test #50 Output Download CSV

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

Docking Scores:
-7.87 -7.70 -8.39
Similarity Score:
38.18%
Best Match:
CHEMBL2164330
Prediction Result:
Inactive62.00%

5HT1B_HUMAN

Docking Scores:
-9.18 -8.61 -9.16
Similarity Score:
28.30%
Best Match:
CHEMBL2112766
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-8.71 -8.46 -7.80
Similarity Score:
28.12%
Best Match:
CHEMBL139438
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-8.08 -8.44 -8.41
Similarity Score:
16.44%
Best Match:
CHEMBL39
Prediction Result:
Inactive68.77%

5HT1F_HUMAN

Docking Scores:
-9.15 -9.16 -8.18
Similarity Score:
16.44%
Best Match:
CHEMBL39
Prediction Result:
Inactive74.86%

5HT2A_HUMAN

Docking Scores:
-9.86 -9.72
Similarity Score:
39.62%
Best Match:
CHEMBL46788
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-8.29 -8.81 -9.20
Similarity Score:
31.58%
Best Match:
CHEMBL471839
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-9.23 -10.34
Similarity Score:
36.21%
Best Match:
CHEMBL474860
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-10.40 -10.13 -9.94
Similarity Score:
16.44%
Best Match:
CHEMBL39
Prediction Result:
Inactive90.28%

5HT5A_HUMAN

Docking Scores:
-8.31 -7.06 -7.89
Similarity Score:
27.69%
Best Match:
CHEMBL189262
Prediction Result:
Inactive67.73%

5HT6R_HUMAN

Docking Scores:
-8.06 -8.14 -9.19
Similarity Score:
32.14%
Best Match:
CHEMBL556759
Prediction Result:
Inactive55.99%

5HT7R_HUMAN

Docking Scores:
-8.49 -9.24 -8.35
Similarity Score:
51.22%
Best Match:
CHEMBL234885
Prediction Result:
Active70.86%

AA1R_HUMAN

Docking Scores:
-9.48 -9.05 -9.97
Similarity Score:
28.95%
Best Match:
CHEMBL3977929
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-10.34 -10.15 -10.46
Similarity Score:
28.95%
Best Match:
CHEMBL3977929
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-7.74 -8.84 -7.97
Similarity Score:
20.00%
Best Match:
CHEMBL376778
Prediction Result:
Inactive84.47%

AA3R_HUMAN

Docking Scores:
-9.91 -9.71 -9.42
Similarity Score:
27.27%
Best Match:
CHEMBL2312728
Prediction Result:
Active51.38%

ACM1_HUMAN

Docking Scores:
-10.15 -4.04
Similarity Score:
26.92%
Best Match:
CHEMBL1084850
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-9.35 -8.30 -10.41
Similarity Score:
25.00%
Best Match:
CHEMBL273586
Prediction Result:
Inactive62.82%

ACM3_HUMAN

Docking Scores:
-8.25 -9.30 -10.05
Similarity Score:
28.95%
Best Match:
CHEMBL1084851
Prediction Result:
Active59.04%

ACM4_HUMAN

Docking Scores:
-10.20 -9.95
Similarity Score:
24.19%
Best Match:
CHEMBL2377384
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-9.76 -9.90 -9.98
Similarity Score:
24.07%
Best Match:
CHEMBL657
Prediction Result:
Active55.82%

ACTHR_HUMAN

Docking Scores:
-10.24 -9.10 -9.11
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-8.66 -8.57 -8.64
Similarity Score:
23.08%
Best Match:
CHEMBL648
Prediction Result:
Inactive72.30%

ADA2A_HUMAN

Docking Scores:
-5.94 -7.30 -3.71
Similarity Score:
26.67%
Best Match:
CHEMBL61006
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-10.38 -10.24 -8.40
Similarity Score:
24.00%
Best Match:
CHEMBL972
Prediction Result:
Inactive65.79%

ADA2C_HUMAN

Docking Scores:
-2.56 -1.32 -1.65
Similarity Score:
22.22%
Best Match:
CHEMBL1437
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-9.53 -9.32 -9.86
Similarity Score:
28.57%
Best Match:
CHEMBL1621144
Prediction Result:
Active55.19%

ADRB2_HUMAN

Docking Scores:
-8.51 -8.70 -9.52
Similarity Score:
31.58%
Best Match:
CHEMBL4062049
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-9.93 -10.80 -9.68
Similarity Score:
27.63%
Best Match:
CHEMBL273028
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-9.71 -9.62 -9.68
Similarity Score:
16.81%
Best Match:
CHEMBL290286
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-9.07 -10.20 -9.97
Similarity Score:
17.65%
Best Match:
CHEMBL121565
Prediction Result:
Inactive80.29%

