1 #492 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

ACM5_HUMAN

Docking Scores:
-11.09 -10.75 -9.29
Similarity Score:
45.95%
Best Match:
CHEMBL3334991
Prediction Result:
Active91.23%

ACTHR_HUMAN

Docking Scores:
-11.79 -11.93 -9.38
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-9.88 -8.74 -9.83
Similarity Score:
49.22%
Best Match:
CHEMBL3104093
Prediction Result:
Active78.00%

ADA2A_HUMAN

Docking Scores:
-3.24 -2.29 0.71
Similarity Score:
55.62%
Best Match:
CHEMBL592752
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-11.26 -9.80 -9.56
Similarity Score:
47.94%
Best Match:
CHEMBL3104091
Prediction Result:
Active72.65%

ADA2C_HUMAN

Docking Scores:
-0.09 3.57 3.94
Similarity Score:
51.06%
Best Match:
CHEMBL3104092
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-9.98 -10.25 -10.40
Similarity Score:
42.86%
Best Match:
CHEMBL498304
Prediction Result:
Inactive50.95%

ADRB2_HUMAN

Docking Scores:
-10.73 -10.70 -11.33
Similarity Score:
42.33%
Best Match:
CHEMBL236251
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-10.82 -10.64 -10.02
Similarity Score:
42.86%
Best Match:
CHEMBL498304
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-10.05 -9.89 -9.82
Similarity Score:
44.66%
Best Match:
CHEMBL2435833
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-10.51 -10.69 -10.47
Similarity Score:
38.91%
Best Match:
CHEMBL25751
Prediction Result:
Inactive53.99%

CALCR_HUMAN

Docking Scores:
-9.01 -8.93 -9.08
Similarity Score:
30.17%
Best Match:
CHEMBL4476595
Prediction Result:
Inactive98.15%

CCKAR_HUMAN

Docking Scores:
-8.89 -8.35 -8.70
Similarity Score:
41.98%
Best Match:
CHEMBL2372623
Prediction Result:
Inactive79.89%

CCR1_HUMAN

Docking Scores:
-8.97 -8.76 -8.39
Similarity Score:
55.33%
Best Match:
CHEMBL2178572
Prediction Result:
Active57.24%

CCR2_HUMAN

Docking Scores:
-8.24 -9.50 -8.78
Similarity Score:
63.31%
Best Match:
CHEMBL2314058
Prediction Result:
Active93.07%

CCR4_HUMAN

Docking Scores:
-8.31 -9.39 -9.91
Similarity Score:
45.91%
Best Match:
CHEMBL2435852
Prediction Result:
Active60.81%

CCR5_HUMAN

Docking Scores:
-9.31 -9.13 -9.16
Similarity Score:
60.12%
Best Match:
CHEMBL595902
Prediction Result:
Active80.24%

CLTR1_HUMAN

Docking Scores:
-9.77 -10.64 -10.34
Similarity Score:
39.47%
Best Match:
CHEMBL423333
Prediction Result:
Inactive69.89%

CNR1_HUMAN

Docking Scores:
-9.70 -9.28 -8.68
Similarity Score:
67.30%
Best Match:
CHEMBL1950342
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-10.67 -10.18
Similarity Score:
61.58%
Best Match:
CHEMBL1950330
Prediction Result:
N/A