fEN #55 Output Download CSV

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

Docking Scores:
-8.85 -8.09 -8.26
Similarity Score:
69.66%
Best Match:
CHEMBL3321796
Prediction Result:
Active90.36%

5HT1B_HUMAN

Docking Scores:
-8.36 -8.48 -9.08
Similarity Score:
60.00%
Best Match:
CHEMBL361061
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-8.35 -7.88 -8.10
Similarity Score:
60.00%
Best Match:
CHEMBL361061
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-7.70 -8.57 -8.93
Similarity Score:
40.91%
Best Match:
CHEMBL105261
Prediction Result:
Active57.75%

5HT1F_HUMAN

Docking Scores:
-9.11 -8.87 -9.18
Similarity Score:
60.00%
Best Match:
CHEMBL361061
Prediction Result:
Active95.63%

5HT2A_HUMAN

Docking Scores:
-9.08 -8.90
Similarity Score:
57.69%
Best Match:
CHEMBL352194
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-8.81 -9.10 -9.38
Similarity Score:
56.67%
Best Match:
CHEMBL3919861
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-8.49 -9.12
Similarity Score:
57.69%
Best Match:
CHEMBL352194
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-8.88 -9.25 -8.54
Similarity Score:
44.20%
Best Match:
CHEMBL2179582
Prediction Result:
Inactive52.88%

5HT5A_HUMAN

Docking Scores:
-9.07 -7.18 -7.29
Similarity Score:
48.28%
Best Match:
CHEMBL189262
Prediction Result:
Inactive59.15%

5HT6R_HUMAN

Docking Scores:
-8.97 -8.53 -8.95
Similarity Score:
65.93%
Best Match:
CHEMBL3260790
Prediction Result:
Active97.44%

5HT7R_HUMAN

Docking Scores:
-8.48 -8.56 -8.39
Similarity Score:
70.45%
Best Match:
CHEMBL3321797
Prediction Result:
Active97.35%

AA1R_HUMAN

Docking Scores:
-8.66 -8.83 -7.66
Similarity Score:
36.02%
Best Match:
CHEMBL1095812
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-7.45 -8.09 -8.77
Similarity Score:
47.29%
Best Match:
CHEMBL539454
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-9.21 -8.82 -8.53
Similarity Score:
34.19%
Best Match:
CHEMBL32447
Prediction Result:
Inactive58.86%

AA3R_HUMAN

Docking Scores:
-5.86 -6.86 -8.54
Similarity Score:
45.05%
Best Match:
CHEMBL11
Prediction Result:
Active63.75%

ACM1_HUMAN

Docking Scores:
-8.03 -2.80
Similarity Score:
73.91%
Best Match:
CHEMBL1243110
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-8.57 -8.13 -8.73
Similarity Score:
82.93%
Best Match:
CHEMBL86309
Prediction Result:
Active97.99%

ACM3_HUMAN

Docking Scores:
-9.17 -9.79 -9.57
Similarity Score:
82.93%
Best Match:
CHEMBL86309
Prediction Result:
Active98.73%

ACM4_HUMAN

Docking Scores:
-8.29 -7.78
Similarity Score:
68.48%
Best Match:
CHEMBL3354065
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-9.51 -9.27 -8.86
Similarity Score:
68.48%
Best Match:
CHEMBL3354078
Prediction Result:
Active65.06%

ACTHR_HUMAN

Docking Scores:
-10.41 -10.45 -8.96
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-8.28 -8.31 -8.28
Similarity Score:
68.48%
Best Match:
CHEMBL4072818
Prediction Result:
Active90.44%

ADA2A_HUMAN

Docking Scores:
-7.23 -8.09 -0.87
Similarity Score:
42.16%
Best Match:
CHEMBL395110
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-8.84 -8.88 -8.19
Similarity Score:
52.88%
Best Match:
CHEMBL279516
Prediction Result:
Active81.79%

ADA2C_HUMAN

Docking Scores:
-4.13 -2.80 -0.40
Similarity Score:
52.88%
Best Match:
CHEMBL279516
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-8.93 -8.96 -8.73
Similarity Score:
56.88%
Best Match:
CHEMBL421030
Prediction Result:
Active81.00%

ADRB2_HUMAN

Docking Scores:
-7.73 -8.30 -9.28
Similarity Score:
54.72%
Best Match:
CHEMBL1306990
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-9.12 -8.57 -8.32
Similarity Score:
56.88%
Best Match:
CHEMBL421030
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-9.61 -9.85 -9.62
Similarity Score:
36.50%
Best Match:
CHEMBL268815
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-9.21 -9.23 -8.98
Similarity Score:
51.02%
Best Match:
CHEMBL109123
Prediction Result:
Active65.15%

