LTJv13 #89 Output Download CSV

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  The docking scores are in the AutoDock Vina metric.
L: Abacavir
NS3_HCV3A

Docking Scores:
-7.03 -6.81 -6.79
Similarity Score:
N/A
Best Match:
N/A

L: Dolutegravir
NS3_HCV3A

Docking Scores:
-7.83 -8.36 -8.14
Similarity Score:
N/A
Best Match:
N/A

L: Boceprevir
NS3_HCV3A

Docking Scores:
-7.05 -8.00 -7.57
Similarity Score:
N/A
Best Match:
N/A

L: Ribavirin
NS3_HCV3A

Docking Scores:
-6.01 -5.85 -5.82
Similarity Score:
N/A
Best Match:
N/A

L: Edoxudine
NS3_HCV3A

Docking Scores:
-6.39 -6.56 -6.01
Similarity Score:
N/A
Best Match:
N/A

L: Abacavir
NS5B_HCV1A

Docking Scores:
-7.32 -7.94 -7.97
Similarity Score:
28.63%
Best Match:
CHEMBL3644939

L: Dolutegravir
NS5B_HCV1A

Docking Scores:
-10.02 -10.07 -9.94
Similarity Score:
34.86%
Best Match:
CHEMBL3644880

L: Boceprevir
NS5B_HCV1A

Docking Scores:
-8.84 -9.26 -9.34
Similarity Score:
59.38%
Best Match:
CHEMBL13443

L: Ribavirin
NS5B_HCV1A

Docking Scores:
-6.49 -6.65 -6.40
Similarity Score:
20.57%
Best Match:
CHEMBL163917

L: Edoxudine
NS5B_HCV1A

Docking Scores:
-6.46 -6.71 -6.58
Similarity Score:
24.17%
Best Match:
CHEMBL353549

L: Abacavir
NS5B_HCV1B

Docking Scores:
-6.92 -7.07 -7.06
Similarity Score:
24.44%
Best Match:
CHEMBL3645202

L: Dolutegravir
NS5B_HCV1B

Docking Scores:
-8.99 -9.07 -9.62
Similarity Score:
35.74%
Best Match:
CHEMBL3645198

L: Boceprevir
NS5B_HCV1B

Docking Scores:
-7.79 -7.42 -7.14
Similarity Score:
20.16%
Best Match:
CHEMBL3422106

L: Ribavirin
NS5B_HCV1B

Docking Scores:
-5.72 -6.02 -6.11
Similarity Score:
24.14%
Best Match:
CHEMBL3645211

L: Edoxudine
NS5B_HCV1B

Docking Scores:
-6.40 -6.59 -6.26
Similarity Score:
20.60%
Best Match:
CHEMBL3645211

L: Abacavir
NS5B_HCV2A

Docking Scores:
-8.09 -8.10
Similarity Score:
N/A
Best Match:
N/A

L: Dolutegravir
NS5B_HCV2A

Docking Scores:
-10.88 -11.13
Similarity Score:
N/A
Best Match:
N/A

L: Boceprevir
NS5B_HCV2A

Docking Scores:
-9.03 -5.91
Similarity Score:
N/A
Best Match:
N/A

L: Ribavirin
NS5B_HCV2A

Docking Scores:
-7.10 -7.07
Similarity Score:
N/A
Best Match:
N/A

L: Edoxudine
NS5B_HCV2A

Docking Scores:
-7.41 -7.38
Similarity Score:
N/A
Best Match:
N/A