PSP-case study 1 #505 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:
-7.20 -7.01 -6.84
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:
-6.97
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:
-6.87
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:
-7.19
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:
-5.08
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:
-6.88
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:
-7.93 -7.53 -6.73
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:
-5.11
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:
-5.31
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:
-6.53
Similarity Score:
N/A
Best Match:
N/A