Asprin #66 Output Download CSV

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

Docking Scores:
-4.15 -4.23 -4.29
Similarity Score:
13.43%
Best Match:
CHEMBL161264
Prediction Result:
Inactive99.99%

5HT1B_HUMAN

Docking Scores:
-4.43 -4.78 -4.60
Similarity Score:
8.05%
Best Match:
CHEMBL191460
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-4.40 -4.00 -4.17
Similarity Score:
8.05%
Best Match:
CHEMBL191460
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-4.50 -4.53 -4.82
Similarity Score:
6.92%
Best Match:
CHEMBL22744
Prediction Result:
Active55.22%

5HT1F_HUMAN

Docking Scores:
-4.35 -4.51 -4.34
Similarity Score:
6.42%
Best Match:
CHEMBL187928
Prediction Result:
Inactive85.63%

5HT2A_HUMAN

Docking Scores:
-4.86 -4.22
Similarity Score:
11.43%
Best Match:
CHEMBL334255
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-4.54 -4.22 -4.43
Similarity Score:
21.95%
Best Match:
CHEMBL547
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-4.26 -4.96
Similarity Score:
12.50%
Best Match:
CHEMBL2260568
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-4.79 -4.71 -4.40
Similarity Score:
9.57%
Best Match:
CHEMBL539652
Prediction Result:
Inactive92.37%

5HT5A_HUMAN

Docking Scores:
-4.51 -4.43 -4.26
Similarity Score:
9.23%
Best Match:
CHEMBL189262
Prediction Result:
Inactive65.17%

5HT6R_HUMAN

Docking Scores:
-4.37 -4.06 -4.27
Similarity Score:
12.12%
Best Match:
CHEMBL98511
Prediction Result:
Inactive99.99%

5HT7R_HUMAN

Docking Scores:
-4.20 -4.61 -4.33
Similarity Score:
9.47%
Best Match:
CHEMBL2158034
Prediction Result:
Inactive99.99%

AA1R_HUMAN

Docking Scores:
-4.55 -4.41 -4.65
Similarity Score:
24.32%
Best Match:
CHEMBL3314905
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-4.50 -4.59 -4.34
Similarity Score:
24.32%
Best Match:
CHEMBL3314905
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-4.33 -4.48 -4.11
Similarity Score:
6.82%
Best Match:
CHEMBL217076
Prediction Result:
Inactive99.99%

AA3R_HUMAN

Docking Scores:
-4.80 -4.63 -4.15
Similarity Score:
24.32%
Best Match:
CHEMBL3314905
Prediction Result:
Inactive99.99%

ACM1_HUMAN

Docking Scores:
-4.69 -5.42
Similarity Score:
16.13%
Best Match:
CHEMBL451821
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-4.73 -4.43 -4.68
Similarity Score:
37.04%
Best Match:
CHEMBL1200623
Prediction Result:
Active65.07%

ACM3_HUMAN

Docking Scores:
-4.41 -4.55 -4.93
Similarity Score:
16.67%
Best Match:
CHEMBL2432039
Prediction Result:
Inactive92.68%

ACM4_HUMAN

Docking Scores:
-4.75 -4.63
Similarity Score:
16.67%
Best Match:
CHEMBL2432039
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-4.36 -4.40 -4.45
Similarity Score:
16.67%
Best Match:
CHEMBL2432039
Prediction Result:
Inactive80.04%

ACTHR_HUMAN

Docking Scores:
-5.93 -5.55 -4.46
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-4.14 -4.39 -4.55
Similarity Score:
9.46%
Best Match:
CHEMBL516
Prediction Result:
Inactive99.99%

ADA2A_HUMAN

Docking Scores:
-4.71 -4.67 -4.65
Similarity Score:
23.26%
Best Match:
CHEMBL191703
Prediction Result:
Inactive71.79%

ADA2B_HUMAN

Docking Scores:
-4.86 -4.80 -4.93
Similarity Score:
11.43%
Best Match:
CHEMBL334255
Prediction Result:
Active59.89%

ADA2C_HUMAN

Docking Scores:
-4.90 -4.69 -4.75
Similarity Score:
23.26%
Best Match:
CHEMBL191703
Prediction Result:
Inactive58.66%

ADRB1_HUMAN

Docking Scores:
-4.49 -4.39 -4.17
Similarity Score:
8.33%
Best Match:
CHEMBL1083669
Prediction Result:
Inactive99.99%

ADRB2_HUMAN

Docking Scores:
-4.71 -4.74 -4.75
Similarity Score:
8.70%
Best Match:
CHEMBL1569630
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-4.56 -4.78 -4.63
Similarity Score:
7.03%
Best Match:
CHEMBL4065251
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-5.26 -5.26 -5.26
Similarity Score:
6.12%
Best Match:
CHEMBL376286
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-4.78 -4.89 -5.12
Similarity Score:
6.25%
Best Match:
CHEMBL121565
Prediction Result:
Inactive95.88%

