test #583 Output Download CSV

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

Docking Scores:
-5.88 -5.84 -5.47
Similarity Score:
35.38%
Best Match:
CHEMBL1255086
Prediction Result:
Inactive74.68%

5HT1B_HUMAN

Docking Scores:
-6.04 -6.32 -5.90
Similarity Score:
33.90%
Best Match:
CHEMBL2112766
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-5.96 -5.93 -6.10
Similarity Score:
29.69%
Best Match:
CHEMBL140416
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-6.21 -6.34 -5.64
Similarity Score:
24.68%
Best Match:
CHEMBL39
Prediction Result:
Inactive56.81%

5HT1F_HUMAN

Docking Scores:
-5.70 -5.54 -6.13
Similarity Score:
24.68%
Best Match:
CHEMBL39
Prediction Result:
Inactive81.81%

5HT2A_HUMAN

Docking Scores:
-6.16 -5.63
Similarity Score:
34.85%
Best Match:
CHEMBL272942
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-6.22 -5.85 -6.27
Similarity Score:
37.04%
Best Match:
CHEMBL558
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-5.69 -6.37
Similarity Score:
34.85%
Best Match:
CHEMBL272942
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-6.21 -6.14 -5.86
Similarity Score:
37.50%
Best Match:
CHEMBL1258451
Prediction Result:
Inactive61.00%

5HT5A_HUMAN

Docking Scores:
-5.85 -5.88 -5.69
Similarity Score:
27.38%
Best Match:
CHEMBL365084
Prediction Result:
Active52.39%

5HT6R_HUMAN

Docking Scores:
-5.94 -5.61 -5.92
Similarity Score:
30.38%
Best Match:
CHEMBL41
Prediction Result:
Inactive82.98%

5HT7R_HUMAN

Docking Scores:
-5.54 -6.02 -5.60
Similarity Score:
31.33%
Best Match:
CHEMBL3262419
Prediction Result:
Inactive51.89%

AA1R_HUMAN

Docking Scores:
-5.62 -5.54 -5.85
Similarity Score:
35.82%
Best Match:
CHEMBL1487093
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-5.35 -5.94 -5.75
Similarity Score:
35.82%
Best Match:
CHEMBL1487093
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-6.05 -6.78 -5.93
Similarity Score:
35.82%
Best Match:
CHEMBL1487093
Prediction Result:
Active51.30%

AA3R_HUMAN

Docking Scores:
-5.84 -5.85 -5.66
Similarity Score:
35.82%
Best Match:
CHEMBL1487093
Prediction Result:
Active61.10%

ACM1_HUMAN

Docking Scores:
-6.03 -6.33
Similarity Score:
39.68%
Best Match:
CHEMBL4102555
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-5.83 -5.59 -5.91
Similarity Score:
35.00%
Best Match:
CHEMBL1290634
Prediction Result:
Active62.48%

ACM3_HUMAN

Docking Scores:
-5.60 -6.20 -6.39
Similarity Score:
39.68%
Best Match:
CHEMBL4102555
Prediction Result:
Inactive61.81%

ACM4_HUMAN

Docking Scores:
-5.88 -5.86
Similarity Score:
33.85%
Best Match:
CHEMBL55
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-6.09 -5.81 -6.14
Similarity Score:
30.38%
Best Match:
CHEMBL41
Prediction Result:
Inactive80.34%

ACTHR_HUMAN

Docking Scores:
-7.19 -6.71 -5.67
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-5.35 -5.17 -5.17
Similarity Score:
38.98%
Best Match:
CHEMBL679
Prediction Result:
Active53.27%

ADA2A_HUMAN

Docking Scores:
-6.22 -6.24 -6.45
Similarity Score:
42.59%
Best Match:
CHEMBL1437
Prediction Result:
Active78.23%

ADA2B_HUMAN

Docking Scores:
-6.63 -6.53 -6.48
Similarity Score:
42.59%
Best Match:
CHEMBL1437
Prediction Result:
Active65.70%

ADA2C_HUMAN

Docking Scores:
-5.87 -6.06 -6.14
Similarity Score:
42.59%
Best Match:
CHEMBL1437
Prediction Result:
Active68.41%

ADRB1_HUMAN

Docking Scores:
-6.09 -6.13 -5.96
Similarity Score:
40.24%
Best Match:
CHEMBL520903
Prediction Result:
Active52.80%

ADRB2_HUMAN

Docking Scores:
-6.20 -6.38 -6.39
Similarity Score:
44.78%
Best Match:
CHEMBL1902287
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-6.40 -6.64 -6.31
Similarity Score:
42.59%
Best Match:
CHEMBL1437
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-5.32 -5.74 -5.60
Similarity Score:
23.30%
Best Match:
CHEMBL376286
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-5.92 -6.25 -5.81
Similarity Score:
26.39%
Best Match:
CHEMBL121565
Prediction Result:
Inactive87.58%

