test #45 Output Download CSV

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

Docking Scores:
-6.12 -5.75 -5.82
Similarity Score:
48.21%
Best Match:
CHEMBL146942
Prediction Result:
Active53.72%

5HT1B_HUMAN

Docking Scores:
-6.57 -6.29 -6.07
Similarity Score:
48.21%
Best Match:
CHEMBL146942
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-6.25 -6.41 -6.18
Similarity Score:
43.75%
Best Match:
CHEMBL73281
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-6.30 -6.41 -6.59
Similarity Score:
24.00%
Best Match:
CHEMBL39
Prediction Result:
Inactive60.65%

5HT1F_HUMAN

Docking Scores:
-6.39 -6.81 -6.58
Similarity Score:
24.49%
Best Match:
CHEMBL3617549
Prediction Result:
Inactive76.99%

5HT2A_HUMAN

Docking Scores:
-6.71 -6.43
Similarity Score:
70.00%
Best Match:
CHEMBL445747
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-6.90 -6.87 -6.95
Similarity Score:
70.00%
Best Match:
CHEMBL445747
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-6.96 -6.84
Similarity Score:
70.00%
Best Match:
CHEMBL445747
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-6.60 -6.82 -6.41
Similarity Score:
27.27%
Best Match:
CHEMBL80015
Prediction Result:
Inactive60.61%

5HT5A_HUMAN

Docking Scores:
-6.67 -6.36 -6.39
Similarity Score:
34.09%
Best Match:
CHEMBL161507
Prediction Result:
Inactive52.75%

5HT6R_HUMAN

Docking Scores:
-6.17 -6.00 -6.05
Similarity Score:
48.21%
Best Match:
CHEMBL146942
Prediction Result:
Inactive56.56%

5HT7R_HUMAN

Docking Scores:
-6.37 -6.67 -6.54
Similarity Score:
53.06%
Best Match:
CHEMBL443757
Prediction Result:
Active90.84%

AA1R_HUMAN

Docking Scores:
-6.48 -6.74 -6.85
Similarity Score:
29.07%
Best Match:
CHEMBL1544
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-7.02 -6.85 -6.54
Similarity Score:
26.87%
Best Match:
CHEMBL86771
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-6.01 -6.21 -5.60
Similarity Score:
21.21%
Best Match:
CHEMBL67949
Prediction Result:
Inactive63.00%

AA3R_HUMAN

Docking Scores:
-7.54 -7.43 -6.07
Similarity Score:
42.11%
Best Match:
CHEMBL701
Prediction Result:
Active66.38%

ACM1_HUMAN

Docking Scores:
-6.88 -7.56
Similarity Score:
49.15%
Best Match:
CHEMBL3084679
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-6.21 -5.97 -6.88
Similarity Score:
49.15%
Best Match:
CHEMBL3084679
Prediction Result:
Active70.92%

ACM3_HUMAN

Docking Scores:
-5.72 -6.50 -6.98
Similarity Score:
50.88%
Best Match:
CHEMBL3084397
Prediction Result:
Active51.52%

ACM4_HUMAN

Docking Scores:
-7.04 -6.78
Similarity Score:
47.54%
Best Match:
CHEMBL1490
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-6.52 -6.37 -6.73
Similarity Score:
47.54%
Best Match:
CHEMBL1490
Prediction Result:
Inactive57.33%

ACTHR_HUMAN

Docking Scores:
-8.31 -8.17 -7.24
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-6.13 -6.32 -5.89
Similarity Score:
45.61%
Best Match:
CHEMBL21731
Prediction Result:
Active79.31%

ADA2A_HUMAN

Docking Scores:
-7.04 -6.98 -6.47
Similarity Score:
58.54%
Best Match:
CHEMBL61006
Prediction Result:
Active87.69%

ADA2B_HUMAN

Docking Scores:
-7.34 -7.20 -7.25
Similarity Score:
45.61%
Best Match:
CHEMBL21731
Prediction Result:
Active64.55%

ADA2C_HUMAN

Docking Scores:
-6.26 -6.25 -5.93
Similarity Score:
45.76%
Best Match:
CHEMBL17157
Prediction Result:
Active73.22%

ADRB1_HUMAN

Docking Scores:
-6.27 -6.51 -6.37
Similarity Score:
36.23%
Best Match:
CHEMBL566777
Prediction Result:
Inactive56.85%

ADRB2_HUMAN

Docking Scores:
-6.50 -7.17 -6.74
Similarity Score:
40.62%
Best Match:
CHEMBL1800960
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-7.11 -7.34 -7.00
Similarity Score:
36.00%
Best Match:
CHEMBL12994
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-6.79 -6.64 -6.46
Similarity Score:
24.75%
Best Match:
CHEMBL128416
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-6.75 -7.08 -6.95
Similarity Score:
27.54%
Best Match:
CHEMBL121565
Prediction Result:
Inactive84.86%

