Aspirin #3 Output Download CSV

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

Docking Scores:
-6.12 -6.18 -6.41
Similarity Score:
44.87%
Best Match:
CHEMBL1255003
Prediction Result:
Active59.89%

5HT1B_HUMAN

Docking Scores:
-5.93 -6.16 -6.49
Similarity Score:
43.48%
Best Match:
CHEMBL2112766
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-6.20 -6.31 -5.45
Similarity Score:
39.19%
Best Match:
CHEMBL140416
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-6.27 -6.92 -5.87
Similarity Score:
22.52%
Best Match:
CHEMBL2391541
Prediction Result:
Inactive55.80%

5HT1F_HUMAN

Docking Scores:
-5.85 -6.30 -6.24
Similarity Score:
26.32%
Best Match:
CHEMBL184994
Prediction Result:
Inactive79.34%

5HT2A_HUMAN

Docking Scores:
-6.45 -6.45
Similarity Score:
43.42%
Best Match:
CHEMBL272942
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-6.36 -6.53 -6.65
Similarity Score:
44.62%
Best Match:
CHEMBL558
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-6.40 -6.78
Similarity Score:
43.42%
Best Match:
CHEMBL272942
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-6.34 -6.44 -6.75
Similarity Score:
45.92%
Best Match:
CHEMBL287045
Prediction Result:
Active56.07%

5HT5A_HUMAN

Docking Scores:
-6.41 -6.16 -6.27
Similarity Score:
30.09%
Best Match:
CHEMBL363678
Prediction Result:
Inactive57.53%

5HT6R_HUMAN

Docking Scores:
-6.21 -6.21 -6.36
Similarity Score:
37.62%
Best Match:
CHEMBL631
Prediction Result:
Inactive69.63%

5HT7R_HUMAN

Docking Scores:
-6.32 -6.04 -5.98
Similarity Score:
42.47%
Best Match:
CHEMBL20666
Prediction Result:
Inactive54.77%

AA1R_HUMAN

Docking Scores:
-5.58 -5.62 -6.41
Similarity Score:
32.77%
Best Match:
CHEMBL2151131
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-5.99 -5.92 -6.00
Similarity Score:
32.79%
Best Match:
CHEMBL197359
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-6.54 -6.40 -5.85
Similarity Score:
39.82%
Best Match:
CHEMBL334325
Prediction Result:
Active62.47%

AA3R_HUMAN

Docking Scores:
-6.62 -6.49 -6.06
Similarity Score:
32.77%
Best Match:
CHEMBL2151131
Prediction Result:
Inactive52.82%

ACM1_HUMAN

Docking Scores:
-6.75 -6.89
Similarity Score:
40.26%
Best Match:
CHEMBL4102555
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-6.79 -6.18 -6.52
Similarity Score:
43.82%
Best Match:
CHEMBL1290634
Prediction Result:
Active51.25%

ACM3_HUMAN

Docking Scores:
-5.77 -6.94 -6.32
Similarity Score:
43.82%
Best Match:
CHEMBL1290634
Prediction Result:
Inactive60.35%

ACM4_HUMAN

Docking Scores:
-6.68 -6.42
Similarity Score:
37.18%
Best Match:
CHEMBL55
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-6.35 -6.36 -6.39
Similarity Score:
33.70%
Best Match:
CHEMBL41
Prediction Result:
Inactive64.96%

ACTHR_HUMAN

Docking Scores:
-6.96 -6.30 -6.16
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-6.07 -6.36 -5.88
Similarity Score:
44.87%
Best Match:
CHEMBL1255003
Prediction Result:
Active77.93%

ADA2A_HUMAN

Docking Scores:
-7.03 -7.00 -6.93
Similarity Score:
39.22%
Best Match:
CHEMBL1956201
Prediction Result:
Active78.69%

ADA2B_HUMAN

Docking Scores:
-6.86 -7.47 -6.97
Similarity Score:
39.22%
Best Match:
CHEMBL1956201
Prediction Result:
Active77.29%

ADA2C_HUMAN

Docking Scores:
-6.35 -6.47 -6.40
Similarity Score:
39.22%
Best Match:
CHEMBL1956201
Prediction Result:
Active70.27%

ADRB1_HUMAN

Docking Scores:
-6.53 -6.14 -6.38
Similarity Score:
52.17%
Best Match:
CHEMBL518168
Prediction Result:
Active67.72%

ADRB2_HUMAN

Docking Scores:
-6.71 -6.84 -6.72
Similarity Score:
46.59%
Best Match:
CHEMBL1704973
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-6.91 -7.33 -6.87
Similarity Score:
53.93%
Best Match:
CHEMBL271945
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-5.94 -6.11 -6.00
Similarity Score:
26.25%
Best Match:
CHEMBL158557
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-6.71 -6.75 -6.41
Similarity Score:
28.57%
Best Match:
CHEMBL1784685
Prediction Result:
Inactive85.19%

