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
PR_MERs

Docking Scores:
-7.30 -7.41
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
PR_MERs

Docking Scores:
-6.41 -7.33
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
PR_MERs

Docking Scores:
-6.97 -6.95
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
PR_MERs

Docking Scores:
-7.03 -6.81
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
PR_MERs

Docking Scores:
-7.54 -7.39
Similarity Score:
N/A
Best Match:
N/A

L: AMP-NSP3
PR_PEDV

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

L: S-Adenosylmethionine-NSP16
PR_PEDV

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

L: SCHEMBL17719237-RDRP
PR_PEDV

Docking Scores:
-6.59
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
PR_PEDV

Docking Scores:
-6.18
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
PR_PEDV

Docking Scores:
-7.37
Similarity Score:
N/A
Best Match:
N/A

L: AMP-NSP3
PR_SARS

Docking Scores:
-6.94 -7.09 -7.18
Similarity Score:
17.19%
Best Match:
CHEMBL2441745

L: S-Adenosylmethionine-NSP16
PR_SARS

Docking Scores:
-6.75 -7.16 -6.94
Similarity Score:
18.94%
Best Match:
CHEMBL2441745

L: SCHEMBL17719237-RDRP
PR_SARS

Docking Scores:
-6.68 -6.80 -6.02
Similarity Score:
21.01%
Best Match:
CHEMBL2441741

L: MLN-4760-ACE2
PR_SARS

Docking Scores:
-6.82 -6.79 -6.74
Similarity Score:
30.16%
Best Match:
CHEMBL2441741

L: GTPL10716-3CLPro
PR_SARS

Docking Scores:
-7.76 -8.31 -8.03
Similarity Score:
38.24%
Best Match:
CHEMBL2441741

L: AMP-NSP3
PR_SARS2

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

L: S-Adenosylmethionine-NSP16
PR_SARS2

Docking Scores:
-7.00
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
PR_SARS2

Docking Scores:
-6.58
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
PR_SARS2

Docking Scores:
-7.15
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
PR_SARS2

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