ligands in co-crystal #195 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: AMP-NSP3
SPIKE_MERs

Docking Scores:
-6.44 -6.53 -5.42
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
SPIKE_MERs

Docking Scores:
-6.55 -6.23 -5.21
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
SPIKE_MERs

Docking Scores:
-6.28 -5.79 -4.87
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
SPIKE_MERs

Docking Scores:
-6.11 -6.28 -4.62
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
SPIKE_MERs

Docking Scores:
-7.51 -6.40 -6.02
Similarity Score:
N/A
Best Match:
N/A

L: AMP-NSP3
SPIKE_MHV

Docking Scores:
-6.49
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
SPIKE_MHV

Docking Scores:
-6.84
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
SPIKE_MHV

Docking Scores:
-6.45
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
SPIKE_MHV

Docking Scores:
-6.93
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
SPIKE_MHV

Docking Scores:
-7.12
Similarity Score:
N/A
Best Match:
N/A

L: AMP-NSP3
SPIKE_PDCoV

Docking Scores:
-5.82
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
SPIKE_PDCoV

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

L: SCHEMBL17719237-RDRP
SPIKE_PDCoV

Docking Scores:
-5.81
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
SPIKE_PDCoV

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

L: GTPL10716-3CLPro
SPIKE_PDCoV

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

L: AMP-NSP3
SPIKE_SARS

Docking Scores:
-6.80 -6.80
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
SPIKE_SARS

Docking Scores:
-5.70 -7.16
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
SPIKE_SARS

Docking Scores:
-5.80 -6.91
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
SPIKE_SARS

Docking Scores:
-6.15 -5.87
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
SPIKE_SARS

Docking Scores:
-6.62 -7.16
Similarity Score:
N/A
Best Match:
N/A