test123 #177 Output Download CSV

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

Docking Scores:
-8.85 -6.25 -4.72
Similarity Score:
31.41%
Best Match:
CHEMBL93186
Prediction Result:
Inactive81.08%

5HT1B_HUMAN

Docking Scores:
-8.48 -8.35 -8.57
Similarity Score:
29.41%
Best Match:
CHEMBL82488
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-9.15 -8.33 -9.11
Similarity Score:
29.41%
Best Match:
CHEMBL82488
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-9.14 -7.19 -7.90
Similarity Score:
17.76%
Best Match:
CHEMBL103479
Prediction Result:
Inactive77.65%

5HT1F_HUMAN

Docking Scores:
-10.03 -10.90 -8.86
Similarity Score:
24.34%
Best Match:
CHEMBL177258
Prediction Result:
Inactive70.32%

5HT2A_HUMAN

Docking Scores:
-10.77 -2.90
Similarity Score:
42.59%
Best Match:
CHEMBL3676853
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-10.25 -9.35 -7.42
Similarity Score:
35.88%
Best Match:
CHEMBL1909065
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-8.82 -7.89
Similarity Score:
35.88%
Best Match:
CHEMBL1909065
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-7.78 -7.71 -7.53
Similarity Score:
27.01%
Best Match:
CHEMBL198226
Prediction Result:
Inactive72.37%

5HT5A_HUMAN

Docking Scores:
-7.19 -8.68 -9.33
Similarity Score:
23.49%
Best Match:
CHEMBL161507
Prediction Result:
Active64.19%

5HT6R_HUMAN

Docking Scores:
-8.13 -9.00 -7.51
Similarity Score:
35.88%
Best Match:
CHEMBL1909065
Prediction Result:
Active52.84%

5HT7R_HUMAN

Docking Scores:
-10.54 -10.05 -8.99
Similarity Score:
36.42%
Best Match:
CHEMBL487192
Prediction Result:
Active52.87%

AA1R_HUMAN

Docking Scores:
-9.44 -11.43 2.91
Similarity Score:
30.89%
Best Match:
CHEMBL146549
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-5.83 -7.41 -5.53
Similarity Score:
26.32%
Best Match:
CHEMBL1950653
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-9.63 -8.47 -9.77
Similarity Score:
30.22%
Best Match:
CHEMBL4072891
Prediction Result:
Inactive66.17%

AA3R_HUMAN

Docking Scores:
5.24 14.36 1.19
Similarity Score:
29.51%
Best Match:
CHEMBL1200633
Prediction Result:
Inactive99.99%

ACM1_HUMAN

Docking Scores:
1.91 35.14
Similarity Score:
38.30%
Best Match:
CHEMBL74736
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-8.38 -9.01 1.70
Similarity Score:
38.30%
Best Match:
CHEMBL74736
Prediction Result:
Inactive99.99%

ACM3_HUMAN

Docking Scores:
-9.67 -7.10 -8.71
Similarity Score:
37.01%
Best Match:
CHEMBL1201335
Prediction Result:
Active52.23%

ACM4_HUMAN

Docking Scores:
-2.17 -6.27
Similarity Score:
36.88%
Best Match:
CHEMBL2377269
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-6.00 -7.63 -6.82
Similarity Score:
36.77%
Best Match:
CHEMBL1201027
Prediction Result:
Active73.03%

ACTHR_HUMAN

Docking Scores:
-8.87 -10.11 -7.49
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-8.53 -8.79 -8.18
Similarity Score:
35.88%
Best Match:
CHEMBL1909065
Prediction Result:
Inactive56.27%

ADA2A_HUMAN

Docking Scores:
22.32 17.70 27.01
Similarity Score:
35.88%
Best Match:
CHEMBL1909065
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-7.26 12.17 6.59
Similarity Score:
35.88%
Best Match:
CHEMBL1909065
Prediction Result:
Inactive99.99%

ADA2C_HUMAN

Docking Scores:
26.40 31.33 32.61
Similarity Score:
35.88%
Best Match:
CHEMBL1909065
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-9.92 -8.46 -9.75
Similarity Score:
32.05%
Best Match:
CHEMBL1085395
Prediction Result:
Inactive55.57%

ADRB2_HUMAN

Docking Scores:
-6.35 -7.47 -8.27
Similarity Score:
33.70%
Best Match:
CHEMBL1431082
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-10.15 -7.97 -10.34
Similarity Score:
32.05%
Best Match:
CHEMBL1085395
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-10.02 -10.18 -9.43
Similarity Score:
22.17%
Best Match:
CHEMBL214592
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-7.75 -7.83 -9.33
Similarity Score:
18.81%
Best Match:
CHEMBL2372276
Prediction Result:
Inactive88.26%

