LTJv19 #100 Output Download CSV

View All
 
  The docking scores are in the AutoDock Vina metric.
L: Canagliflozin
NS3_HCV3A

Docking Scores:
-7.74 -7.32 -7.21
Similarity Score:
N/A
Best Match:
N/A

L: Metformin
NS3_HCV3A

Docking Scores:
-5.09 -5.12 -5.05
Similarity Score:
N/A
Best Match:
N/A

L: Glimepiride
NS3_HCV3A

Docking Scores:
-7.61 -6.94 -7.67
Similarity Score:
N/A
Best Match:
N/A

L: Glipizide
NS3_HCV3A

Docking Scores:
-8.01 -7.89 -7.70
Similarity Score:
N/A
Best Match:
N/A

L: Sitagliptin
NS3_HCV3A

Docking Scores:
-8.19 -7.88 -7.28
Similarity Score:
N/A
Best Match:
N/A

L: Canagliflozin
NS5B_HCV1A

Docking Scores:
-9.01 -9.74 -9.50
Similarity Score:
30.77%
Best Match:
CHEMBL354813

L: Metformin
NS5B_HCV1A

Docking Scores:
-5.56 -5.48 -5.43
Similarity Score:
4.03%
Best Match:
CHEMBL13256

L: Glimepiride
NS5B_HCV1A

Docking Scores:
-9.38 -10.33 -10.10
Similarity Score:
41.28%
Best Match:
CHEMBL3644895

L: Glipizide
NS5B_HCV1A

Docking Scores:
-8.88 -9.43 -9.81
Similarity Score:
44.19%
Best Match:
CHEMBL13256

L: Sitagliptin
NS5B_HCV1A

Docking Scores:
-9.09 -9.22 -8.92
Similarity Score:
37.93%
Best Match:
CHEMBL68034

L: Canagliflozin
NS5B_HCV1B

Docking Scores:
-8.72 -8.69 -8.40
Similarity Score:
24.46%
Best Match:
CHEMBL4111989

L: Metformin
NS5B_HCV1B

Docking Scores:
-4.96 -4.90 -4.80
Similarity Score:
3.29%
Best Match:
CHEMBL3645211

L: Glimepiride
NS5B_HCV1B

Docking Scores:
-9.11 -8.99 -8.90
Similarity Score:
26.69%
Best Match:
CHEMBL3645210

L: Glipizide
NS5B_HCV1B

Docking Scores:
-8.32 -8.89 -8.81
Similarity Score:
32.27%
Best Match:
CHEMBL3645200

L: Sitagliptin
NS5B_HCV1B

Docking Scores:
-8.27 -9.31 -9.19
Similarity Score:
32.61%
Best Match:
CHEMBL3645214

L: Canagliflozin
NS5B_HCV2A

Docking Scores:
-10.66 -10.35
Similarity Score:
N/A
Best Match:
N/A

L: Metformin
NS5B_HCV2A

Docking Scores:
-5.33 -5.92
Similarity Score:
N/A
Best Match:
N/A

L: Glimepiride
NS5B_HCV2A

Docking Scores:
-10.11 -11.66
Similarity Score:
N/A
Best Match:
N/A

L: Glipizide
NS5B_HCV2A

Docking Scores:
-9.80 -10.30
Similarity Score:
N/A
Best Match:
N/A

L: Sitagliptin
NS5B_HCV2A

Docking Scores:
-10.17 -10.28
Similarity Score:
N/A
Best Match:
N/A