CALCR_HUMAN

Docking Scores:
-5.94 -5.23 -6.42
Similarity Score:
15.82%
Best Match:
CHEMBL2369897
Prediction Result:
Inactive52.72%

CCKAR_HUMAN

Docking Scores:
-5.69 -6.35 -5.91
Similarity Score:
28.57%
Best Match:
CHEMBL1784685
Prediction Result:
Inactive95.77%

CCR1_HUMAN

Docking Scores:
-5.93 -7.33 -5.89
Similarity Score:
41.03%
Best Match:
CHEMBL391301
Prediction Result:
Inactive98.29%

CCR2_HUMAN

Docking Scores:
-5.55 -5.81 -5.35
Similarity Score:
40.00%
Best Match:
CHEMBL1171788
Prediction Result:
Inactive94.49%

CCR4_HUMAN

Docking Scores:
-6.12 -5.61 -6.52
Similarity Score:
36.67%
Best Match:
CHEMBL1618631
Prediction Result:
Inactive79.31%

CCR5_HUMAN

Docking Scores:
-5.44 -5.59 -5.83
Similarity Score:
36.17%
Best Match:
CHEMBL234461
Prediction Result:
Inactive99.10%

CLTR1_HUMAN

Docking Scores:
-6.29 -6.77 -6.98
Similarity Score:
39.58%
Best Match:
CHEMBL127842
Prediction Result:
Inactive97.03%

CNR1_HUMAN

Docking Scores:
-5.65 -6.37 -6.45
Similarity Score:
47.83%
Best Match:
CHEMBL243334
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-6.25 -6.47
Similarity Score:
47.83%
Best Match:
CHEMBL243334
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-6.85
Similarity Score:
23.78%
Best Match:
CHEMBL464302
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-6.91 -5.70 -5.27
Similarity Score:
34.45%
Best Match:
CHEMBL3645131
Prediction Result:
Inactive60.62%

CXCR3_HUMAN

Docking Scores:
-6.17 -6.25 -6.13
Similarity Score:
32.80%
Best Match:
CHEMBL3952475
Prediction Result:
Inactive98.88%

CXCR4_HUMAN

Docking Scores:
-6.56 -5.81 -5.82
Similarity Score:
30.00%
Best Match:
CHEMBL126657
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-6.50 -6.45 -5.95
Similarity Score:
38.46%
Best Match:
CHEMBL186720
Prediction Result:
Inactive60.06%

DRD2_HUMAN

Docking Scores:
-5.97
Similarity Score:
40.26%
Best Match:
CHEMBL128313
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-6.08
Similarity Score:
39.24%
Best Match:
CHEMBL334545
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-7.02 -6.67
Similarity Score:
42.86%
Best Match:
CHEMBL59326
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-6.16 -7.04 -6.63
Similarity Score:
38.46%
Best Match:
CHEMBL186720
Prediction Result:
Inactive87.89%

EDNRA_HUMAN

Docking Scores:
-5.36 -5.71 -5.35
Similarity Score:
30.37%
Best Match:
CHEMBL46311
Prediction Result:
Inactive95.45%

GABR1_HUMAN

Docking Scores:
-6.37 -6.78 -6.75
Similarity Score:
14.07%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive91.22%

GASR_HUMAN

Docking Scores:
-6.03 -6.43 -5.76
Similarity Score:
24.14%
Best Match:
CHEMBL294542
Prediction Result:
Inactive94.44%

GRM1_HUMAN

Docking Scores:
-6.72 -6.87 -6.56
Similarity Score:
29.75%
Best Match:
CHEMBL369459
Prediction Result:
Inactive79.05%

GRM2_HUMAN

Docking Scores:
-7.16 -7.16 -7.43
Similarity Score:
39.81%
Best Match:
CHEMBL3892611
Prediction Result:
Inactive59.83%

GRM3_HUMAN

Docking Scores:
-7.54 -8.08 -7.66
Similarity Score:
30.77%
Best Match:
CHEMBL4099470
Prediction Result:
Inactive69.22%

GRM4_HUMAN

Docking Scores:
-5.34 -5.74 -5.37
Similarity Score:
29.66%
Best Match:
CHEMBL3560922
Prediction Result:
Inactive92.84%

GRM5_HUMAN

Docking Scores:
-6.61 -7.52 -7.37
Similarity Score:
51.65%
Best Match:
CHEMBL1682821
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-7.04 -7.19 -6.88
Similarity Score:
20.59%
Best Match:
CHEMBL566136
Prediction Result:
Inactive97.67%