CALCR_HUMAN

Docking Scores:
-4.19 -4.52 -4.41
Similarity Score:
2.72%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive99.99%

CCKAR_HUMAN

Docking Scores:
-4.55 -4.58 -5.14
Similarity Score:
5.77%
Best Match:
CHEMBL206025
Prediction Result:
Inactive95.04%

CCR1_HUMAN

Docking Scores:
-4.67 -5.01 -4.04
Similarity Score:
10.42%
Best Match:
CHEMBL3138187
Prediction Result:
Inactive99.99%

CCR2_HUMAN

Docking Scores:
-4.39 -4.26 -4.44
Similarity Score:
12.33%
Best Match:
CHEMBL3753178
Prediction Result:
Inactive91.27%

CCR4_HUMAN

Docking Scores:
-3.90 -4.16 -4.81
Similarity Score:
10.34%
Best Match:
CHEMBL1621896
Prediction Result:
Inactive99.99%

CCR5_HUMAN

Docking Scores:
-5.30 -4.96 -4.75
Similarity Score:
11.11%
Best Match:
CHEMBL468150
Prediction Result:
Inactive99.63%

CLTR1_HUMAN

Docking Scores:
-5.28 -5.22 -5.32
Similarity Score:
8.04%
Best Match:
CHEMBL285954
Prediction Result:
Inactive98.33%

CNR1_HUMAN

Docking Scores:
-4.26 -4.87 -5.21
Similarity Score:
21.95%
Best Match:
CHEMBL146346
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-5.05 -4.92
Similarity Score:
40.91%
Best Match:
CHEMBL3360190
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-4.52
Similarity Score:
5.88%
Best Match:
CHEMBL218964
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-4.92 -3.84 -3.76
Similarity Score:
9.35%
Best Match:
CHEMBL3645131
Prediction Result:
Inactive99.99%

CXCR3_HUMAN

Docking Scores:
-4.74 -4.62 -4.63
Similarity Score:
12.86%
Best Match:
CHEMBL2205704
Prediction Result:
Inactive99.20%

CXCR4_HUMAN

Docking Scores:
-4.88 -3.84 -4.53
Similarity Score:
11.32%
Best Match:
CHEMBL2170299
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-4.36 -3.97 -4.16
Similarity Score:
9.46%
Best Match:
CHEMBL516
Prediction Result:
Inactive99.99%

DRD2_HUMAN

Docking Scores:
-4.81
Similarity Score:
16.98%
Best Match:
CHEMBL162762
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-4.54
Similarity Score:
16.98%
Best Match:
CHEMBL162762
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-4.46 -4.56
Similarity Score:
16.98%
Best Match:
CHEMBL162762
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-4.65 -4.69 -4.58
Similarity Score:
8.42%
Best Match:
CHEMBL487387
Prediction Result:
Inactive82.29%

EDNRA_HUMAN

Docking Scores:
-4.58 -4.93 -4.99
Similarity Score:
6.72%
Best Match:
CHEMBL323951
Prediction Result:
Inactive95.97%

GABR1_HUMAN

Docking Scores:
-4.74 -4.68 -5.98
Similarity Score:
5.71%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive88.80%

GASR_HUMAN

Docking Scores:
-4.47 -4.72 -4.02
Similarity Score:
7.00%
Best Match:
CHEMBL30844
Prediction Result:
Inactive99.99%

GRM1_HUMAN

Docking Scores:
-4.63 -4.92 -4.65
Similarity Score:
21.62%
Best Match:
CHEMBL38499
Prediction Result:
Inactive97.17%

GRM2_HUMAN

Docking Scores:
-5.19 -5.46 -5.12
Similarity Score:
21.62%
Best Match:
CHEMBL38499
Prediction Result:
Inactive78.19%

GRM3_HUMAN

Docking Scores:
-5.25 -5.39 -5.18
Similarity Score:
20.41%
Best Match:
CHEMBL2381641
Prediction Result:
Active62.00%

GRM4_HUMAN

Docking Scores:
-4.59 -4.53 -4.78
Similarity Score:
7.46%
Best Match:
CHEMBL1921961
Prediction Result:
Inactive97.96%

GRM5_HUMAN

Docking Scores:
-4.75 -5.84 -5.77
Similarity Score:
12.20%
Best Match:
CHEMBL90501
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-4.89 -4.90 -4.91
Similarity Score:
20.41%
Best Match:
CHEMBL2381641
Prediction Result:
Inactive95.89%

GRM7_HUMAN

Docking Scores:
-4.56 -4.34 -4.77
Similarity Score:
4.30%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.96%

