test #53 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

5HT1A_HUMAN

Docking Scores:
-3.35 -3.12 -3.30
Similarity Score:
10.00%
Best Match:
CHEMBL158973
Prediction Result:
Inactive99.99%

5HT1B_HUMAN

Docking Scores:
-3.57 -3.59 -3.58
Similarity Score:
7.55%
Best Match:
CHEMBL146942
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-3.45 -3.59 -3.77
Similarity Score:
6.67%
Best Match:
CHEMBL138907
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-3.50 -3.76 -3.82
Similarity Score:
3.39%
Best Match:
CHEMBL105261
Prediction Result:
Inactive99.99%

5HT1F_HUMAN

Docking Scores:
-3.54 -3.61 -3.65
Similarity Score:
4.55%
Best Match:
CHEMBL103424
Prediction Result:
Inactive99.99%

5HT2A_HUMAN

Docking Scores:
-3.43 -3.51
Similarity Score:
13.79%
Best Match:
CHEMBL334255
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-3.60 -3.48 -3.46
Similarity Score:
11.76%
Best Match:
CHEMBL452719
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-3.67 -3.73
Similarity Score:
13.79%
Best Match:
CHEMBL334255
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-3.70 -3.66 -3.63
Similarity Score:
4.71%
Best Match:
CHEMBL1258560
Prediction Result:
Inactive99.99%

5HT5A_HUMAN

Docking Scores:
-3.75 -3.40 -3.16
Similarity Score:
6.56%
Best Match:
CHEMBL189262
Prediction Result:
Inactive99.99%

5HT6R_HUMAN

Docking Scores:
-3.39 -3.10 -3.61
Similarity Score:
14.81%
Best Match:
CHEMBL98511
Prediction Result:
Inactive99.99%

5HT7R_HUMAN

Docking Scores:
-3.31 -3.79 -3.55
Similarity Score:
10.00%
Best Match:
CHEMBL158973
Prediction Result:
Inactive99.99%

AA1R_HUMAN

Docking Scores:
-3.64 -3.38 -3.53
Similarity Score:
11.11%
Best Match:
CHEMBL3314905
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-3.49 -3.59 -3.32
Similarity Score:
11.11%
Best Match:
CHEMBL3314905
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-3.54 -3.49 -3.30
Similarity Score:
5.26%
Best Match:
CHEMBL302344
Prediction Result:
Inactive99.99%

AA3R_HUMAN

Docking Scores:
-3.72 -3.77 -3.17
Similarity Score:
15.38%
Best Match:
CHEMBL575060
Prediction Result:
Inactive99.99%

ACM1_HUMAN

Docking Scores:
-3.66 -4.39
Similarity Score:
17.39%
Best Match:
CHEMBL75880
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-3.76 -3.34 -3.75
Similarity Score:
16.67%
Best Match:
CHEMBL2030626
Prediction Result:
Inactive99.99%

ACM3_HUMAN

Docking Scores:
-3.80 -3.62 -4.10
Similarity Score:
17.39%
Best Match:
CHEMBL75880
Prediction Result:
Inactive99.99%

ACM4_HUMAN

Docking Scores:
-3.73 -3.51
Similarity Score:
17.39%
Best Match:
CHEMBL75880
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-3.38 -3.42 -3.59
Similarity Score:
17.39%
Best Match:
CHEMBL75880
Prediction Result:
Inactive99.99%

ACTHR_HUMAN

Docking Scores:
-4.80 -4.68 -3.98
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-3.34 -3.44 -3.95
Similarity Score:
7.55%
Best Match:
CHEMBL533979
Prediction Result:
Inactive99.99%

ADA2A_HUMAN

Docking Scores:
-3.64 -3.65 -3.65
Similarity Score:
13.79%
Best Match:
CHEMBL334255
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-3.78 -3.81 -3.94
Similarity Score:
13.79%
Best Match:
CHEMBL334255
Prediction Result:
Inactive99.99%

ADA2C_HUMAN

Docking Scores:
-3.79 -3.92 -3.82
Similarity Score:
17.39%
Best Match:
CHEMBL2030634
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-3.56 -3.46 -3.26
Similarity Score:
5.56%
Best Match:
CHEMBL12994
Prediction Result:
Inactive99.99%

ADRB2_HUMAN

Docking Scores:
-3.70 -3.96 -3.86
Similarity Score:
6.67%
Best Match:
CHEMBL1800960
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-3.65 -3.72 -3.77
Similarity Score:
5.56%
Best Match:
CHEMBL12994
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-4.31 -4.32 -4.24
Similarity Score:
4.26%
Best Match:
CHEMBL376286
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-3.77 -3.69 -3.78
Similarity Score:
6.90%
Best Match:
CHEMBL121565
Prediction Result:
Inactive99.99%