CALCR_HUMAN

Docking Scores:
-7.86 -8.23 -9.03
Similarity Score:
32.28%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive97.39%

CCKAR_HUMAN

Docking Scores:
-8.49 -8.06 -9.08
Similarity Score:
48.00%
Best Match:
CHEMBL105619
Prediction Result:
Inactive76.91%

CCR1_HUMAN

Docking Scores:
-8.00 -7.83 -7.94
Similarity Score:
64.56%
Best Match:
CHEMBL33761
Prediction Result:
Active65.65%

CCR2_HUMAN

Docking Scores:
-7.62 -7.89 -7.73
Similarity Score:
55.66%
Best Match:
CHEMBL2036755
Prediction Result:
Active54.61%

CCR4_HUMAN

Docking Scores:
-7.46 -7.24 -8.91
Similarity Score:
42.22%
Best Match:
CHEMBL395680
Prediction Result:
Inactive58.24%

CCR5_HUMAN

Docking Scores:
-8.01 -8.25 -8.72
Similarity Score:
78.16%
Best Match:
CHEMBL3104691
Prediction Result:
Active81.47%

CLTR1_HUMAN

Docking Scores:
-8.20 -9.18 -9.62
Similarity Score:
38.58%
Best Match:
CHEMBL129866
Prediction Result:
Inactive83.15%

CNR1_HUMAN

Docking Scores:
-8.98 -9.23 -9.76
Similarity Score:
55.95%
Best Match:
CHEMBL479095
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-9.18 -9.97
Similarity Score:
70.11%
Best Match:
CHEMBL2338188
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-5.19
Similarity Score:
31.10%
Best Match:
CHEMBL561812
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-8.39 -7.15 -7.38
Similarity Score:
33.87%
Best Match:
CHEMBL392181
Prediction Result:
Inactive70.74%

CXCR3_HUMAN

Docking Scores:
-8.35 -9.08 -8.36
Similarity Score:
54.55%
Best Match:
CHEMBL252503
Prediction Result:
Inactive65.13%

CXCR4_HUMAN

Docking Scores:
-7.98 -6.61 -7.56
Similarity Score:
41.88%
Best Match:
CHEMBL2371850
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-8.59 -8.19 -8.69
Similarity Score:
50.00%
Best Match:
CHEMBL476108
Prediction Result:
Active68.59%

DRD2_HUMAN

Docking Scores:
-7.60
Similarity Score:
70.79%
Best Match:
CHEMBL4091231
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-8.25
Similarity Score:
70.79%
Best Match:
CHEMBL4091231
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-8.89 -8.94
Similarity Score:
70.79%
Best Match:
CHEMBL4074104
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-8.29 -9.41 -8.16
Similarity Score:
52.25%
Best Match:
CHEMBL394080
Prediction Result:
Active82.89%

EDNRA_HUMAN

Docking Scores:
-7.71 -7.61 -7.60
Similarity Score:
38.19%
Best Match:
CHEMBL1793932
Prediction Result:
Active54.42%

GABR1_HUMAN

Docking Scores:
-4.61 -5.28 3.34
Similarity Score:
21.48%
Best Match:
CHEMBL392394
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-8.39 -8.17 -6.35
Similarity Score:
50.00%
Best Match:
CHEMBL331929
Prediction Result:
Inactive61.79%

GRM1_HUMAN

Docking Scores:
-8.89 -9.87 -7.87
Similarity Score:
61.11%
Best Match:
CHEMBL2418383
Prediction Result:
Active71.16%

GRM2_HUMAN

Docking Scores:
-5.34 -4.15 -5.71
Similarity Score:
45.92%
Best Match:
CHEMBL3221831
Prediction Result:
Inactive99.99%

GRM3_HUMAN

Docking Scores:
-6.22 -7.46 -7.33
Similarity Score:
34.82%
Best Match:
CHEMBL4095995
Prediction Result:
Inactive85.17%

GRM4_HUMAN

Docking Scores:
-0.71 -0.77 -1.35
Similarity Score:
43.62%
Best Match:
CHEMBL578358
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-8.50 -6.98 -7.52
Similarity Score:
47.52%
Best Match:
CHEMBL2338572
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-5.95 -8.90 -6.14
Similarity Score:
41.67%
Best Match:
CHEMBL2418359
Prediction Result:
Inactive96.28%

