LTJv5 #81 Output Download CSV

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

Docking Scores:
-6.96 -5.86 -7.53
Similarity Score:
34.11%
Best Match:
CHEMBL3645728

L: Ruxolitinib
NS3_HCV1A

Docking Scores:
-6.70 -5.97 -7.11
Similarity Score:
29.77%
Best Match:
CHEMBL4110202

L: Diclofenac
NS3_HCV1A

Docking Scores:
-7.19 -6.42 -6.94
Similarity Score:
29.50%
Best Match:
CHEMBL3984600

L: Fedratinib
NS3_HCV1A

Docking Scores:
-7.54 -6.30 -7.12
Similarity Score:
35.36%
Best Match:
CHEMBL3913754

L: Baricitinib
NS3_HCV1B

Docking Scores:
-8.01 -7.23 -5.74
Similarity Score:
31.69%
Best Match:
CHEMBL1170408

L: Ruxolitinib
NS3_HCV1B

Docking Scores:
-7.88 -7.81 -6.20
Similarity Score:
23.53%
Best Match:
CHEMBL1170417

L: Diclofenac
NS3_HCV1B

Docking Scores:
-6.85 -6.74 -6.51
Similarity Score:
16.67%
Best Match:
CHEMBL3125634

L: Fedratinib
NS3_HCV1B

Docking Scores:
-10.49 -8.27 -6.53
Similarity Score:
27.82%
Best Match:
CHEMBL1170417

L: Baricitinib
NS3_HCV3A

Docking Scores:
-6.62 -7.14 -6.62
Similarity Score:
N/A
Best Match:
N/A

L: Ruxolitinib
NS3_HCV3A

Docking Scores:
-6.64 -7.04 -6.60
Similarity Score:
N/A
Best Match:
N/A

L: Diclofenac
NS3_HCV3A

Docking Scores:
-6.37 -6.20 -6.12
Similarity Score:
N/A
Best Match:
N/A

L: Fedratinib
NS3_HCV3A

Docking Scores:
-7.42 -7.26 -7.17
Similarity Score:
N/A
Best Match:
N/A

L: Baricitinib
NS5B_HCV1A

Docking Scores:
-8.15 -7.74 -7.94
Similarity Score:
34.81%
Best Match:
CHEMBL3644907

L: Ruxolitinib
NS5B_HCV1A

Docking Scores:
-7.37 -8.13 -8.47
Similarity Score:
31.58%
Best Match:
CHEMBL353549

L: Diclofenac
NS5B_HCV1A

Docking Scores:
-6.99 -8.34 -8.47
Similarity Score:
27.42%
Best Match:
CHEMBL178973

L: Fedratinib
NS5B_HCV1A

Docking Scores:
-8.30 -9.47 -9.02
Similarity Score:
27.93%
Best Match:
CHEMBL3644940

L: Baricitinib
NS5B_HCV1B

Docking Scores:
-7.96 -7.67 -7.29
Similarity Score:
35.38%
Best Match:
CHEMBL3645197

L: Ruxolitinib
NS5B_HCV1B

Docking Scores:
-7.84 -8.48 -8.38
Similarity Score:
28.68%
Best Match:
CHEMBL3645202

L: Diclofenac
NS5B_HCV1B

Docking Scores:
-7.28 -7.09 -6.85
Similarity Score:
22.06%
Best Match:
CHEMBL3645194

L: Fedratinib
NS5B_HCV1B

Docking Scores:
-7.80 -8.28 -8.18
Similarity Score:
32.39%
Best Match:
CHEMBL3645179