4-Drugs-Combination #104 Output Download CSV

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

Docking Scores:
-8.26 -6.77 -7.22
Similarity Score:
54.12%
Best Match:
CHEMBL3645761

L: Bictegravir
NS3_HCV1A

Docking Scores:
-7.77 -7.76 -9.84
Similarity Score:
37.41%
Best Match:
CHEMBL3645743

L: Ledipasvir
NS3_HCV1A

Docking Scores:
-8.96 -7.97 -9.41
Similarity Score:
59.41%
Best Match:
CHEMBL3983555

L: Oseltamivir
NS3_HCV1A

Docking Scores:
-5.17 -5.10 -5.16
Similarity Score:
39.16%
Best Match:
CHEMBL3645746

L: Saquinavir
NS3_HCV1B

Docking Scores:
-9.29 -9.13 -6.79
Similarity Score:
50.00%
Best Match:
CHEMBL3954962

L: Bictegravir
NS3_HCV1B

Docking Scores:
-10.06 -10.79 -7.31
Similarity Score:
35.82%
Best Match:
CHEMBL3954962

L: Ledipasvir
NS3_HCV1B

Docking Scores:
-10.73 -9.79 -7.50
Similarity Score:
35.92%
Best Match:
CHEMBL1170417

L: Oseltamivir
NS3_HCV1B

Docking Scores:
-5.44 -5.43 -5.05
Similarity Score:
38.00%
Best Match:
CHEMBL3927196

L: Saquinavir
NS3_HCV3A

Docking Scores:
-7.20 -6.55 -6.88
Similarity Score:
N/A
Best Match:
N/A

L: Bictegravir
NS3_HCV3A

Docking Scores:
-9.34 -9.04 -7.87
Similarity Score:
N/A
Best Match:
N/A

L: Ledipasvir
NS3_HCV3A

Docking Scores:
-8.36 -8.72 -8.71
Similarity Score:
N/A
Best Match:
N/A

L: Oseltamivir
NS3_HCV3A

Docking Scores:
-5.63 -5.35 -5.70
Similarity Score:
N/A
Best Match:
N/A

L: Saquinavir
NS5B_HCV1A

Docking Scores:
-9.35 -10.52 -9.48
Similarity Score:
53.22%
Best Match:
CHEMBL13256

L: Bictegravir
NS5B_HCV1A

Docking Scores:
-10.61 -9.96 -10.18
Similarity Score:
36.11%
Best Match:
CHEMBL3644880

L: Ledipasvir
NS5B_HCV1A

Docking Scores:
-9.78 -9.22 -9.44
Similarity Score:
40.24%
Best Match:
CHEMBL3644925

L: Oseltamivir
NS5B_HCV1A

Docking Scores:
-5.86 -6.56 -6.78
Similarity Score:
32.87%
Best Match:
CHEMBL13443

L: Saquinavir
NS5B_HCV1B

Docking Scores:
-9.45 -9.30 -8.99
Similarity Score:
40.47%
Best Match:
CHEMBL3645202

L: Bictegravir
NS5B_HCV1B

Docking Scores:
-9.58 -9.62 -8.92
Similarity Score:
36.31%
Best Match:
CHEMBL3645214

L: Ledipasvir
NS5B_HCV1B

Docking Scores:
-10.65 -8.82 -9.53
Similarity Score:
33.75%
Best Match:
CHEMBL3645193

L: Oseltamivir
NS5B_HCV1B

Docking Scores:
-6.32 -6.66 -6.64
Similarity Score:
22.18%
Best Match:
CHEMBL3645202