CALCR_HUMAN

Docking Scores:
-5.96 -5.73 -5.65
Similarity Score:
18.75%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive61.21%

CCKAR_HUMAN

Docking Scores:
-6.64 -6.46 -7.22
Similarity Score:
20.49%
Best Match:
CHEMBL105619
Prediction Result:
Inactive92.66%

CCR1_HUMAN

Docking Scores:
-7.24 -7.48 -5.81
Similarity Score:
40.30%
Best Match:
CHEMBL140270
Prediction Result:
Inactive98.77%

CCR2_HUMAN

Docking Scores:
-6.12 -6.08 -5.67
Similarity Score:
41.67%
Best Match:
CHEMBL3753178
Prediction Result:
Inactive98.28%

CCR4_HUMAN

Docking Scores:
-5.71 -5.96 -6.59
Similarity Score:
22.40%
Best Match:
CHEMBL208249
Prediction Result:
Inactive90.56%

CCR5_HUMAN

Docking Scores:
-6.37 -6.67 -6.23
Similarity Score:
45.76%
Best Match:
CHEMBL17157
Prediction Result:
Inactive96.21%

CLTR1_HUMAN

Docking Scores:
-7.47 -7.97 -7.44
Similarity Score:
32.95%
Best Match:
CHEMBL22776
Prediction Result:
Inactive92.84%

CNR1_HUMAN

Docking Scores:
-6.34 -6.54 -7.23
Similarity Score:
57.69%
Best Match:
CHEMBL233182
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-7.13 -7.24
Similarity Score:
76.32%
Best Match:
CHEMBL264412
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-6.61
Similarity Score:
31.34%
Best Match:
CHEMBL191413
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-7.06 -5.22 -5.12
Similarity Score:
31.34%
Best Match:
CHEMBL191413
Prediction Result:
Inactive64.62%

CXCR3_HUMAN

Docking Scores:
-6.85 -6.94 -6.88
Similarity Score:
31.65%
Best Match:
CHEMBL495752
Prediction Result:
Inactive98.90%

CXCR4_HUMAN

Docking Scores:
-7.24 -5.25 -6.06
Similarity Score:
25.40%
Best Match:
CHEMBL2170299
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-6.60 -6.57 -6.21
Similarity Score:
45.61%
Best Match:
CHEMBL21731
Prediction Result:
Active51.17%

DRD2_HUMAN

Docking Scores:
-6.27
Similarity Score:
48.39%
Best Match:
CHEMBL130665
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-6.82
Similarity Score:
53.85%
Best Match:
CHEMBL93234
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-6.41 -6.26
Similarity Score:
42.42%
Best Match:
CHEMBL1258270
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-6.69 -6.87 -6.91
Similarity Score:
45.61%
Best Match:
CHEMBL21731
Prediction Result:
Inactive76.86%

EDNRA_HUMAN

Docking Scores:
-5.13 -6.03 -5.49
Similarity Score:
40.30%
Best Match:
CHEMBL290026
Prediction Result:
Inactive91.18%

GABR1_HUMAN

Docking Scores:
-6.95 -7.06 -7.52
Similarity Score:
21.30%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive92.62%

GASR_HUMAN

Docking Scores:
-6.11 -6.44 -5.31
Similarity Score:
26.44%
Best Match:
CHEMBL38874
Prediction Result:
Inactive92.40%

GRM1_HUMAN

Docking Scores:
-7.01 -7.02 -6.84
Similarity Score:
42.03%
Best Match:
CHEMBL254372
Prediction Result:
Inactive63.03%

GRM2_HUMAN

Docking Scores:
-7.52 -7.82 -7.56
Similarity Score:
51.79%
Best Match:
CHEMBL2112585
Prediction Result:
Active75.03%

GRM3_HUMAN

Docking Scores:
-8.05 -8.31 -7.95
Similarity Score:
51.79%
Best Match:
CHEMBL2112584
Prediction Result:
Active77.48%

GRM4_HUMAN

Docking Scores:
-6.46 -6.59 -6.58
Similarity Score:
18.05%
Best Match:
CHEMBL3797923
Prediction Result:
Inactive94.99%

GRM5_HUMAN

Docking Scores:
-7.09 -8.14 -8.05
Similarity Score:
46.15%
Best Match:
CHEMBL1682795
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-7.54 -7.74 -7.58
Similarity Score:
14.81%
Best Match:
CHEMBL280563
Prediction Result:
Inactive98.44%

