LTJv17 #93 Output Download CSV

View All
 
  The docking scores are in the AutoDock Vina metric.
L: 1-deoxymannojirimycin
NS3_HCV3A

Docking Scores:
-4.80 -5.07 -4.80
Similarity Score:
N/A
Best Match:
N/A

L: Etravirine
NS3_HCV3A

Docking Scores:
-6.27 -6.31 -6.23
Similarity Score:
N/A
Best Match:
N/A

L: Amprenavir
NS3_HCV3A

Docking Scores:
-6.04 -6.62 -6.45
Similarity Score:
N/A
Best Match:
N/A

L: Letermovir
NS3_HCV3A

Docking Scores:
-8.00 -6.97 -7.63
Similarity Score:
N/A
Best Match:
N/A

L: Tipranavir
NS3_HCV3A

Docking Scores:
-6.48 -7.86 -6.38
Similarity Score:
N/A
Best Match:
N/A

L: 1-deoxymannojirimycin
NS5B_HCV1A

Docking Scores:
-5.44 -4.95 -4.90
Similarity Score:
25.47%
Best Match:
CHEMBL163917

L: Etravirine
NS5B_HCV1A

Docking Scores:
-8.34 -9.16 -9.02
Similarity Score:
28.18%
Best Match:
CHEMBL446360

L: Amprenavir
NS5B_HCV1A

Docking Scores:
-7.51 -8.49 -8.24
Similarity Score:
42.60%
Best Match:
CHEMBL3644927

L: Letermovir
NS5B_HCV1A

Docking Scores:
-9.10 -9.24 -9.34
Similarity Score:
32.31%
Best Match:
CHEMBL3644920

L: Tipranavir
NS5B_HCV1A

Docking Scores:
-8.21 -10.00 -10.92
Similarity Score:
29.67%
Best Match:
CHEMBL3644887

L: 1-deoxymannojirimycin
NS5B_HCV1B

Docking Scores:
-4.74 -4.64 -4.61
Similarity Score:
12.17%
Best Match:
CHEMBL3422106

L: Etravirine
NS5B_HCV1B

Docking Scores:
-8.30 -7.83 -7.37
Similarity Score:
26.56%
Best Match:
CHEMBL3645180

L: Amprenavir
NS5B_HCV1B

Docking Scores:
-7.79 -7.69 -7.99
Similarity Score:
35.04%
Best Match:
CHEMBL3645210

L: Letermovir
NS5B_HCV1B

Docking Scores:
-9.05 -8.81 -8.36
Similarity Score:
30.77%
Best Match:
CHEMBL3645205

L: Tipranavir
NS5B_HCV1B

Docking Scores:
-9.52 -9.38 -9.19
Similarity Score:
30.90%
Best Match:
CHEMBL3645202

L: 1-deoxymannojirimycin
NS5B_HCV2A

Docking Scores:
-5.38 -5.62
Similarity Score:
N/A
Best Match:
N/A

L: Etravirine
NS5B_HCV2A

Docking Scores:
-9.19 -9.23
Similarity Score:
N/A
Best Match:
N/A

L: Amprenavir
NS5B_HCV2A

Docking Scores:
-8.51 -8.95
Similarity Score:
N/A
Best Match:
N/A

L: Letermovir
NS5B_HCV2A

Docking Scores:
-8.14 -6.56
Similarity Score:
N/A
Best Match:
N/A

L: Tipranavir
NS5B_HCV2A

Docking Scores:
-10.63 -9.16
Similarity Score:
N/A
Best Match:
N/A