test1 #67 Output Download CSV

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

Docking Scores:
-8.22 -8.30 -7.93
Similarity Score:
40.13%
Best Match:
CHEMBL252258
Prediction Result:
Active53.51%

5HT1B_HUMAN

Docking Scores:
-8.73 -8.80 -8.03
Similarity Score:
30.26%
Best Match:
CHEMBL2113350
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-8.80 -7.71 -9.01
Similarity Score:
32.04%
Best Match:
CHEMBL343755
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-8.38 -9.14 -8.56
Similarity Score:
32.04%
Best Match:
CHEMBL343755
Prediction Result:
Inactive64.89%

5HT1F_HUMAN

Docking Scores:
-8.52 -8.52 -8.48
Similarity Score:
21.71%
Best Match:
CHEMBL432713
Prediction Result:
Inactive68.92%

5HT2A_HUMAN

Docking Scores:
-9.87 -9.14
Similarity Score:
38.57%
Best Match:
CHEMBL1277935
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-8.95 -8.70 -9.15
Similarity Score:
33.51%
Best Match:
CHEMBL1065
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-8.45 -8.92
Similarity Score:
38.57%
Best Match:
CHEMBL1277935
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-9.07 -8.66 -8.34
Similarity Score:
31.45%
Best Match:
CHEMBL3759546
Prediction Result:
Inactive74.11%

5HT5A_HUMAN

Docking Scores:
-8.90 -6.92 -7.46
Similarity Score:
34.81%
Best Match:
CHEMBL97518
Prediction Result:
Inactive61.86%

5HT6R_HUMAN

Docking Scores:
-7.70 -8.12 -8.18
Similarity Score:
34.81%
Best Match:
CHEMBL97518
Prediction Result:
Active64.65%

5HT7R_HUMAN

Docking Scores:
-8.18 -8.38 -8.35
Similarity Score:
37.76%
Best Match:
CHEMBL239897
Prediction Result:
Active50.74%

AA1R_HUMAN

Docking Scores:
-8.47 -8.16 -7.70
Similarity Score:
29.73%
Best Match:
CHEMBL329774
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-7.70 -8.14 -8.78
Similarity Score:
30.22%
Best Match:
CHEMBL2153614
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-8.59 -8.62 -8.06
Similarity Score:
24.74%
Best Match:
CHEMBL440115
Prediction Result:
Inactive76.88%

AA3R_HUMAN

Docking Scores:
-6.54 -3.12 -7.35
Similarity Score:
39.81%
Best Match:
CHEMBL275040
Prediction Result:
Inactive99.99%

ACM1_HUMAN

Docking Scores:
-6.61 5.77
Similarity Score:
53.21%
Best Match:
CHEMBL301670
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-8.64 -8.23 -6.32
Similarity Score:
53.21%
Best Match:
CHEMBL301670
Prediction Result:
Active63.08%

ACM3_HUMAN

Docking Scores:
-8.70 -8.79 -9.62
Similarity Score:
53.21%
Best Match:
CHEMBL58824
Prediction Result:
Active74.16%

ACM4_HUMAN

Docking Scores:
-7.74 -7.60
Similarity Score:
53.21%
Best Match:
CHEMBL277642
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-7.91 -7.28 -8.61
Similarity Score:
53.21%
Best Match:
CHEMBL277642
Prediction Result:
Active79.59%

ACTHR_HUMAN

Docking Scores:
-9.29 -9.00 -8.43
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-8.59 -7.27 -8.77
Similarity Score:
34.01%
Best Match:
CHEMBL12127
Prediction Result:
Inactive63.94%

ADA2A_HUMAN

Docking Scores:
-0.65 0.31 2.55
Similarity Score:
41.49%
Best Match:
CHEMBL191703
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-9.39 -9.02 -8.65
Similarity Score:
33.33%
Best Match:
CHEMBL1201356
Prediction Result:
Active58.97%

ADA2C_HUMAN

Docking Scores:
2.30 5.02 6.08
Similarity Score:
47.57%
Best Match:
CHEMBL451821
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-9.01 -7.99 -9.01
Similarity Score:
32.61%
Best Match:
CHEMBL1085009
Prediction Result:
Inactive70.75%

ADRB2_HUMAN

Docking Scores:
-8.04 -7.65 -8.25
Similarity Score:
34.27%
Best Match:
CHEMBL1714856
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-9.18 -9.14 -9.12
Similarity Score:
29.14%
Best Match:
CHEMBL3746280
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-8.12 -7.61 -7.82
Similarity Score:
25.47%
Best Match:
CHEMBL3350599
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-8.29 -8.41 -7.82
Similarity Score:
31.90%
Best Match:
CHEMBL109172
Prediction Result:
Inactive85.78%