CALCR_HUMAN

Docking Scores:
-5.48 -5.17 -5.84
Similarity Score:
15.85%
Best Match:
CHEMBL4565938
Prediction Result:
Active77.43%

CCKAR_HUMAN

Docking Scores:
-5.20 -5.56 -6.56
Similarity Score:
24.26%
Best Match:
CHEMBL1784685
Prediction Result:
Inactive96.14%

CCR1_HUMAN

Docking Scores:
-5.53 -6.60 -5.29
Similarity Score:
34.38%
Best Match:
CHEMBL3138187
Prediction Result:
Inactive98.35%

CCR2_HUMAN

Docking Scores:
-5.64 -5.39 -5.17
Similarity Score:
35.11%
Best Match:
CHEMBL1171788
Prediction Result:
Inactive92.74%

CCR4_HUMAN

Docking Scores:
-5.70 -5.89 -5.93
Similarity Score:
30.38%
Best Match:
CHEMBL1618631
Prediction Result:
Inactive77.36%

CCR5_HUMAN

Docking Scores:
-6.51 -5.20 -6.72
Similarity Score:
29.55%
Best Match:
CHEMBL319689
Prediction Result:
Inactive99.54%

CLTR1_HUMAN

Docking Scores:
-5.92 -6.37 -6.38
Similarity Score:
35.71%
Best Match:
CHEMBL127842
Prediction Result:
Inactive97.18%

CNR1_HUMAN

Docking Scores:
-5.43 -5.59 -6.01
Similarity Score:
46.43%
Best Match:
CHEMBL243334
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-5.72 -6.10
Similarity Score:
46.43%
Best Match:
CHEMBL243334
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-6.50
Similarity Score:
23.62%
Best Match:
CHEMBL464302
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-6.38 -5.50 -4.88
Similarity Score:
28.70%
Best Match:
CHEMBL380052
Prediction Result:
Inactive63.10%

CXCR3_HUMAN

Docking Scores:
-5.87 -5.88 -5.85
Similarity Score:
26.04%
Best Match:
CHEMBL1085258
Prediction Result:
Inactive97.34%

CXCR4_HUMAN

Docking Scores:
-6.35 -5.44 -5.56
Similarity Score:
27.91%
Best Match:
CHEMBL126657
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-5.88 -5.68 -6.20
Similarity Score:
83.33%
Best Match:
CHEMBL441343
Prediction Result:
Active88.55%

DRD2_HUMAN

Docking Scores:
-5.22
Similarity Score:
42.59%
Best Match:
CHEMBL1437
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-5.94
Similarity Score:
46.55%
Best Match:
CHEMBL286494
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-6.12 -6.11
Similarity Score:
37.93%
Best Match:
CHEMBL59326
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-6.99 -7.05 -6.09
Similarity Score:
35.29%
Best Match:
CHEMBL59
Prediction Result:
Inactive91.73%

EDNRA_HUMAN

Docking Scores:
-4.91 -5.28 -6.70
Similarity Score:
29.33%
Best Match:
CHEMBL290026
Prediction Result:
Inactive86.89%

GABR1_HUMAN

Docking Scores:
-5.79 -5.91 -7.77
Similarity Score:
13.56%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive90.44%

GASR_HUMAN

Docking Scores:
-5.67 -5.28 -5.25
Similarity Score:
22.83%
Best Match:
CHEMBL38874
Prediction Result:
Inactive94.04%

GRM1_HUMAN

Docking Scores:
-6.36 -6.46 -6.33
Similarity Score:
26.80%
Best Match:
CHEMBL441844
Prediction Result:
Inactive88.26%

GRM2_HUMAN

Docking Scores:
-6.69 -6.82 -6.62
Similarity Score:
33.33%
Best Match:
CHEMBL3892611
Prediction Result:
Inactive72.64%

GRM3_HUMAN

Docking Scores:
-7.07 -7.09 -6.84
Similarity Score:
32.05%
Best Match:
CHEMBL2112634
Prediction Result:
Inactive66.40%

GRM4_HUMAN

Docking Scores:
-5.53 -4.99 -5.10
Similarity Score:
25.77%
Best Match:
CHEMBL561835
Prediction Result:
Inactive95.54%

GRM5_HUMAN

Docking Scores:
-6.52 -6.57 -6.53
Similarity Score:
38.27%
Best Match:
CHEMBL1348198
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-6.01 -6.03 -6.14
Similarity Score:
19.01%
Best Match:
CHEMBL566136
Prediction Result:
Inactive93.86%

GRM7_HUMAN

Docking Scores:
-6.12 -5.92 -6.32
Similarity Score:
23.71%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.81%