CALCR_HUMAN

Docking Scores:
-3.49 -3.45 -3.11
Similarity Score:
2.84%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive99.99%

CCKAR_HUMAN

Docking Scores:
-4.15 -3.62 -4.03
Similarity Score:
4.17%
Best Match:
CHEMBL262444
Prediction Result:
Inactive99.99%

CCR1_HUMAN

Docking Scores:
-3.84 -3.99 -3.95
Similarity Score:
6.45%
Best Match:
CHEMBL33761
Prediction Result:
Inactive99.99%

CCR2_HUMAN

Docking Scores:
-4.01 -3.43 -3.69
Similarity Score:
5.71%
Best Match:
CHEMBL2036772
Prediction Result:
Inactive99.99%

CCR4_HUMAN

Docking Scores:
-2.99 -3.25 -4.13
Similarity Score:
4.65%
Best Match:
CHEMBL1621896
Prediction Result:
Inactive99.99%

CCR5_HUMAN

Docking Scores:
-4.18 -4.07 -3.97
Similarity Score:
7.69%
Best Match:
CHEMBL441635
Prediction Result:
Inactive99.99%

CLTR1_HUMAN

Docking Scores:
-4.25 -4.10 -4.27
Similarity Score:
4.60%
Best Match:
CHEMBL22776
Prediction Result:
Inactive99.99%

CNR1_HUMAN

Docking Scores:
-3.42 -3.75 -4.11
Similarity Score:
10.00%
Best Match:
CHEMBL146346
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-3.80 -3.83
Similarity Score:
19.05%
Best Match:
CHEMBL3360190
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-3.72
Similarity Score:
5.08%
Best Match:
CHEMBL191413
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-3.72 -3.34 -2.92
Similarity Score:
5.08%
Best Match:
CHEMBL191413
Prediction Result:
Inactive99.99%

CXCR3_HUMAN

Docking Scores:
-3.63 -3.54 -3.59
Similarity Score:
8.00%
Best Match:
CHEMBL2205723
Prediction Result:
Inactive99.99%

CXCR4_HUMAN

Docking Scores:
-4.05 -3.17 -3.64
Similarity Score:
8.16%
Best Match:
CHEMBL2170299
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-3.50 -3.62 -3.63
Similarity Score:
7.55%
Best Match:
CHEMBL21731
Prediction Result:
Inactive99.99%

DRD2_HUMAN

Docking Scores:
-3.74
Similarity Score:
10.00%
Best Match:
CHEMBL158973
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-3.60
Similarity Score:
9.30%
Best Match:
CHEMBL1196271
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-3.58 -3.66
Similarity Score:
7.69%
Best Match:
CHEMBL162762
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-3.80 -3.77 -3.68
Similarity Score:
7.55%
Best Match:
CHEMBL21731
Prediction Result:
Inactive99.99%

EDNRA_HUMAN

Docking Scores:
-3.99 -4.12 -4.04
Similarity Score:
6.25%
Best Match:
CHEMBL290026
Prediction Result:
Inactive99.99%

GABR1_HUMAN

Docking Scores:
-3.76 -3.92 -4.60
Similarity Score:
4.17%
Best Match:
CHEMBL392394
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-3.36 -4.04 -2.84
Similarity Score:
4.44%
Best Match:
CHEMBL346784
Prediction Result:
Inactive99.99%

GRM1_HUMAN

Docking Scores:
-3.87 -3.84 -3.72
Similarity Score:
11.43%
Best Match:
CHEMBL38499
Prediction Result:
Inactive99.99%

GRM2_HUMAN

Docking Scores:
-4.03 -4.19 -4.02
Similarity Score:
12.50%
Best Match:
CHEMBL280563
Prediction Result:
Inactive99.99%

GRM3_HUMAN

Docking Scores:
-4.03 -4.22 -4.05
Similarity Score:
15.38%
Best Match:
CHEMBL575060
Prediction Result:
Inactive99.99%

GRM4_HUMAN

Docking Scores:
-3.86 -3.96 -3.99
Similarity Score:
7.41%
Best Match:
CHEMBL229697
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-3.68 -4.45 -4.44
Similarity Score:
11.76%
Best Match:
CHEMBL1783985
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-3.95 -4.07 -4.04
Similarity Score:
12.50%
Best Match:
CHEMBL280563
Prediction Result:
Inactive99.99%