CALCR_HUMAN

Docking Scores:
-7.84 -7.88 -7.99
Similarity Score:
7.95%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive98.86%

CCKAR_HUMAN

Docking Scores:
-8.70 -8.72 -8.84
Similarity Score:
16.67%
Best Match:
CHEMBL1774034
Prediction Result:
Inactive90.69%

CCR1_HUMAN

Docking Scores:
-9.24 -6.98 -8.31
Similarity Score:
20.27%
Best Match:
CHEMBL2205805
Prediction Result:
Inactive86.64%

CCR2_HUMAN

Docking Scores:
-8.87 -7.92 -7.62
Similarity Score:
22.62%
Best Match:
CHEMBL3754334
Prediction Result:
Inactive80.47%

CCR4_HUMAN

Docking Scores:
-7.53 -8.07 -7.57
Similarity Score:
15.00%
Best Match:
CHEMBL1618631
Prediction Result:
Inactive81.74%

CCR5_HUMAN

Docking Scores:
-8.47 -8.83 -8.57
Similarity Score:
22.62%
Best Match:
CHEMBL106264
Prediction Result:
Inactive96.68%

CLTR1_HUMAN

Docking Scores:
-7.56 -8.51 -9.17
Similarity Score:
14.29%
Best Match:
CHEMBL33329
Prediction Result:
Inactive92.06%

CNR1_HUMAN

Docking Scores:
-9.36 -9.22 -10.60
Similarity Score:
39.62%
Best Match:
CHEMBL233182
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-9.46 -10.16
Similarity Score:
39.62%
Best Match:
CHEMBL233182
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-8.43
Similarity Score:
17.65%
Best Match:
CHEMBL191413
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-8.77 -6.75 -6.87
Similarity Score:
17.65%
Best Match:
CHEMBL191413
Prediction Result:
Inactive78.10%

CXCR3_HUMAN

Docking Scores:
-8.95 -8.93 -8.86
Similarity Score:
27.63%
Best Match:
CHEMBL2181464
Prediction Result:
Inactive91.52%

CXCR4_HUMAN

Docking Scores:
-8.61 -6.55 -7.79
Similarity Score:
22.22%
Best Match:
CHEMBL18442
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-9.01 -8.95 -8.75
Similarity Score:
26.58%
Best Match:
CHEMBL3325914
Prediction Result:
Inactive57.58%

DRD2_HUMAN

Docking Scores:
-8.63
Similarity Score:
26.09%
Best Match:
CHEMBL59
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-8.85
Similarity Score:
28.57%
Best Match:
CHEMBL484204
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-8.14 -8.25
Similarity Score:
27.63%
Best Match:
CHEMBL184551
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-10.04 -9.44 -8.09
Similarity Score:
24.07%
Best Match:
CHEMBL201525
Prediction Result:
Inactive51.62%

EDNRA_HUMAN

Docking Scores:
-7.23 -7.52 -7.41
Similarity Score:
20.88%
Best Match:
CHEMBL31662
Prediction Result:
Inactive76.00%

GABR1_HUMAN

Docking Scores:
-6.34 -7.25 -5.92
Similarity Score:
10.81%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive89.37%

GASR_HUMAN

Docking Scores:
-8.34 -7.73 -6.73
Similarity Score:
13.33%
Best Match:
CHEMBL38874
Prediction Result:
Inactive90.72%

GRM1_HUMAN

Docking Scores:
-8.08 -9.45 -8.77
Similarity Score:
19.57%
Best Match:
CHEMBL1269125
Prediction Result:
Inactive73.90%

GRM2_HUMAN

Docking Scores:
-5.05 -6.79 -4.71
Similarity Score:
23.86%
Best Match:
CHEMBL3974279
Prediction Result:
Inactive61.27%

GRM3_HUMAN

Docking Scores:
-7.13 -8.99 -9.02
Similarity Score:
20.31%
Best Match:
CHEMBL2112584
Prediction Result:
Inactive85.73%

GRM4_HUMAN

Docking Scores:
-6.13 -6.39 -6.42
Similarity Score:
18.10%
Best Match:
CHEMBL2023452
Prediction Result:
Inactive97.00%

GRM5_HUMAN

Docking Scores:
-7.17 -11.70 -11.29
Similarity Score:
24.00%
Best Match:
CHEMBL371811
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-8.33 -8.17 -7.46
Similarity Score:
18.75%
Best Match:
CHEMBL566136
Prediction Result:
Inactive97.34%

GRM7_HUMAN

Docking Scores:
-6.31 -5.78 -4.81
Similarity Score:
13.54%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.96%

