ticagrelor_Y #44 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

HRH1_HUMAN

Docking Scores:
-7.84
Similarity Score:
34.81%
Best Match:
CHEMBL96141
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-10.22 -8.77 -9.31
Similarity Score:
27.80%
Best Match:
CHEMBL199824
Prediction Result:
Active84.22%

HRH3_HUMAN

Docking Scores:
-8.38 -8.75 -8.90
Similarity Score:
30.15%
Best Match:
CHEMBL2441082
Prediction Result:
Inactive58.73%

HRH4_HUMAN

Docking Scores:
-9.06 -8.66 -8.52
Similarity Score:
32.16%
Best Match:
CHEMBL1915533
Prediction Result:
Inactive69.17%

MC3R_HUMAN

Docking Scores:
-8.92 -8.51 -8.10
Similarity Score:
34.68%
Best Match:
CHEMBL1089483
Prediction Result:
Inactive64.43%

MC4R_HUMAN

Docking Scores:
-6.84 -7.17 -8.55
Similarity Score:
34.68%
Best Match:
CHEMBL1089483
Prediction Result:
Inactive51.43%

MC5R_HUMAN

Docking Scores:
-6.94 -8.51 -5.63
Similarity Score:
30.06%
Best Match:
CHEMBL2113039
Prediction Result:
Inactive90.46%

MSHR_HUMAN

Docking Scores:
-8.31 -7.71 -9.45
Similarity Score:
30.77%
Best Match:
CHEMBL2113043
Prediction Result:
Inactive62.78%

NK1R_HUMAN

Docking Scores:
-9.29 -8.38 -8.13
Similarity Score:
34.26%
Best Match:
CHEMBL214472
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-8.66 -8.72 -8.93
Similarity Score:
32.92%
Best Match:
CHEMBL3360201
Prediction Result:
Inactive93.72%

NPBW1_HUMAN

Docking Scores:
-8.83 -7.98 -8.91
Similarity Score:
26.05%
Best Match:
CHEMBL1968640
Prediction Result:
Inactive81.28%

NPFF1_HUMAN

Docking Scores:
-8.37 -8.03 -8.08
Similarity Score:
24.73%
Best Match:
CHEMBL2208301
Prediction Result:
Inactive68.08%

NPSR1_HUMAN

Docking Scores:
-8.69 -10.07 -9.61
Similarity Score:
33.33%
Best Match:
CHEMBL1800088
Prediction Result:
Inactive53.00%

NPY1R_HUMAN

Docking Scores:
-10.06 -8.76 -8.39
Similarity Score:
32.84%
Best Match:
CHEMBL347807
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-8.78 -8.27 -8.60
Similarity Score:
30.32%
Best Match:
CHEMBL3104112
Prediction Result:
Inactive93.61%

NPY4R_HUMAN

Docking Scores:
-9.09 -9.79 -9.03
Similarity Score:
27.04%
Best Match:
CHEMBL3099722
Prediction Result:
Inactive98.46%

NPY5R_HUMAN

Docking Scores:
-8.31 -7.88 -7.96
Similarity Score:
34.63%
Best Match:
CHEMBL595790
Prediction Result:
Inactive82.51%

OPRD_HUMAN

Docking Scores:
-7.99 -7.37 -7.61
Similarity Score:
32.54%
Best Match:
CHEMBL463518
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-9.99 -8.51 -9.01
Similarity Score:
41.25%
Best Match:
CHEMBL95302
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-8.95 -8.26 -8.48
Similarity Score:
36.30%
Best Match:
CHEMBL572393
Prediction Result:
Inactive73.52%