GRM7_HUMAN

Docking Scores:
-3.72 -3.81 -3.82
Similarity Score:
4.60%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
-3.86 -3.85 -3.90
Similarity Score:
15.38%
Best Match:
CHEMBL575060
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-4.10
Similarity Score:
10.26%
Best Match:
CHEMBL594138
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-3.98 -3.59 -4.06
Similarity Score:
7.55%
Best Match:
CHEMBL418470
Prediction Result:
Inactive99.99%

HRH3_HUMAN

Docking Scores:
-3.83 -3.28 -3.09
Similarity Score:
23.53%
Best Match:
CHEMBL1190
Prediction Result:
Inactive99.99%

HRH4_HUMAN

Docking Scores:
-3.61 -3.65 -3.27
Similarity Score:
8.70%
Best Match:
CHEMBL1824228
Prediction Result:
Inactive99.99%

MC3R_HUMAN

Docking Scores:
-4.09 -4.00 -3.86
Similarity Score:
5.80%
Best Match:
CHEMBL407135
Prediction Result:
Inactive99.99%

MC4R_HUMAN

Docking Scores:
-3.17 -3.24 -3.72
Similarity Score:
8.16%
Best Match:
CHEMBL195998
Prediction Result:
Inactive99.99%

MC5R_HUMAN

Docking Scores:
-3.04 -3.77 -3.46
Similarity Score:
5.80%
Best Match:
CHEMBL407135
Prediction Result:
Inactive99.99%

MSHR_HUMAN

Docking Scores:
-4.07 -3.43 -3.88
Similarity Score:
5.88%
Best Match:
CHEMBL267020
Prediction Result:
Inactive99.99%

NK1R_HUMAN

Docking Scores:
-3.28 -3.44 -3.20
Similarity Score:
7.02%
Best Match:
CHEMBL143813
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-3.83 -3.73 -3.80
Similarity Score:
7.14%
Best Match:
CHEMBL17157
Prediction Result:
Inactive99.99%

NPBW1_HUMAN

Docking Scores:
-3.05 -3.26 -3.17
Similarity Score:
3.10%
Best Match:
CHEMBL1999570
Prediction Result:
Inactive99.99%

NPFF1_HUMAN

Docking Scores:
-3.50 -3.68 -3.54
Similarity Score:
5.00%
Best Match:
CHEMBL3361417
Prediction Result:
Inactive99.99%

NPSR1_HUMAN

Docking Scores:
-3.95 -3.66 -3.78
Similarity Score:
4.65%
Best Match:
CHEMBL3086828
Prediction Result:
Inactive99.99%

NPY1R_HUMAN

Docking Scores:
-3.60 -3.73 -3.59
Similarity Score:
7.84%
Best Match:
CHEMBL3559801
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-3.33 -3.06 -3.29
Similarity Score:
7.84%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive99.99%

NPY4R_HUMAN

Docking Scores:
-3.80 -3.25 -3.02
Similarity Score:
7.84%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive99.99%

NPY5R_HUMAN

Docking Scores:
-3.30 -3.25 -3.18
Similarity Score:
7.84%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive99.99%

OPRD_HUMAN

Docking Scores:
-3.52 -3.05 -3.38
Similarity Score:
8.00%
Best Match:
CHEMBL4094512
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-3.81 -3.85 -4.01
Similarity Score:
16.00%
Best Match:
CHEMBL2432039
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-3.83 -3.15 -3.49
Similarity Score:
33.33%
Best Match:
CHEMBL123693
Prediction Result:
Inactive99.99%

OPRX_HUMAN

Docking Scores:
-3.28 -3.16 -3.32
Similarity Score:
8.33%
Best Match:
CHEMBL53256
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-3.98 -3.98 -4.18
Similarity Score:
5.41%
Best Match:
CHEMBL514432
Prediction Result:
Inactive99.99%

TAAR1_HUMAN

Docking Scores:
-3.85 -3.86 -3.48
Similarity Score:
10.71%
Best Match:
CHEMBL19393
Prediction Result:
Inactive99.99%

TSHR_HUMAN

Docking Scores:
-3.69 -3.52 -3.82
Similarity Score:
4.12%
Best Match:
CHEMBL3908443
Prediction Result:
Inactive99.99%

V1AR_HUMAN

Docking Scores:
-3.49 -3.32 -3.43
Similarity Score:
5.80%
Best Match:
CHEMBL1083095
Prediction Result:
Inactive99.99%

VIPR1_HUMAN

Docking Scores:
-3.62 -3.71 -3.56
Similarity Score:
2.56%
Best Match:
CHEMBL483749
Prediction Result:
N/A