GRM7_HUMAN

Docking Scores:
-6.46 -6.16 -6.56
Similarity Score:
29.66%
Best Match:
CHEMBL3560922
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
-6.52 -6.34 -5.61
Similarity Score:
29.66%
Best Match:
CHEMBL3560922
Prediction Result:
Inactive98.02%

HRH1_HUMAN

Docking Scores:
-7.17
Similarity Score:
38.46%
Best Match:
CHEMBL2158833
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-7.17 -6.28 -5.82
Similarity Score:
36.30%
Best Match:
CHEMBL221462
Prediction Result:
Active80.50%

HRH3_HUMAN

Docking Scores:
-5.97 -6.29 -6.40
Similarity Score:
45.12%
Best Match:
CHEMBL544242
Prediction Result:
Active81.81%

HRH4_HUMAN

Docking Scores:
-6.71 -6.39 -6.57
Similarity Score:
33.96%
Best Match:
CHEMBL14638
Prediction Result:
Active58.62%

MC3R_HUMAN

Docking Scores:
-6.22 -5.85 -5.57
Similarity Score:
22.78%
Best Match:
CHEMBL392092
Prediction Result:
Inactive64.68%

MC4R_HUMAN

Docking Scores:
-4.95 -4.86 -5.11
Similarity Score:
32.14%
Best Match:
CHEMBL205461
Prediction Result:
Inactive90.23%

MC5R_HUMAN

Docking Scores:
-5.33 -6.42 -5.56
Similarity Score:
28.47%
Best Match:
CHEMBL3932950
Prediction Result:
Inactive64.40%

MSHR_HUMAN

Docking Scores:
-5.92 -5.65 -5.69
Similarity Score:
22.29%
Best Match:
CHEMBL13910
Prediction Result:
Inactive84.13%

NK1R_HUMAN

Docking Scores:
-6.09 -6.16 -6.29
Similarity Score:
30.43%
Best Match:
CHEMBL93909
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-6.00 -5.85 -6.18
Similarity Score:
46.25%
Best Match:
CHEMBL4111499
Prediction Result:
Inactive98.75%

NPBW1_HUMAN

Docking Scores:
-5.60 -5.89 -5.72
Similarity Score:
25.00%
Best Match:
CHEMBL1706758
Prediction Result:
Inactive93.46%

NPFF1_HUMAN

Docking Scores:
-5.66 -5.27 -5.67
Similarity Score:
24.09%
Best Match:
CHEMBL2208334
Prediction Result:
Inactive62.95%

NPSR1_HUMAN

Docking Scores:
-6.38 -6.31 -6.86
Similarity Score:
19.83%
Best Match:
CHEMBL3086828
Prediction Result:
Inactive84.30%

NPY1R_HUMAN

Docking Scores:
-6.90 -6.99 -5.98
Similarity Score:
35.06%
Best Match:
CHEMBL3559801
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-6.24 -5.83 -5.72
Similarity Score:
35.06%
Best Match:
CHEMBL3559801
Prediction Result:
Active54.76%

NPY4R_HUMAN

Docking Scores:
-6.15 -5.71 -5.87
Similarity Score:
35.06%
Best Match:
CHEMBL3559801
Prediction Result:
Active95.25%

NPY5R_HUMAN

Docking Scores:
-6.18 -6.25 -6.21
Similarity Score:
35.06%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive87.19%

OPRD_HUMAN

Docking Scores:
-5.82 -4.82 -5.15
Similarity Score:
34.75%
Best Match:
CHEMBL149074
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-5.96 -6.23 -6.36
Similarity Score:
37.36%
Best Match:
CHEMBL942
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-6.59 -6.54 -6.61
Similarity Score:
34.75%
Best Match:
CHEMBL149074
Prediction Result:
Inactive94.32%

OPRX_HUMAN

Docking Scores:
-5.82 -5.74 -5.84
Similarity Score:
35.00%
Best Match:
CHEMBL201805
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-6.31 -6.41 -6.66
Similarity Score:
28.00%
Best Match:
CHEMBL297624
Prediction Result:
Inactive81.10%

TAAR1_HUMAN

Docking Scores:
-6.88 -6.62 -6.64
Similarity Score:
40.00%
Best Match:
CHEMBL294703
Prediction Result:
Active70.51%

TSHR_HUMAN

Docking Scores:
-6.79 -6.64 -6.48
Similarity Score:
28.78%
Best Match:
CHEMBL1331194
Prediction Result:
Inactive91.92%

V1AR_HUMAN

Docking Scores:
-6.47 -5.77 -6.16
Similarity Score:
34.43%
Best Match:
CHEMBL3416859
Prediction Result:
Inactive90.52%

VIPR1_HUMAN

Docking Scores:
-6.52 -6.23 -5.93
Similarity Score:
28.57%
Best Match:
CHEMBL1784685
Prediction Result:
N/A