New v2 #183 Output Download CSV

View All
 
  The docking scores are in the AutoDock Vina metric.
L: Chlorpromazine
PA_A-H17N10

Docking Scores:
-6.03
Similarity Score:
N/A
Best Match:
N/A

L: Amodiaquine
PA_A-H17N10

Docking Scores:
-7.11
Similarity Score:
N/A
Best Match:
N/A

L: Amodiaquine hydrochloride
PA_A-H17N10

Docking Scores:
-7.04
Similarity Score:
N/A
Best Match:
N/A

L: Mefloquine
PA_A-H17N10

Docking Scores:
-7.44
Similarity Score:
N/A
Best Match:
N/A

L: Imatinib
PA_A-H17N10

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

L: Chlorpromazine
PA_A-H1N1

Docking Scores:
-5.92 -6.09 -6.60
Similarity Score:
N/A
Best Match:
N/A

L: Amodiaquine
PA_A-H1N1

Docking Scores:
-7.69 -7.93 -7.40
Similarity Score:
N/A
Best Match:
N/A

L: Amodiaquine hydrochloride
PA_A-H1N1

Docking Scores:
-7.38 -6.67 -7.54
Similarity Score:
N/A
Best Match:
N/A

L: Mefloquine
PA_A-H1N1

Docking Scores:
-7.41 -7.80 -7.63
Similarity Score:
N/A
Best Match:
N/A

L: Imatinib
PA_A-H1N1

Docking Scores:
-9.40 -8.92 -10.08
Similarity Score:
N/A
Best Match:
N/A

L: Chlorpromazine
PA_A-H5N1

Docking Scores:
-6.57 -6.30 -6.33
Similarity Score:
N/A
Best Match:
N/A

L: Amodiaquine
PA_A-H5N1

Docking Scores:
-7.71 -7.38 -7.47
Similarity Score:
N/A
Best Match:
N/A

L: Amodiaquine hydrochloride
PA_A-H5N1

Docking Scores:
-7.79 -7.70 -7.71
Similarity Score:
N/A
Best Match:
N/A

L: Mefloquine
PA_A-H5N1

Docking Scores:
-7.63 -7.58 -7.59
Similarity Score:
N/A
Best Match:
N/A

L: Imatinib
PA_A-H5N1

Docking Scores:
-10.13 -8.84 -9.70
Similarity Score:
N/A
Best Match:
N/A

L: Chlorpromazine
PA_INFA

Docking Scores:
-6.76 -6.20 -5.93
Similarity Score:
22.95%
Best Match:
CHEMBL2040554

L: Amodiaquine
PA_INFA

Docking Scores:
-8.36 -6.88 -6.78
Similarity Score:
30.83%
Best Match:
CHEMBL463590

L: Amodiaquine hydrochloride
PA_INFA

Docking Scores:
-8.12 -6.75 -7.10
Similarity Score:
30.83%
Best Match:
CHEMBL463590

L: Mefloquine
PA_INFA

Docking Scores:
-8.38 -7.86 -7.87
Similarity Score:
30.38%
Best Match:
CHEMBL2040554

L: Imatinib
PA_INFA

Docking Scores:
-10.22 -9.42 -8.83
Similarity Score:
33.80%
Best Match:
CHEMBL2040578