CALCR_HUMAN

Docking Scores:
-8.86 -9.89 -9.93
Similarity Score:
20.31%
Best Match:
CHEMBL2369886
Prediction Result:
Inactive97.66%

CCKAR_HUMAN

Docking Scores:
-9.79 -9.66 -9.54
Similarity Score:
21.96%
Best Match:
CHEMBL168182
Prediction Result:
Inactive59.43%

CCR1_HUMAN

Docking Scores:
-9.76 -9.44 -8.04
Similarity Score:
27.32%
Best Match:
CHEMBL69659
Prediction Result:
Inactive74.72%

CCR2_HUMAN

Docking Scores:
-9.85 -9.21 -8.84
Similarity Score:
31.03%
Best Match:
CHEMBL3263259
Prediction Result:
Inactive64.96%

CCR4_HUMAN

Docking Scores:
-7.66 -7.18 -7.46
Similarity Score:
20.66%
Best Match:
CHEMBL64391
Prediction Result:
Inactive78.47%

CCR5_HUMAN

Docking Scores:
-10.09 -9.56 -9.85
Similarity Score:
34.12%
Best Match:
CHEMBL504250
Prediction Result:
Inactive53.53%

CLTR1_HUMAN

Docking Scores:
-8.99 -10.50 -9.99
Similarity Score:
25.60%
Best Match:
CHEMBL3401686
Prediction Result:
Inactive77.94%

CNR1_HUMAN

Docking Scores:
-7.07 -7.46 -6.90
Similarity Score:
32.67%
Best Match:
CHEMBL1923760
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-7.28 -10.84
Similarity Score:
36.30%
Best Match:
CHEMBL1923778
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
15.23
Similarity Score:
25.10%
Best Match:
CHEMBL246733
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-8.68 -9.32 -9.56
Similarity Score:
25.10%
Best Match:
CHEMBL246733
Prediction Result:
Inactive64.01%

CXCR3_HUMAN

Docking Scores:
-10.97 -10.21 -10.77
Similarity Score:
27.46%
Best Match:
CHEMBL3956593
Prediction Result:
Inactive55.59%

CXCR4_HUMAN

Docking Scores:
-10.43 -8.39 -9.71
Similarity Score:
24.68%
Best Match:
CHEMBL3923006
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-8.08 -8.94 -10.50
Similarity Score:
29.24%
Best Match:
CHEMBL291143
Prediction Result:
Inactive56.69%

DRD2_HUMAN

Docking Scores:
-9.57
Similarity Score:
42.59%
Best Match:
CHEMBL3676853
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-9.69
Similarity Score:
42.59%
Best Match:
CHEMBL3676853
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-6.40 -5.95
Similarity Score:
32.74%
Best Match:
CHEMBL3318835
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-4.35 -6.35 4.43
Similarity Score:
21.40%
Best Match:
CHEMBL1258223
Prediction Result:
Inactive99.99%

EDNRA_HUMAN

Docking Scores:
-9.51 -9.33 -9.33
Similarity Score:
35.71%
Best Match:
CHEMBL103190
Prediction Result:
Inactive60.81%

GABR1_HUMAN

Docking Scores:
28.02 25.02 40.22
Similarity Score:
15.34%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-9.64 -8.20 -8.54
Similarity Score:
26.15%
Best Match:
CHEMBL103276
Prediction Result:
Inactive66.27%

GRM1_HUMAN

Docking Scores:
-8.50 -5.60 8.40
Similarity Score:
36.03%
Best Match:
CHEMBL254372
Prediction Result:
Inactive99.99%

GRM2_HUMAN

Docking Scores:
34.56 30.43 33.31
Similarity Score:
42.03%
Best Match:
CHEMBL3955458
Prediction Result:
Inactive99.99%

GRM3_HUMAN

Docking Scores:
18.12 20.08 13.08
Similarity Score:
42.03%
Best Match:
CHEMBL3955458
Prediction Result:
Inactive99.99%

GRM4_HUMAN

Docking Scores:
28.17 34.86 27.65
Similarity Score:
20.42%
Best Match:
CHEMBL2063423
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
15.58 24.47 20.25
Similarity Score:
24.54%
Best Match:
CHEMBL92162
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
12.85 13.37 7.83
Similarity Score:
32.33%
Best Match:
CHEMBL275079
Prediction Result:
Inactive99.99%

