PSP case study #520 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Remdesivir
ACE2_HUMAN

Docking Scores:
-10.03
Similarity Score:
27.45%
Best Match:
CHEMBL436639

L: Remdesivir triphosphate
ACE2_HUMAN

Docking Scores:
-8.95
Similarity Score:
27.93%
Best Match:
CHEMBL436639

L: Remdesivir
CAPSD_9CALI

Docking Scores:
-7.69 -7.16 -8.30
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
CAPSD_9CALI

Docking Scores:
-7.07 -6.35 -7.51
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
CAPSD_9ENTO

Docking Scores:
-7.42
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
CAPSD_9ENTO

Docking Scores:
-9.50
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
CAPSD_DEN2P

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

L: Remdesivir triphosphate
CAPSD_DEN2P

Docking Scores:
-5.46
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
CAPSD_HCV77

Docking Scores:
-5.24
Similarity Score:
50.17%
Best Match:
CHEMBL3696815

L: Remdesivir triphosphate
CAPSD_HCV77

Docking Scores:
-4.07
Similarity Score:
33.85%
Best Match:
CHEMBL3696819

L: Remdesivir
CAPSD_HED68

Docking Scores:
-8.94 -9.98
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
CAPSD_HED68

Docking Scores:
-7.29 -7.59
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
CAPSD_ZIKV

Docking Scores:
-6.39 -6.55
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
CAPSD_ZIKV

Docking Scores:
-4.97 -5.42
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
DPM_HHV1K

Docking Scores:
-9.08
Similarity Score:
22.85%
Best Match:
CHEMBL479371

L: Remdesivir triphosphate
DPM_HHV1K

Docking Scores:
-6.63
Similarity Score:
22.85%
Best Match:
CHEMBL479371

L: Remdesivir
E1_9HEPC

Docking Scores:
-5.85
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
E1_9HEPC

Docking Scores:
-4.32
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
E1_HCV77

Docking Scores:
-4.01
Similarity Score:
50.17%
Best Match:
CHEMBL3696815

L: Remdesivir triphosphate
E1_HCV77

Docking Scores:
-3.14
Similarity Score:
33.85%
Best Match:
CHEMBL3696819