SARS2v5 #175 Output Download CSV

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

Docking Scores:
-7.23 -6.21 -8.26
Similarity Score:
37.08%
Best Match:
CHEMBL3951314

L: Ivacaftor
NS3_HCV1A

Docking Scores:
-7.00 -6.50 -8.08
Similarity Score:
36.65%
Best Match:
CHEMBL3948676

L: Niclosamide
NS3_HCV1A

Docking Scores:
-6.65 -6.37 -7.34
Similarity Score:
34.52%
Best Match:
CHEMBL4106916

L: Eltrombopag
NS3_HCV1A

Docking Scores:
-9.45 -8.01 -8.13
Similarity Score:
28.96%
Best Match:
CHEMBL3897232

L: Bazedoxifene
NS3_HCV1B

Docking Scores:
-8.04 -7.53 -6.29
Similarity Score:
36.40%
Best Match:
CHEMBL1170417

L: Ivacaftor
NS3_HCV1B

Docking Scores:
-8.15 -8.32 -6.73
Similarity Score:
27.07%
Best Match:
CHEMBL1170417

L: Niclosamide
NS3_HCV1B

Docking Scores:
-7.58 -7.87 -6.29
Similarity Score:
21.39%
Best Match:
CHEMBL3954962

L: Eltrombopag
NS3_HCV1B

Docking Scores:
-8.73 -10.41 -8.45
Similarity Score:
22.26%
Best Match:
CHEMBL3125634

L: Bazedoxifene
NS3_HCV3A

Docking Scores:
-6.41 -7.30 -6.86
Similarity Score:
N/A
Best Match:
N/A

L: Ivacaftor
NS3_HCV3A

Docking Scores:
-6.70 -6.57 -6.99
Similarity Score:
N/A
Best Match:
N/A

L: Niclosamide
NS3_HCV3A

Docking Scores:
-6.20 -6.20 -7.22
Similarity Score:
N/A
Best Match:
N/A

L: Eltrombopag
NS3_HCV3A

Docking Scores:
-8.14 -8.09 -8.39
Similarity Score:
N/A
Best Match:
N/A

L: Bazedoxifene
NS5B_HCV1A

Docking Scores:
-8.71 -11.03 -10.39
Similarity Score:
36.53%
Best Match:
CHEMBL363650

L: Ivacaftor
NS5B_HCV1A

Docking Scores:
-8.55 -8.67 -8.90
Similarity Score:
39.64%
Best Match:
CHEMBL176058

L: Niclosamide
NS5B_HCV1A

Docking Scores:
-7.70 -8.53 -7.88
Similarity Score:
27.52%
Best Match:
CHEMBL176058

L: Eltrombopag
NS5B_HCV1A

Docking Scores:
-10.05 -11.96 -12.37
Similarity Score:
26.29%
Best Match:
CHEMBL3644925

L: Bazedoxifene
NS5B_HCV1B

Docking Scores:
-8.45 -9.09 -9.06
Similarity Score:
34.30%
Best Match:
CHEMBL213832

L: Ivacaftor
NS5B_HCV1B

Docking Scores:
-9.20 -8.65 -8.95
Similarity Score:
40.53%
Best Match:
CHEMBL3645200

L: Niclosamide
NS5B_HCV1B

Docking Scores:
-7.43 -7.95 -7.68
Similarity Score:
31.03%
Best Match:
CHEMBL3645194

L: Eltrombopag
NS5B_HCV1B

Docking Scores:
-10.65 -9.69 -9.31
Similarity Score:
27.41%
Best Match:
CHEMBL3645191