CALCR_HUMAN

Docking Scores:
-7.51 -7.83 -7.69
Similarity Score:
29.78%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive98.41%

CCKAR_HUMAN

Docking Scores:
-8.74 -7.51 -8.57
Similarity Score:
27.52%
Best Match:
CHEMBL206025
Prediction Result:
Inactive96.06%

CCR1_HUMAN

Docking Scores:
-7.90 -7.85 -8.00
Similarity Score:
38.89%
Best Match:
CHEMBL33277
Prediction Result:
Inactive85.23%

CCR2_HUMAN

Docking Scores:
-7.93 -7.21 -7.33
Similarity Score:
42.18%
Best Match:
CHEMBL1683054
Prediction Result:
Inactive84.36%

CCR4_HUMAN

Docking Scores:
-7.31 -7.03 -7.67
Similarity Score:
34.35%
Best Match:
CHEMBL1621896
Prediction Result:
Inactive70.02%

CCR5_HUMAN

Docking Scores:
-8.08 -7.43 -7.98
Similarity Score:
39.39%
Best Match:
CHEMBL1172157
Prediction Result:
Inactive98.60%

CLTR1_HUMAN

Docking Scores:
-7.96 -9.09 -9.29
Similarity Score:
31.82%
Best Match:
CHEMBL288943
Prediction Result:
Inactive84.77%

CNR1_HUMAN

Docking Scores:
-7.03 -8.88 -7.93
Similarity Score:
55.32%
Best Match:
CHEMBL472661
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-9.25 -9.46
Similarity Score:
55.32%
Best Match:
CHEMBL472661
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-1.65
Similarity Score:
24.04%
Best Match:
CHEMBL556862
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-8.65 -7.37 -7.28
Similarity Score:
27.92%
Best Match:
CHEMBL3645131
Prediction Result:
Inactive68.70%

CXCR3_HUMAN

Docking Scores:
-8.63 -8.65 -8.36
Similarity Score:
45.89%
Best Match:
CHEMBL253247
Prediction Result:
Inactive84.77%

CXCR4_HUMAN

Docking Scores:
-8.05 -7.15 -7.51
Similarity Score:
36.97%
Best Match:
CHEMBL2029611
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-9.24 -8.13 -7.77
Similarity Score:
33.51%
Best Match:
CHEMBL1065
Prediction Result:
Inactive54.86%

DRD2_HUMAN

Docking Scores:
-7.66
Similarity Score:
35.61%
Best Match:
CHEMBL335545
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-8.17
Similarity Score:
35.61%
Best Match:
CHEMBL335545
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-8.55 -8.75
Similarity Score:
35.61%
Best Match:
CHEMBL335545
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-9.40 -9.22 -8.71
Similarity Score:
32.04%
Best Match:
CHEMBL343755
Prediction Result:
Active54.34%

EDNRA_HUMAN

Docking Scores:
-7.34 -7.11 -7.01
Similarity Score:
31.95%
Best Match:
CHEMBL323951
Prediction Result:
Inactive59.87%

GABR1_HUMAN

Docking Scores:
0.59 -1.66 16.62
Similarity Score:
15.06%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-8.00 -6.98 -6.32
Similarity Score:
34.87%
Best Match:
CHEMBL433621
Prediction Result:
Inactive80.72%

GRM1_HUMAN

Docking Scores:
-7.83 -9.67 -8.08
Similarity Score:
36.19%
Best Match:
CHEMBL1270719
Prediction Result:
Inactive64.38%

GRM2_HUMAN

Docking Scores:
-3.33 -1.76 -2.02
Similarity Score:
39.62%
Best Match:
CHEMBL2381649
Prediction Result:
Inactive99.99%

GRM3_HUMAN

Docking Scores:
-3.89 -4.48 -6.39
Similarity Score:
39.62%
Best Match:
CHEMBL2381649
Prediction Result:
Inactive99.99%

GRM4_HUMAN

Docking Scores:
1.69 -0.39 0.89
Similarity Score:
25.99%
Best Match:
CHEMBL1921962
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-5.04 -3.55 -5.84
Similarity Score:
33.33%
Best Match:
CHEMBL1783985
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-2.79 -2.65 -0.31
Similarity Score:
39.62%
Best Match:
CHEMBL2381649
Prediction Result:
Inactive99.99%

