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
NSP15_SARS2

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

L: S-Adenosylmethionine-NSP16
NSP15_SARS2

Docking Scores:
-6.48
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
NSP15_SARS2

Docking Scores:
-5.99
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
NSP15_SARS2

Docking Scores:
-6.87
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
NSP15_SARS2

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

L: AMP-NSP3
NSP1_INFB

Docking Scores:
-4.95 -5.46
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
NSP1_INFB

Docking Scores:
-4.72 -5.03
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
NSP1_INFB

Docking Scores:
-4.66 -5.54
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
NSP1_INFB

Docking Scores:
-5.18 -5.20
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
NSP1_INFB

Docking Scores:
-5.50 -5.76
Similarity Score:
N/A
Best Match:
N/A

L: AMP-NSP3
NSP1_SARS

Docking Scores:
-6.21
Similarity Score:
17.19%
Best Match:
CHEMBL2441745

L: S-Adenosylmethionine-NSP16
NSP1_SARS

Docking Scores:
-5.84
Similarity Score:
18.94%
Best Match:
CHEMBL2441745

L: SCHEMBL17719237-RDRP
NSP1_SARS

Docking Scores:
-5.65
Similarity Score:
21.01%
Best Match:
CHEMBL2441741

L: MLN-4760-ACE2
NSP1_SARS

Docking Scores:
-5.66
Similarity Score:
30.16%
Best Match:
CHEMBL2441741

L: GTPL10716-3CLPro
NSP1_SARS

Docking Scores:
-5.37
Similarity Score:
38.24%
Best Match:
CHEMBL2441741

L: AMP-NSP3
NSP3_HCoV-229E

Docking Scores:
-8.35
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
NSP3_HCoV-229E

Docking Scores:
-8.03
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
NSP3_HCoV-229E

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

L: MLN-4760-ACE2
NSP3_HCoV-229E

Docking Scores:
-8.68
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
NSP3_HCoV-229E

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