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-8.03 -8.11 -8.27
Similarity Score:
44.30%
Best Match:
CHEMBL451760
Prediction Result:
Active61.57%

ADRB2_HUMAN

Docking Scores:
-7.52 -8.79 -8.73
Similarity Score:
35.80%
Best Match:
CHEMBL1800935
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-8.50 -9.53 -8.33
Similarity Score:
45.35%
Best Match:
CHEMBL456971
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-8.58 -8.87 -8.59
Similarity Score:
30.70%
Best Match:
CHEMBL290286
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-8.04 -8.86 -8.79
Similarity Score:
24.36%
Best Match:
CHEMBL121565
Prediction Result:
Inactive85.09%

CALCR_HUMAN

Docking Scores:
-7.19 -7.12 -7.33
Similarity Score:
17.65%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive98.29%

CCKAR_HUMAN

Docking Scores:
-8.31 -7.69 -8.24
Similarity Score:
25.64%
Best Match:
CHEMBL1210154
Prediction Result:
Inactive96.66%

CCR1_HUMAN

Docking Scores:
-8.52 -8.17 -7.36
Similarity Score:
35.53%
Best Match:
CHEMBL140270
Prediction Result:
Inactive90.49%

CCR2_HUMAN

Docking Scores:
-7.45 -7.72 -7.28
Similarity Score:
48.15%
Best Match:
CHEMBL3754334
Prediction Result:
Inactive79.50%

CCR4_HUMAN

Docking Scores:
-7.10 -7.33 -7.43
Similarity Score:
20.90%
Best Match:
CHEMBL208249
Prediction Result:
Inactive80.82%

CCR5_HUMAN

Docking Scores:
-7.60 -7.58 -8.07
Similarity Score:
39.71%
Best Match:
CHEMBL17157
Prediction Result:
Inactive98.09%

CLTR1_HUMAN

Docking Scores:
-8.65 -8.87 -9.14
Similarity Score:
29.90%
Best Match:
CHEMBL22776
Prediction Result:
Inactive92.43%

CNR1_HUMAN

Docking Scores:
-8.18 -8.40 -9.08
Similarity Score:
71.70%
Best Match:
CHEMBL233182
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-9.15 -8.88
Similarity Score:
71.70%
Best Match:
CHEMBL233182
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-7.50
Similarity Score:
27.63%
Best Match:
CHEMBL191413
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-7.84 -6.51 -6.12
Similarity Score:
27.63%
Best Match:
CHEMBL191413
Prediction Result:
Inactive71.47%

CXCR3_HUMAN

Docking Scores:
-8.19 -8.33 -8.32
Similarity Score:
32.99%
Best Match:
CHEMBL2205063
Prediction Result:
Inactive94.39%

CXCR4_HUMAN

Docking Scores:
-7.84 -6.16 -6.89
Similarity Score:
22.31%
Best Match:
CHEMBL364295
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-8.06 -8.21 -7.88
Similarity Score:
39.39%
Best Match:
CHEMBL21731
Prediction Result:
Inactive52.13%

DRD2_HUMAN

Docking Scores:
-7.86
Similarity Score:
44.05%
Best Match:
CHEMBL314536
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-8.12
Similarity Score:
45.90%
Best Match:
CHEMBL93234
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-7.38 -8.19
Similarity Score:
39.56%
Best Match:
CHEMBL317988
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-7.90 -8.66 -8.75
Similarity Score:
39.39%
Best Match:
CHEMBL21731
Prediction Result:
Active57.87%

EDNRA_HUMAN

Docking Scores:
-6.45 -6.87 -6.82
Similarity Score:
44.32%
Best Match:
CHEMBL31662
Prediction Result:
Inactive55.31%

GABR1_HUMAN

Docking Scores:
-7.76 -8.13 -8.51
Similarity Score:
19.66%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive94.00%

GASR_HUMAN

Docking Scores:
-7.76 -7.53 -6.11
Similarity Score:
24.11%
Best Match:
CHEMBL1171596
Prediction Result:
Inactive82.64%

GRM1_HUMAN

Docking Scores:
-9.00 -8.92 -8.68
Similarity Score:
38.96%
Best Match:
CHEMBL254372
Prediction Result:
Inactive61.70%

GRM2_HUMAN

Docking Scores:
-7.68 -8.19 -7.93
Similarity Score:
44.78%
Best Match:
CHEMBL124501
Prediction Result:
Active66.57%

GRM3_HUMAN

Docking Scores:
-8.55 -9.58 -9.94
Similarity Score:
44.78%
Best Match:
CHEMBL124501
Prediction Result:
Inactive54.22%

GRM4_HUMAN

Docking Scores:
-6.27 -6.13 -6.12
Similarity Score:
18.69%
Best Match:
CHEMBL2022867
Prediction Result:
Inactive93.98%