GRM7_HUMAN

Docking Scores:
-6.73 -6.74 -7.02
Similarity Score:
32.95%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
-6.46 -6.99 -6.72
Similarity Score:
32.95%
Best Match:
CHEMBL432038
Prediction Result:
Inactive98.49%

HRH1_HUMAN

Docking Scores:
-7.68
Similarity Score:
53.33%
Best Match:
CHEMBL594138
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-8.15 -6.78 -7.05
Similarity Score:
45.61%
Best Match:
CHEMBL21731
Prediction Result:
Active84.49%

HRH3_HUMAN

Docking Scores:
-6.64 -5.64 -5.79
Similarity Score:
54.72%
Best Match:
CHEMBL1270058
Prediction Result:
Active97.32%

HRH4_HUMAN

Docking Scores:
-6.11 -5.97 -6.12
Similarity Score:
40.62%
Best Match:
CHEMBL1934066
Prediction Result:
Active61.21%

MC3R_HUMAN

Docking Scores:
-7.24 -7.02 -6.03
Similarity Score:
25.49%
Best Match:
CHEMBL272099
Prediction Result:
Inactive77.79%

MC4R_HUMAN

Docking Scores:
-5.44 -5.51 -5.97
Similarity Score:
49.06%
Best Match:
CHEMBL194464
Prediction Result:
Active55.19%

MC5R_HUMAN

Docking Scores:
-5.61 -6.78 -5.61
Similarity Score:
26.26%
Best Match:
CHEMBL3958082
Prediction Result:
Inactive67.06%

MSHR_HUMAN

Docking Scores:
-6.97 -6.34 -6.89
Similarity Score:
25.25%
Best Match:
CHEMBL1091631
Prediction Result:
Inactive65.25%

NK1R_HUMAN

Docking Scores:
-6.32 -6.59 -5.88
Similarity Score:
52.63%
Best Match:
CHEMBL143813
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-6.31 -6.18 -6.32
Similarity Score:
45.76%
Best Match:
CHEMBL17157
Prediction Result:
Inactive98.46%

NPBW1_HUMAN

Docking Scores:
-5.76 -5.77 -5.54
Similarity Score:
19.08%
Best Match:
CHEMBL1940539
Prediction Result:
Inactive93.40%

NPFF1_HUMAN

Docking Scores:
-6.00 -5.71 -5.52
Similarity Score:
30.23%
Best Match:
CHEMBL3361424
Prediction Result:
Inactive61.91%

NPSR1_HUMAN

Docking Scores:
-6.08 -7.32 -5.99
Similarity Score:
26.09%
Best Match:
CHEMBL3086828
Prediction Result:
Inactive85.25%

NPY1R_HUMAN

Docking Scores:
-6.87 -6.67 -6.34
Similarity Score:
39.66%
Best Match:
CHEMBL3559801
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-6.11 -5.72 -5.61
Similarity Score:
39.66%
Best Match:
CHEMBL3559801
Prediction Result:
Active60.54%

NPY4R_HUMAN

Docking Scores:
-6.18 -5.88 -5.41
Similarity Score:
39.66%
Best Match:
CHEMBL3559801
Prediction Result:
Active96.09%

NPY5R_HUMAN

Docking Scores:
-5.65 -5.69 -5.72
Similarity Score:
39.66%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive76.55%

OPRD_HUMAN

Docking Scores:
-6.13 -5.70 -6.19
Similarity Score:
47.37%
Best Match:
CHEMBL202327
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-6.92 -6.83 -6.24
Similarity Score:
47.46%
Best Match:
CHEMBL2260849
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-6.55 -5.86 -6.02
Similarity Score:
53.70%
Best Match:
CHEMBL3937167
Prediction Result:
Inactive74.62%

OPRX_HUMAN

Docking Scores:
-5.90 -5.85 -6.07
Similarity Score:
53.70%
Best Match:
CHEMBL3937167
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-7.26 -7.43 -7.43
Similarity Score:
38.16%
Best Match:
CHEMBL297624
Prediction Result:
Active51.20%

TAAR1_HUMAN

Docking Scores:
-6.92 -6.31 -6.57
Similarity Score:
58.33%
Best Match:
CHEMBL19393
Prediction Result:
Active78.08%

TSHR_HUMAN

Docking Scores:
-6.65 -6.86 -6.60
Similarity Score:
27.72%
Best Match:
CHEMBL3891546
Prediction Result:
Inactive92.76%

V1AR_HUMAN

Docking Scores:
-5.78 -5.71 -6.51
Similarity Score:
29.03%
Best Match:
CHEMBL1807275
Prediction Result:
Inactive96.57%

VIPR1_HUMAN

Docking Scores:
-6.90 -5.72 -6.86
Similarity Score:
18.47%
Best Match:
CHEMBL483749
Prediction Result:
N/A