GRM7_HUMAN

Docking Scores:
24.49 27.63 26.50
Similarity Score:
26.71%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
19.82 25.30 26.02
Similarity Score:
26.71%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
16.73
Similarity Score:
27.93%
Best Match:
CHEMBL328356
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-9.92 -9.29 -9.57
Similarity Score:
25.97%
Best Match:
CHEMBL422931
Prediction Result:
Active86.07%

HRH3_HUMAN

Docking Scores:
-7.12 -7.93 -9.85
Similarity Score:
32.73%
Best Match:
CHEMBL514217
Prediction Result:
Inactive61.61%

HRH4_HUMAN

Docking Scores:
-7.99 -7.39 -9.49
Similarity Score:
30.12%
Best Match:
CHEMBL105803
Prediction Result:
Inactive50.36%

MC3R_HUMAN

Docking Scores:
-8.41 -8.61 -7.37
Similarity Score:
26.24%
Best Match:
CHEMBL380437
Prediction Result:
Inactive74.16%

MC4R_HUMAN

Docking Scores:
-8.87 -8.75 -8.98
Similarity Score:
26.24%
Best Match:
CHEMBL380437
Prediction Result:
Inactive79.00%

MC5R_HUMAN

Docking Scores:
-5.34 -6.18 -0.31
Similarity Score:
26.56%
Best Match:
CHEMBL1221512
Prediction Result:
Inactive99.99%

MSHR_HUMAN

Docking Scores:
-7.72 -6.66 -9.87
Similarity Score:
26.24%
Best Match:
CHEMBL380437
Prediction Result:
Active60.61%

NK1R_HUMAN

Docking Scores:
-11.03 -9.02 -9.57
Similarity Score:
41.96%
Best Match:
CHEMBL378984
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-10.62 -10.42 -10.70
Similarity Score:
36.36%
Best Match:
CHEMBL3545252
Prediction Result:
Active67.07%

NPBW1_HUMAN

Docking Scores:
-9.42 -10.50 -10.60
Similarity Score:
21.61%
Best Match:
CHEMBL1968661
Prediction Result:
Inactive59.44%

NPFF1_HUMAN

Docking Scores:
-10.33 -9.86 -10.03
Similarity Score:
18.18%
Best Match:
CHEMBL1672379
Prediction Result:
Inactive61.76%

NPSR1_HUMAN

Docking Scores:
-10.43 -9.52 -6.27
Similarity Score:
22.45%
Best Match:
CHEMBL1800088
Prediction Result:
Active57.01%

NPY1R_HUMAN

Docking Scores:
-11.45 -10.91 -10.52
Similarity Score:
27.88%
Best Match:
CHEMBL1223993
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-10.59 -9.75 -10.06
Similarity Score:
24.90%
Best Match:
CHEMBL3099726
Prediction Result:
Inactive77.12%

NPY4R_HUMAN

Docking Scores:
-11.12 -11.14 -9.12
Similarity Score:
24.60%
Best Match:
CHEMBL3099721
Prediction Result:
Inactive98.44%

NPY5R_HUMAN

Docking Scores:
-9.14 -9.44 -8.92
Similarity Score:
30.11%
Best Match:
CHEMBL570633
Prediction Result:
Inactive66.15%

OPRD_HUMAN

Docking Scores:
-9.32 -9.03 -9.42
Similarity Score:
66.20%
Best Match:
CHEMBL3330670
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-12.37 -9.61 -8.69
Similarity Score:
86.32%
Best Match:
CHEMBL2381586
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-10.17 -9.06 -8.64
Similarity Score:
80.34%
Best Match:
CHEMBL498116
Prediction Result:
Active98.47%

OPRX_HUMAN

Docking Scores:
-8.97 -8.95 -9.43
Similarity Score:
39.80%
Best Match:
CHEMBL3581762
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-9.20 -8.90 -8.88
Similarity Score:
46.48%
Best Match:
CHEMBL2304167
Prediction Result:
Active65.99%

TAAR1_HUMAN

Docking Scores:
-3.71 -9.35 -8.78
Similarity Score:
26.46%
Best Match:
CHEMBL1420390
Prediction Result:
Inactive99.99%

TSHR_HUMAN

Docking Scores:
-12.77 -12.63 -12.04
Similarity Score:
20.21%
Best Match:
CHEMBL3945037
Prediction Result:
Active53.80%

V1AR_HUMAN

Docking Scores:
-8.78 -9.45 -9.13
Similarity Score:
25.10%
Best Match:
CHEMBL389581
Prediction Result:
Inactive79.26%

VIPR1_HUMAN

Docking Scores:
-10.83 -10.53 -10.59
Similarity Score:
18.22%
Best Match:
CHEMBL3884667
Prediction Result:
N/A