C64 #40 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

ACM5_HUMAN

Docking Scores:
-10.41 -10.35 -10.20
Similarity Score:
50.00%
Best Match:
CHEMBL3329736
Prediction Result:
Active89.01%

ACTHR_HUMAN

Docking Scores:
-9.50 -9.88 -8.40
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-8.51 -8.64 -8.49
Similarity Score:
46.58%
Best Match:
CHEMBL236830
Prediction Result:
Active50.24%

ADA2A_HUMAN

Docking Scores:
-2.17 0.58 2.27
Similarity Score:
52.46%
Best Match:
CHEMBL1221499
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-9.78 -8.23 -8.97
Similarity Score:
31.41%
Best Match:
CHEMBL346389
Prediction Result:
Active66.19%

ADA2C_HUMAN

Docking Scores:
0.55 2.58 2.34
Similarity Score:
50.41%
Best Match:
CHEMBL1455766
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-8.98 -8.83 -9.25
Similarity Score:
56.55%
Best Match:
CHEMBL417250
Prediction Result:
Active83.54%

ADRB2_HUMAN

Docking Scores:
-8.61 -7.92 -9.45
Similarity Score:
60.00%
Best Match:
CHEMBL1375364
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-9.52 -9.10 -9.49
Similarity Score:
56.55%
Best Match:
CHEMBL417250
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-9.29 -9.24 -9.13
Similarity Score:
37.21%
Best Match:
CHEMBL216515
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-9.32 -10.37 -10.94
Similarity Score:
38.27%
Best Match:
CHEMBL208738
Prediction Result:
Inactive56.03%

CALCR_HUMAN

Docking Scores:
-8.37 -7.65 -8.47
Similarity Score:
17.17%
Best Match:
CHEMBL2369897
Prediction Result:
Inactive98.14%

CCKAR_HUMAN

Docking Scores:
-8.31 -8.38 -8.72
Similarity Score:
37.10%
Best Match:
CHEMBL217595
Prediction Result:
Inactive87.79%

CCR1_HUMAN

Docking Scores:
-8.45 -7.37 -8.35
Similarity Score:
45.77%
Best Match:
CHEMBL1171758
Prediction Result:
Inactive67.18%

CCR2_HUMAN

Docking Scores:
-7.78 -9.29 -8.10
Similarity Score:
45.77%
Best Match:
CHEMBL1171758
Prediction Result:
Active54.03%

CCR4_HUMAN

Docking Scores:
-8.12 -7.89 -8.37
Similarity Score:
42.48%
Best Match:
CHEMBL1171786
Prediction Result:
Inactive65.07%

CCR5_HUMAN

Docking Scores:
-8.68 -8.52 -8.63
Similarity Score:
42.48%
Best Match:
CHEMBL1171786
Prediction Result:
Inactive85.07%

CLTR1_HUMAN

Docking Scores:
-7.79 -8.90 -10.03
Similarity Score:
44.25%
Best Match:
CHEMBL1214096
Prediction Result:
Active65.33%

CNR1_HUMAN

Docking Scores:
-9.22 -10.55 -10.79
Similarity Score:
100.00%
Best Match:
CHEMBL2336543
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-10.39 -10.31
Similarity Score:
100.00%
Best Match:
CHEMBL2326297
Prediction Result:
N/A