New v2 #183 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Chlorpromazine
PB3_A-H3N2

Docking Scores:
-6.69
Similarity Score:
N/A
Best Match:
N/A

L: Amodiaquine
PB3_A-H3N2

Docking Scores:
-7.60
Similarity Score:
N/A
Best Match:
N/A

L: Amodiaquine hydrochloride
PB3_A-H3N2

Docking Scores:
-7.34
Similarity Score:
N/A
Best Match:
N/A

L: Mefloquine
PB3_A-H3N2

Docking Scores:
-8.96
Similarity Score:
N/A
Best Match:
N/A

L: Imatinib
PB3_A-H3N2

Docking Scores:
-8.76
Similarity Score:
N/A
Best Match:
N/A

L: Chlorpromazine
PB4_A-H3N2

Docking Scores:
-6.05
Similarity Score:
N/A
Best Match:
N/A

L: Amodiaquine
PB4_A-H3N2

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

L: Amodiaquine hydrochloride
PB4_A-H3N2

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

L: Mefloquine
PB4_A-H3N2

Docking Scores:
-8.91
Similarity Score:
N/A
Best Match:
N/A

L: Imatinib
PB4_A-H3N2

Docking Scores:
-10.48
Similarity Score:
N/A
Best Match:
N/A

L: Chlorpromazine
PLP_SARS

Docking Scores:
-6.63 -6.39 -7.35
Similarity Score:
18.01%
Best Match:
CHEMBL213543

L: Amodiaquine
PLP_SARS

Docking Scores:
-8.28 -7.70 -7.88
Similarity Score:
28.00%
Best Match:
CHEMBL358279

L: Amodiaquine hydrochloride
PLP_SARS

Docking Scores:
-7.91 -7.33 -7.96
Similarity Score:
28.00%
Best Match:
CHEMBL358279

L: Mefloquine
PLP_SARS

Docking Scores:
-9.13 -8.37 -9.66
Similarity Score:
26.82%
Best Match:
CHEMBL358279

L: Imatinib
PLP_SARS

Docking Scores:
-9.59 -11.34 -10.53
Similarity Score:
34.24%
Best Match:
CHEMBL358279

L: Chlorpromazine
PLP_SARS2

Docking Scores:
-5.18
Similarity Score:
N/A
Best Match:
N/A

L: Amodiaquine
PLP_SARS2

Docking Scores:
-6.14
Similarity Score:
N/A
Best Match:
N/A

L: Amodiaquine hydrochloride
PLP_SARS2

Docking Scores:
-6.35
Similarity Score:
N/A
Best Match:
N/A

L: Mefloquine
PLP_SARS2

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

L: Imatinib
PLP_SARS2

Docking Scores:
-7.46
Similarity Score:
N/A
Best Match:
N/A