LTJv1 #77 Output Download CSV

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  The docking scores are in the AutoDock Vina metric.
L: Fosinopril
NS3_HCV1A

Docking Scores:
-8.02 -5.16 -7.06
Similarity Score:
29.39%
Best Match:
CHEMBL3645759

L: abacavir
NS3_HCV1A

Docking Scores:
-7.37 -5.76 -7.61
Similarity Score:
28.51%
Best Match:
CHEMBL3891173

L: Atazanavir
NS3_HCV1A

Docking Scores:
-6.57 -5.74 -6.30
Similarity Score:
40.54%
Best Match:
CHEMBL3976363

L: Peramivir
NS3_HCV1A

Docking Scores:
-7.22 -6.24 -5.86
Similarity Score:
50.00%
Best Match:
CHEMBL296588

L: Fosinopril
NS3_HCV1B

Docking Scores:
-6.50 -7.20 -5.39
Similarity Score:
32.07%
Best Match:
CHEMBL3954962

L: abacavir
NS3_HCV1B

Docking Scores:
-6.39 -7.49 -5.78
Similarity Score:
24.18%
Best Match:
CHEMBL297884

L: Atazanavir
NS3_HCV1B

Docking Scores:
-9.43 -6.06 -6.12
Similarity Score:
42.59%
Best Match:
CHEMBL1170408

L: Peramivir
NS3_HCV1B

Docking Scores:
-7.43 -6.86 -5.39
Similarity Score:
37.61%
Best Match:
CHEMBL3921185

L: Fosinopril
NS3_HCV3A

Docking Scores:
-6.42 -6.02 -5.65
Similarity Score:
N/A
Best Match:
N/A

L: abacavir
NS3_HCV3A

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

L: Atazanavir
NS3_HCV3A

Docking Scores:
-6.95 -6.24 -6.50
Similarity Score:
N/A
Best Match:
N/A

L: Peramivir
NS3_HCV3A

Docking Scores:
-5.95 -6.11 -5.94
Similarity Score:
N/A
Best Match:
N/A

L: Fosinopril
NS5B_HCV1A

Docking Scores:
-8.10 -8.45 -8.10
Similarity Score:
31.65%
Best Match:
CHEMBL68034

L: abacavir
NS5B_HCV1A

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

L: Atazanavir
NS5B_HCV1A

Docking Scores:
-8.28 -9.45 -9.42
Similarity Score:
43.21%
Best Match:
CHEMBL353549

L: Peramivir
NS5B_HCV1A

Docking Scores:
-6.58 -7.07 -7.33
Similarity Score:
42.86%
Best Match:
CHEMBL13443

L: Fosinopril
NS5B_HCV1B

Docking Scores:
-7.39 -7.50 -7.14
Similarity Score:
26.19%
Best Match:
CHEMBL3645202

L: abacavir
NS5B_HCV1B

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

L: Atazanavir
NS5B_HCV1B

Docking Scores:
-8.27 -8.92 -8.44
Similarity Score:
36.65%
Best Match:
CHEMBL3422106

L: Peramivir
NS5B_HCV1B

Docking Scores:
-7.14 -6.92 -6.24
Similarity Score:
22.32%
Best Match:
CHEMBL3645202