Case-8.29.23 #513 Output Download CSV

View All
Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Remdesivir
PR_SARS

Docking Scores:
-7.19 -7.01 -7.28
Similarity Score:
18.75%
Best Match:
CHEMBL2441745

L: Remdesivir Triphosphate
PR_SARS

Docking Scores:
-6.27 -6.99 -7.41
Similarity Score:
20.15%
Best Match:
CHEMBL2441741

L: Remdesivir
PR_SARS2

Docking Scores:
-7.99
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir Triphosphate
PR_SARS2

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

L: Remdesivir
PR_TGEV

Docking Scores:
-7.35
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir Triphosphate
PR_TGEV

Docking Scores:
-6.99
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
P_9CALI

Docking Scores:
-7.55
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir Triphosphate
P_9CALI

Docking Scores:
-6.68
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
P_NVN68

Docking Scores:
-5.90
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir Triphosphate
P_NVN68

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

L: Remdesivir
RDRP_SARS2

Docking Scores:
-6.24
Similarity Score:
100.00%
Best Match:
CHEMBL4065616

L: Remdesivir Triphosphate
RDRP_SARS2

Docking Scores:
-7.46
Similarity Score:
72.63%
Best Match:
CHEMBL4065616

L: Remdesivir
RT_HIV1

Docking Scores:
-8.97 -9.30 -8.71
Similarity Score:
28.68%
Best Match:
CHEMBL4108778

L: Remdesivir Triphosphate
RT_HIV1

Docking Scores:
-8.12 -7.94 -7.31
Similarity Score:
29.53%
Best Match:
CHEMBL4110544

L: Remdesivir
SPIKE_HCoV-229E

Docking Scores:
-5.35
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir Triphosphate
SPIKE_HCoV-229E

Docking Scores:
-5.02
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
SPIKE_HCoV-NL63

Docking Scores:
-4.96
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir Triphosphate
SPIKE_HCoV-NL63

Docking Scores:
-4.77
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
SPIKE_HCoV-OC43

Docking Scores:
-7.52
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir Triphosphate
SPIKE_HCoV-OC43

Docking Scores:
-6.41
Similarity Score:
N/A
Best Match:
N/A