GRM7_HUMAN

Docking Scores:
-4.32 -2.31 -3.24
Similarity Score:
30.14%
Best Match:
CHEMBL3559748
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
-3.84 -1.22 -2.73
Similarity Score:
41.67%
Best Match:
CHEMBL2418359
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-8.53
Similarity Score:
61.82%
Best Match:
CHEMBL1242923
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-9.61 -9.49 -9.57
Similarity Score:
40.57%
Best Match:
CHEMBL1627
Prediction Result:
Active98.79%

HRH3_HUMAN

Docking Scores:
-7.81 -8.35 -8.00
Similarity Score:
65.91%
Best Match:
CHEMBL3949244
Prediction Result:
Active91.70%

HRH4_HUMAN

Docking Scores:
-7.79 -8.01 -8.15
Similarity Score:
43.69%
Best Match:
CHEMBL4084275
Prediction Result:
Active63.23%

MC3R_HUMAN

Docking Scores:
-8.28 -7.96 -8.11
Similarity Score:
46.97%
Best Match:
CHEMBL1089104
Prediction Result:
Inactive54.75%

MC4R_HUMAN

Docking Scores:
-7.16 -6.94 -6.98
Similarity Score:
54.70%
Best Match:
CHEMBL379051
Prediction Result:
Inactive62.01%

MC5R_HUMAN

Docking Scores:
-5.83 -8.10 -4.84
Similarity Score:
51.64%
Best Match:
CHEMBL3951865
Prediction Result:
Inactive58.07%

MSHR_HUMAN

Docking Scores:
-8.43 -8.34 -8.68
Similarity Score:
44.64%
Best Match:
CHEMBL1091631
Prediction Result:
Inactive62.32%

NK1R_HUMAN

Docking Scores:
-8.76 -8.19 -7.69
Similarity Score:
63.92%
Best Match:
CHEMBL89245
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-8.78 -8.83 -8.61
Similarity Score:
50.82%
Best Match:
CHEMBL108997
Prediction Result:
Inactive87.51%

NPBW1_HUMAN

Docking Scores:
-7.84 -7.84 -7.86
Similarity Score:
32.11%
Best Match:
CHEMBL1968640
Prediction Result:
Inactive92.36%

NPFF1_HUMAN

Docking Scores:
-8.01 -7.75 -7.81
Similarity Score:
51.89%
Best Match:
CHEMBL3361410
Prediction Result:
Inactive63.71%

NPSR1_HUMAN

Docking Scores:
-8.62 -9.36 -8.70
Similarity Score:
43.48%
Best Match:
CHEMBL1289780
Prediction Result:
Active51.69%

NPY1R_HUMAN

Docking Scores:
-9.83 -9.08 -8.62
Similarity Score:
45.10%
Best Match:
CHEMBL564810
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-7.84 -8.36 -7.63
Similarity Score:
73.03%
Best Match:
CHEMBL1288048
Prediction Result:
Active84.04%

NPY4R_HUMAN

Docking Scores:
-7.88 -8.57 -7.95
Similarity Score:
40.65%
Best Match:
CHEMBL2110365
Prediction Result:
Inactive70.68%

NPY5R_HUMAN

Docking Scores:
-8.78 -7.76 -7.49
Similarity Score:
59.81%
Best Match:
CHEMBL2013017
Prediction Result:
Active90.90%

OPRD_HUMAN

Docking Scores:
-8.18 -7.13 -7.16
Similarity Score:
100.00%
Best Match:
CHEMBL12391
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-9.67 -8.24 -8.53
Similarity Score:
100.00%
Best Match:
CHEMBL12391
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-9.55 -7.10 -7.72
Similarity Score:
100.00%
Best Match:
CHEMBL12391
Prediction Result:
Active99.99%

OPRX_HUMAN

Docking Scores:
-7.55 -7.44 -7.63
Similarity Score:
80.00%
Best Match:
CHEMBL317152
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-8.40 -7.89 -8.00
Similarity Score:
37.50%
Best Match:
CHEMBL52821
Prediction Result:
Active53.78%

TAAR1_HUMAN

Docking Scores:
-8.92 -9.70 -9.02
Similarity Score:
65.98%
Best Match:
CHEMBL1337758
Prediction Result:
Active50.66%

TSHR_HUMAN

Docking Scores:
-9.58 -9.77 -9.62
Similarity Score:
50.00%
Best Match:
CHEMBL3908443
Prediction Result:
Inactive81.62%

V1AR_HUMAN

Docking Scores:
-8.01 -7.66 -8.61
Similarity Score:
50.00%
Best Match:
CHEMBL1807258
Prediction Result:
Inactive66.35%

VIPR1_HUMAN

Docking Scores:
-8.36 -8.69 -8.21
Similarity Score:
31.43%
Best Match:
CHEMBL3884667
Prediction Result:
N/A