CB2_compounds #193 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: PY1-61
NS3_HCV1A

Docking Scores:
-5.91 -6.60 -8.08
Similarity Score:
35.51%
Best Match:
CHEMBL3984600

L: PY2-64
NS3_HCV1A

Docking Scores:
-8.37 -5.49 -6.69
Similarity Score:
27.20%
Best Match:
CHEMBL3945828

L: WIN55212-2
NS3_HCV1B

Docking Scores:
-9.93 -8.99 -7.34
Similarity Score:
32.42%
Best Match:
CHEMBL1170417

L: PY1-61
NS3_HCV1B

Docking Scores:
-8.33 -8.85 -6.18
Similarity Score:
25.33%
Best Match:
CHEMBL1170408

L: PY2-64
NS3_HCV1B

Docking Scores:
-8.10 -6.81 -5.61
Similarity Score:
29.80%
Best Match:
CHEMBL1170417

L: WIN55212-2
NS3_HCV3A

Docking Scores:
-7.72 -7.79 -7.31
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
NS3_HCV3A

Docking Scores:
-7.29 -7.16 -6.77
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
NS3_HCV3A

Docking Scores:
-6.74 -6.29 -6.42
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
NS5B_HCV1A

Docking Scores:
-9.35 -10.07 -9.96
Similarity Score:
35.38%
Best Match:
CHEMBL353549

L: PY1-61
NS5B_HCV1A

Docking Scores:
-8.43 -9.37 -9.37
Similarity Score:
30.77%
Best Match:
CHEMBL3644925

L: PY2-64
NS5B_HCV1A

Docking Scores:
-8.11 -8.47 -8.68
Similarity Score:
31.22%
Best Match:
CHEMBL176058

L: WIN55212-2
NS5B_HCV1B

Docking Scores:
-9.57 -8.32 -8.27
Similarity Score:
35.19%
Best Match:
CHEMBL3422106

L: PY1-61
NS5B_HCV1B

Docking Scores:
-8.18 -8.67 -8.22
Similarity Score:
30.57%
Best Match:
CHEMBL3645183

L: PY2-64
NS5B_HCV1B

Docking Scores:
-7.65 -8.31 -8.81
Similarity Score:
34.42%
Best Match:
CHEMBL3645180

L: WIN55212-2
NS5B_HCV2A

Docking Scores:
-11.20 -9.85
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
NS5B_HCV2A

Docking Scores:
-10.07 -8.77
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
NS5B_HCV2A

Docking Scores:
-9.07 -8.49
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
NSP15_SARS

Docking Scores:
-7.97
Similarity Score:
24.41%
Best Match:
CHEMBL221366

L: PY1-61
NSP15_SARS

Docking Scores:
-7.21
Similarity Score:
25.83%
Best Match:
CHEMBL2441741

L: PY2-64
NSP15_SARS

Docking Scores:
-6.84
Similarity Score:
18.38%
Best Match:
CHEMBL3105073