GRM8_HUMAN

Docking Scores:
-4.67 -4.69 -4.53
Similarity Score:
12.50%
Best Match:
CHEMBL575060
Prediction Result:
Inactive84.12%

HRH1_HUMAN

Docking Scores:
-5.40
Similarity Score:
12.82%
Best Match:
CHEMBL1101
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-5.06 -4.45 -4.98
Similarity Score:
9.46%
Best Match:
CHEMBL516
Prediction Result:
Active82.38%

HRH3_HUMAN

Docking Scores:
-4.93 -4.12 -4.11
Similarity Score:
23.26%
Best Match:
CHEMBL191703
Prediction Result:
Inactive99.99%

HRH4_HUMAN

Docking Scores:
-4.44 -4.39 -4.10
Similarity Score:
11.32%
Best Match:
CHEMBL1934049
Prediction Result:
Inactive99.99%

MC3R_HUMAN

Docking Scores:
-5.30 -4.83 -4.95
Similarity Score:
7.78%
Best Match:
CHEMBL462044
Prediction Result:
Inactive75.39%

MC4R_HUMAN

Docking Scores:
-3.65 -3.48 -4.43
Similarity Score:
10.96%
Best Match:
CHEMBL1699592
Prediction Result:
Inactive99.99%

MC5R_HUMAN

Docking Scores:
-3.82 -4.83 -3.87
Similarity Score:
10.11%
Best Match:
CHEMBL3919869
Prediction Result:
Inactive99.99%

MSHR_HUMAN

Docking Scores:
-4.70 -4.28 -4.77
Similarity Score:
8.33%
Best Match:
CHEMBL267020
Prediction Result:
Inactive84.03%

NK1R_HUMAN

Docking Scores:
-4.36 -4.35 -4.00
Similarity Score:
12.50%
Best Match:
CHEMBL423597
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-4.27 -4.71 -4.35
Similarity Score:
8.40%
Best Match:
CHEMBL1683153
Prediction Result:
Inactive99.70%

NPBW1_HUMAN

Docking Scores:
-4.61 -4.10 -3.93
Similarity Score:
4.47%
Best Match:
CHEMBL1940536
Prediction Result:
Inactive99.99%

NPFF1_HUMAN

Docking Scores:
-4.36 -3.90 -4.28
Similarity Score:
7.14%
Best Match:
CHEMBL3361417
Prediction Result:
Inactive99.99%

NPSR1_HUMAN

Docking Scores:
-4.38 -4.73 -4.84
Similarity Score:
6.67%
Best Match:
CHEMBL3086828
Prediction Result:
Inactive86.25%

NPY1R_HUMAN

Docking Scores:
-4.60 -4.89 -4.22
Similarity Score:
9.28%
Best Match:
CHEMBL549377
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-4.41 -4.09 -4.04
Similarity Score:
7.02%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive99.99%

NPY4R_HUMAN

Docking Scores:
-4.68 -3.98 -3.77
Similarity Score:
7.02%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive99.99%

NPY5R_HUMAN

Docking Scores:
-4.06 -4.00 -4.04
Similarity Score:
8.06%
Best Match:
CHEMBL469173
Prediction Result:
Inactive99.99%

OPRD_HUMAN

Docking Scores:
-4.60 -3.95 -3.89
Similarity Score:
11.84%
Best Match:
CHEMBL218242
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-4.78 -4.71 -4.90
Similarity Score:
16.67%
Best Match:
CHEMBL2432039
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-4.74 -4.07 -4.40
Similarity Score:
22.22%
Best Match:
CHEMBL123693
Prediction Result:
Inactive99.99%

OPRX_HUMAN

Docking Scores:
-3.94 -3.99 -4.02
Similarity Score:
11.11%
Best Match:
CHEMBL228857
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-4.58 -4.88 -5.21
Similarity Score:
11.69%
Best Match:
CHEMBL371569
Prediction Result:
Inactive93.93%

TAAR1_HUMAN

Docking Scores:
-4.51 -4.30 -4.17
Similarity Score:
13.64%
Best Match:
CHEMBL1429767
Prediction Result:
Inactive99.99%

TSHR_HUMAN

Docking Scores:
-4.86 -4.46 -4.89
Similarity Score:
6.94%
Best Match:
CHEMBL3897841
Prediction Result:
Inactive91.71%

V1AR_HUMAN

Docking Scores:
-4.84 -4.25 -4.28
Similarity Score:
8.42%
Best Match:
CHEMBL1083254
Prediction Result:
Inactive99.99%

VIPR1_HUMAN

Docking Scores:
-4.82 -4.41 -4.61
Similarity Score:
4.17%
Best Match:
CHEMBL484952
Prediction Result:
N/A