GRM8_HUMAN

Docking Scores:
-3.24 -2.93 -5.36
Similarity Score:
17.57%
Best Match:
CHEMBL143210
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-10.54
Similarity Score:
28.89%
Best Match:
CHEMBL47482
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-9.26 -8.16 -7.63
Similarity Score:
23.86%
Best Match:
CHEMBL2207641
Prediction Result:
Active79.88%

HRH3_HUMAN

Docking Scores:
-8.22 -8.38 -8.35
Similarity Score:
50.00%
Best Match:
CHEMBL209478
Prediction Result:
Active83.76%

HRH4_HUMAN

Docking Scores:
-8.10 -8.56 -7.76
Similarity Score:
33.96%
Best Match:
CHEMBL1934049
Prediction Result:
Inactive65.07%

MC3R_HUMAN

Docking Scores:
-8.61 -8.24 -9.23
Similarity Score:
13.95%
Best Match:
CHEMBL460349
Prediction Result:
Inactive73.48%

MC4R_HUMAN

Docking Scores:
-7.34 -7.25 -7.22
Similarity Score:
29.58%
Best Match:
CHEMBL226023
Prediction Result:
Inactive91.75%

MC5R_HUMAN

Docking Scores:
-6.97 -8.71 -7.31
Similarity Score:
18.56%
Best Match:
CHEMBL3964883
Prediction Result:
Inactive66.09%

MSHR_HUMAN

Docking Scores:
-8.80 -9.26 -8.60
Similarity Score:
15.38%
Best Match:
CHEMBL267020
Prediction Result:
Inactive83.33%

NK1R_HUMAN

Docking Scores:
-9.24 -9.18 -8.86
Similarity Score:
37.50%
Best Match:
CHEMBL206490
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-9.03 -9.10 -9.13
Similarity Score:
20.00%
Best Match:
CHEMBL17157
Prediction Result:
Inactive91.15%

NPBW1_HUMAN

Docking Scores:
-7.93 -7.77 -7.35
Similarity Score:
14.50%
Best Match:
CHEMBL1991452
Prediction Result:
Inactive96.16%

NPFF1_HUMAN

Docking Scores:
-8.32 -7.89 -8.22
Similarity Score:
22.58%
Best Match:
CHEMBL573738
Prediction Result:
Inactive76.51%

NPSR1_HUMAN

Docking Scores:
-8.91 -9.37 -8.09
Similarity Score:
17.82%
Best Match:
CHEMBL1289780
Prediction Result:
Inactive68.70%

NPY1R_HUMAN

Docking Scores:
-9.49 -9.43 -8.52
Similarity Score:
19.67%
Best Match:
CHEMBL3559801
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-8.04 -8.04 -7.98
Similarity Score:
19.67%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive99.06%

NPY4R_HUMAN

Docking Scores:
-8.06 -8.45 -8.45
Similarity Score:
19.67%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive77.55%

NPY5R_HUMAN

Docking Scores:
-8.01 -7.95 -7.59
Similarity Score:
25.00%
Best Match:
CHEMBL327027
Prediction Result:
Inactive94.98%

OPRD_HUMAN

Docking Scores:
-8.34 -7.48 -7.58
Similarity Score:
22.11%
Best Match:
CHEMBL3809491
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-9.09 -9.38 -8.36
Similarity Score:
24.49%
Best Match:
CHEMBL1188090
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-8.92 -6.98 -8.01
Similarity Score:
24.49%
Best Match:
CHEMBL1188090
Prediction Result:
Inactive77.27%

OPRX_HUMAN

Docking Scores:
-8.36 -7.44 -7.37
Similarity Score:
23.33%
Best Match:
CHEMBL139816
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-8.88 -8.46 -8.40
Similarity Score:
21.57%
Best Match:
CHEMBL53584
Prediction Result:
Inactive80.85%

TAAR1_HUMAN

Docking Scores:
-9.91 -9.45 -9.20
Similarity Score:
37.14%
Best Match:
CHEMBL451372
Prediction Result:
Inactive69.97%

TSHR_HUMAN

Docking Scores:
-9.71 -9.44 -9.23
Similarity Score:
12.26%
Best Match:
CHEMBL3908443
Prediction Result:
Inactive97.50%

V1AR_HUMAN

Docking Scores:
-7.75 -7.88 -8.43
Similarity Score:
30.00%
Best Match:
CHEMBL1083095
Prediction Result:
Inactive92.31%

VIPR1_HUMAN

Docking Scores:
-8.26 -8.61 -8.71
Similarity Score:
16.18%
Best Match:
CHEMBL1784685
Prediction Result:
N/A