GRM5_HUMAN

Docking Scores:
-8.54 -10.41 -10.23
Similarity Score:
40.54%
Best Match:
CHEMBL1682795
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-8.73 -9.06 -8.81
Similarity Score:
19.05%
Best Match:
CHEMBL566136
Prediction Result:
Inactive97.98%

GRM7_HUMAN

Docking Scores:
-7.13 -6.55 -7.32
Similarity Score:
29.90%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
-6.07 -7.50 -6.96
Similarity Score:
29.90%
Best Match:
CHEMBL432038
Prediction Result:
Inactive97.89%

HRH1_HUMAN

Docking Scores:
-9.11
Similarity Score:
44.44%
Best Match:
CHEMBL594138
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-9.33 -7.78 -9.37
Similarity Score:
39.39%
Best Match:
CHEMBL21731
Prediction Result:
Active97.86%

HRH3_HUMAN

Docking Scores:
-8.50 -7.74 -7.72
Similarity Score:
54.93%
Best Match:
CHEMBL3402682
Prediction Result:
Active83.12%

HRH4_HUMAN

Docking Scores:
-7.95 -7.50 -7.60
Similarity Score:
47.76%
Best Match:
CHEMBL1934066
Prediction Result:
Active71.36%

MC3R_HUMAN

Docking Scores:
-9.03 -8.21 -7.61
Similarity Score:
24.41%
Best Match:
CHEMBL1093304
Prediction Result:
Inactive72.70%

MC4R_HUMAN

Docking Scores:
-6.35 -6.80 -7.24
Similarity Score:
41.94%
Best Match:
CHEMBL194464
Prediction Result:
Inactive67.75%

MC5R_HUMAN

Docking Scores:
-6.69 -7.65 -7.21
Similarity Score:
25.00%
Best Match:
CHEMBL3927489
Prediction Result:
Active50.37%

MSHR_HUMAN

Docking Scores:
-8.49 -8.06 -8.26
Similarity Score:
24.41%
Best Match:
CHEMBL1093307
Prediction Result:
Inactive82.27%

NK1R_HUMAN

Docking Scores:
-7.84 -8.03 -7.63
Similarity Score:
45.45%
Best Match:
CHEMBL143813
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-8.31 -7.98 -7.70
Similarity Score:
39.71%
Best Match:
CHEMBL17157
Prediction Result:
Inactive97.70%

NPBW1_HUMAN

Docking Scores:
-7.08 -6.71 -6.88
Similarity Score:
18.01%
Best Match:
CHEMBL1940539
Prediction Result:
Inactive96.24%

NPFF1_HUMAN

Docking Scores:
-7.33 -7.26 -6.71
Similarity Score:
30.00%
Best Match:
CHEMBL3361436
Prediction Result:
Inactive92.98%

NPSR1_HUMAN

Docking Scores:
-7.98 -8.81 -7.42
Similarity Score:
23.76%
Best Match:
CHEMBL3086828
Prediction Result:
Inactive77.37%

NPY1R_HUMAN

Docking Scores:
-8.71 -8.02 -7.84
Similarity Score:
34.33%
Best Match:
CHEMBL3559801
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-7.36 -7.04 -6.83
Similarity Score:
34.33%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive93.84%

NPY4R_HUMAN

Docking Scores:
-7.37 -7.29 -7.03
Similarity Score:
34.33%
Best Match:
CHEMBL3559801
Prediction Result:
Active85.32%

NPY5R_HUMAN

Docking Scores:
-6.89 -7.01 -6.95
Similarity Score:
34.33%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive93.70%

OPRD_HUMAN

Docking Scores:
-7.80 -7.16 -7.03
Similarity Score:
41.49%
Best Match:
CHEMBL3809491
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-8.88 -8.36 -8.26
Similarity Score:
42.86%
Best Match:
CHEMBL3809091
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-8.28 -7.28 -7.37
Similarity Score:
46.03%
Best Match:
CHEMBL3937167
Prediction Result:
Inactive67.72%

OPRX_HUMAN

Docking Scores:
-7.36 -7.17 -7.46
Similarity Score:
46.03%
Best Match:
CHEMBL3937167
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-8.46 -8.38 -8.38
Similarity Score:
34.12%
Best Match:
CHEMBL297624
Prediction Result:
Inactive63.74%

TAAR1_HUMAN

Docking Scores:
-8.91 -7.95 -8.38
Similarity Score:
46.67%
Best Match:
CHEMBL19393
Prediction Result:
Active68.79%

TSHR_HUMAN

Docking Scores:
-8.38 -8.67 -8.82
Similarity Score:
25.45%
Best Match:
CHEMBL3891546
Prediction Result:
Inactive97.75%

V1AR_HUMAN

Docking Scores:
-7.00 -7.35 -7.79
Similarity Score:
28.09%
Best Match:
CHEMBL1084823
Prediction Result:
Inactive97.57%

VIPR1_HUMAN

Docking Scores:
-7.72 -7.51 -8.11
Similarity Score:
18.18%
Best Match:
CHEMBL483749
Prediction Result:
N/A