GRM8_HUMAN

Docking Scores:
-5.87 -5.96 -5.77
Similarity Score:
34.25%
Best Match:
CHEMBL143210
Prediction Result:
Inactive98.35%

HRH1_HUMAN

Docking Scores:
-7.05
Similarity Score:
36.62%
Best Match:
CHEMBL570033
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-7.43 -5.65 -6.39
Similarity Score:
28.00%
Best Match:
CHEMBL490632
Prediction Result:
Active77.68%

HRH3_HUMAN

Docking Scores:
-5.72 -5.41 -5.44
Similarity Score:
41.43%
Best Match:
CHEMBL544242
Prediction Result:
Active86.42%

HRH4_HUMAN

Docking Scores:
-5.87 -5.81 -5.74
Similarity Score:
29.85%
Best Match:
CHEMBL4072893
Prediction Result:
Active50.57%

MC3R_HUMAN

Docking Scores:
-5.91 -5.48 -6.05
Similarity Score:
20.00%
Best Match:
CHEMBL392092
Prediction Result:
Inactive82.33%

MC4R_HUMAN

Docking Scores:
-4.88 -4.71 -4.78
Similarity Score:
25.74%
Best Match:
CHEMBL1380969
Prediction Result:
Inactive94.43%

MC5R_HUMAN

Docking Scores:
-5.69 -5.77 -5.39
Similarity Score:
23.36%
Best Match:
CHEMBL3907645
Prediction Result:
Inactive69.78%

MSHR_HUMAN

Docking Scores:
-5.74 -5.15 -6.89
Similarity Score:
19.81%
Best Match:
CHEMBL379054
Prediction Result:
Inactive57.84%

NK1R_HUMAN

Docking Scores:
-5.76 -5.43 -5.37
Similarity Score:
29.87%
Best Match:
CHEMBL93909
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-5.32 -5.09 -5.47
Similarity Score:
42.65%
Best Match:
CHEMBL4111499
Prediction Result:
Inactive99.13%

NPBW1_HUMAN

Docking Scores:
-5.27 -5.60 -5.75
Similarity Score:
20.44%
Best Match:
CHEMBL1706758
Prediction Result:
Inactive92.07%

NPFF1_HUMAN

Docking Scores:
-5.52 -5.25 -5.37
Similarity Score:
21.85%
Best Match:
CHEMBL3361432
Prediction Result:
Inactive61.23%

NPSR1_HUMAN

Docking Scores:
-5.46 -6.29 -5.86
Similarity Score:
20.20%
Best Match:
CHEMBL3086828
Prediction Result:
Inactive82.72%

NPY1R_HUMAN

Docking Scores:
-6.01 -6.30 -5.70
Similarity Score:
31.25%
Best Match:
CHEMBL3559801
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-5.85 -5.16 -5.18
Similarity Score:
31.25%
Best Match:
CHEMBL3559801
Prediction Result:
Active50.35%

NPY4R_HUMAN

Docking Scores:
-5.64 -5.41 -5.17
Similarity Score:
31.25%
Best Match:
CHEMBL3559801
Prediction Result:
Active94.73%

NPY5R_HUMAN

Docking Scores:
-5.77 -6.54 -5.85
Similarity Score:
31.25%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive91.24%

OPRD_HUMAN

Docking Scores:
-5.70 -4.46 -5.07
Similarity Score:
39.39%
Best Match:
CHEMBL340699
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-5.66 -5.78 -6.11
Similarity Score:
33.33%
Best Match:
CHEMBL1188090
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-6.22 -5.52 -5.52
Similarity Score:
33.77%
Best Match:
CHEMBL423726
Prediction Result:
Inactive93.05%

OPRX_HUMAN

Docking Scores:
-5.46 -5.31 -5.42
Similarity Score:
28.74%
Best Match:
CHEMBL233493
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-5.79 -6.17 -6.15
Similarity Score:
27.06%
Best Match:
CHEMBL297624
Prediction Result:
Inactive85.57%

TAAR1_HUMAN

Docking Scores:
-5.95 -5.84 -5.47
Similarity Score:
46.34%
Best Match:
CHEMBL406341
Prediction Result:
Active82.65%

TSHR_HUMAN

Docking Scores:
-5.98 -6.19 -6.05
Similarity Score:
24.22%
Best Match:
CHEMBL1331194
Prediction Result:
Inactive91.14%

V1AR_HUMAN

Docking Scores:
-5.90 -5.76 -6.43
Similarity Score:
27.43%
Best Match:
CHEMBL3416859
Prediction Result:
Inactive96.79%

VIPR1_HUMAN

Docking Scores:
-5.73 -5.88 -5.75
Similarity Score:
24.26%
Best Match:
CHEMBL1784685
Prediction Result:
N/A