LTJv9 #85 Output Download CSV

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

Docking Scores:
-8.63 -8.61 -9.10
Similarity Score:
N/A
Best Match:
N/A

L: Tenofovir disoproxil
NS3_HCV3A

Docking Scores:
-5.63 -6.18 -5.72
Similarity Score:
N/A
Best Match:
N/A

L: Asunaprevir
NS3_HCV3A

Docking Scores:
-7.46 -7.35 -7.68
Similarity Score:
N/A
Best Match:
N/A

L: Penciclovir
NS3_HCV3A

Docking Scores:
-5.49 -5.11 -5.28
Similarity Score:
N/A
Best Match:
N/A

L: Voxilaprevir
NS3_HCV3A

Docking Scores:
-9.62 -9.76 -8.85
Similarity Score:
N/A
Best Match:
N/A

L: Grazoprevir
NS5B_HCV1A

Docking Scores:
-10.31 -9.94 -10.19
Similarity Score:
48.38%
Best Match:
CHEMBL3644913

L: Tenofovir disoproxil
NS5B_HCV1A

Docking Scores:
-6.80 -7.39 -6.80
Similarity Score:
20.87%
Best Match:
CHEMBL353549

L: Asunaprevir
NS5B_HCV1A

Docking Scores:
-9.49 -8.96 -9.81
Similarity Score:
52.53%
Best Match:
CHEMBL3644909

L: Penciclovir
NS5B_HCV1A

Docking Scores:
-6.56 -6.68 -6.46
Similarity Score:
25.94%
Best Match:
CHEMBL353549

L: Voxilaprevir
NS5B_HCV1A

Docking Scores:
-10.19 -9.75 -10.29
Similarity Score:
42.81%
Best Match:
CHEMBL3644913

L: Grazoprevir
NS5B_HCV1B

Docking Scores:
-9.06 -8.23 -7.88
Similarity Score:
34.67%
Best Match:
CHEMBL3645182

L: Tenofovir disoproxil
NS5B_HCV1B

Docking Scores:
-6.19 -6.30 -5.99
Similarity Score:
22.50%
Best Match:
CHEMBL3970609

L: Asunaprevir
NS5B_HCV1B

Docking Scores:
-7.76 -7.39 -7.96
Similarity Score:
34.62%
Best Match:
CHEMBL3645182

L: Penciclovir
NS5B_HCV1B

Docking Scores:
-6.02 -6.52 -6.66
Similarity Score:
23.33%
Best Match:
CHEMBL3645183

L: Voxilaprevir
NS5B_HCV1B

Docking Scores:
-9.37 -8.99 -8.72
Similarity Score:
32.96%
Best Match:
CHEMBL3645182

L: Grazoprevir
NS5B_HCV2A

Docking Scores:
-8.60 15.33
Similarity Score:
N/A
Best Match:
N/A

L: Tenofovir disoproxil
NS5B_HCV2A

Docking Scores:
-8.18 -7.98
Similarity Score:
N/A
Best Match:
N/A

L: Asunaprevir
NS5B_HCV2A

Docking Scores:
-9.32 -5.02
Similarity Score:
N/A
Best Match:
N/A

L: Penciclovir
NS5B_HCV2A

Docking Scores:
-6.88 -7.20
Similarity Score:
N/A
Best Match:
N/A

L: Voxilaprevir
NS5B_HCV2A

Docking Scores:
-8.49 1.18
Similarity Score:
N/A
Best Match:
N/A