GRM7_HUMAN

Docking Scores:
-0.98 0.94 1.47
Similarity Score:
15.69%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
-3.23 -0.67 3.93
Similarity Score:
23.24%
Best Match:
CHEMBL2418359
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-4.29
Similarity Score:
38.57%
Best Match:
CHEMBL1278021
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-9.01 -8.28 -8.98
Similarity Score:
24.06%
Best Match:
CHEMBL588119
Prediction Result:
Active80.37%

HRH3_HUMAN

Docking Scores:
-7.41 -8.77 -8.55
Similarity Score:
51.04%
Best Match:
CHEMBL455644
Prediction Result:
Active68.22%

HRH4_HUMAN

Docking Scores:
-8.21 -8.44 -8.30
Similarity Score:
29.93%
Best Match:
CHEMBL4083336
Prediction Result:
Inactive68.34%

MC3R_HUMAN

Docking Scores:
-7.63 -7.97 -7.54
Similarity Score:
43.24%
Best Match:
CHEMBL407135
Prediction Result:
Inactive62.79%

MC4R_HUMAN

Docking Scores:
-8.09 -6.69 -7.13
Similarity Score:
43.24%
Best Match:
CHEMBL407135
Prediction Result:
Inactive92.99%

MC5R_HUMAN

Docking Scores:
-6.74 -8.26 -5.93
Similarity Score:
43.24%
Best Match:
CHEMBL407135
Prediction Result:
Inactive63.10%

MSHR_HUMAN

Docking Scores:
-8.38 -7.47 -8.50
Similarity Score:
30.57%
Best Match:
CHEMBL379879
Prediction Result:
Inactive73.08%

NK1R_HUMAN

Docking Scores:
-8.01 -8.04 -7.95
Similarity Score:
40.54%
Best Match:
CHEMBL1090450
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-8.35 -8.94 -8.38
Similarity Score:
33.54%
Best Match:
CHEMBL394531
Prediction Result:
Inactive97.26%

NPBW1_HUMAN

Docking Scores:
-7.31 -8.16 -7.85
Similarity Score:
18.93%
Best Match:
CHEMBL1989982
Prediction Result:
Inactive96.18%

NPFF1_HUMAN

Docking Scores:
-7.61 -7.38 -8.03
Similarity Score:
28.50%
Best Match:
CHEMBL472833
Prediction Result:
Inactive84.34%

NPSR1_HUMAN

Docking Scores:
-8.75 -8.70 -8.65
Similarity Score:
28.22%
Best Match:
CHEMBL1210412
Prediction Result:
Inactive59.78%

NPY1R_HUMAN

Docking Scores:
-9.07 -9.48 -8.59
Similarity Score:
30.25%
Best Match:
CHEMBL2440194
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-7.61 -7.82 -7.34
Similarity Score:
39.06%
Best Match:
CHEMBL4089420
Prediction Result:
Inactive95.55%

NPY4R_HUMAN

Docking Scores:
-8.70 -8.08 -8.16
Similarity Score:
31.21%
Best Match:
CHEMBL2440119
Prediction Result:
Inactive60.86%

NPY5R_HUMAN

Docking Scores:
-8.57 -8.13 -7.55
Similarity Score:
27.54%
Best Match:
CHEMBL411117
Prediction Result:
Inactive87.50%

OPRD_HUMAN

Docking Scores:
-6.76 -6.99 -7.36
Similarity Score:
38.58%
Best Match:
CHEMBL401508
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-9.28 -8.28 -7.80
Similarity Score:
38.93%
Best Match:
CHEMBL144483
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-8.77 -7.18 -7.20
Similarity Score:
40.72%
Best Match:
CHEMBL362202
Prediction Result:
Inactive63.60%

OPRX_HUMAN

Docking Scores:
-7.68 -7.65 -8.08
Similarity Score:
38.03%
Best Match:
CHEMBL3665444
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-7.58 -7.45 -8.65
Similarity Score:
30.77%
Best Match:
CHEMBL300463
Prediction Result:
Inactive55.45%

TAAR1_HUMAN

Docking Scores:
-9.34 -9.47 -8.76
Similarity Score:
56.57%
Best Match:
CHEMBL1429767
Prediction Result:
Inactive68.33%

TSHR_HUMAN

Docking Scores:
-8.30 -9.00 -8.22
Similarity Score:
32.95%
Best Match:
CHEMBL3897841
Prediction Result:
Inactive96.33%

V1AR_HUMAN

Docking Scores:
-8.05 -8.39 -8.60
Similarity Score:
33.16%
Best Match:
CHEMBL397189
Prediction Result:
Inactive82.71%

VIPR1_HUMAN

Docking Scores:
-8.10 -8.18 -8.25
Similarity Score:
24.75%
Best Match:
CHEMBL3884667
Prediction Result:
N/A