ligands in co-crystal #195 Output Download CSV

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  The docking scores are in the AutoDock Vina metric.
L: AMP-NSP3
PA_A-H17N10

Docking Scores:
-7.17
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
PA_A-H17N10

Docking Scores:
-7.77
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
PA_A-H17N10

Docking Scores:
-7.01
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
PA_A-H17N10

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

L: GTPL10716-3CLPro
PA_A-H17N10

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

L: AMP-NSP3
PA_A-H1N1

Docking Scores:
-7.02 -7.35 -7.12
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
PA_A-H1N1

Docking Scores:
-7.41 -7.17 -7.71
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
PA_A-H1N1

Docking Scores:
-6.86 -6.75 -6.62
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
PA_A-H1N1

Docking Scores:
-7.13 -7.05 -7.43
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
PA_A-H1N1

Docking Scores:
-8.47 -8.94 -8.43
Similarity Score:
N/A
Best Match:
N/A

L: AMP-NSP3
PA_A-H5N1

Docking Scores:
-7.41 -7.02 -7.65
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
PA_A-H5N1

Docking Scores:
-7.78 -7.83 -7.72
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
PA_A-H5N1

Docking Scores:
-7.25 -7.27 -7.56
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
PA_A-H5N1

Docking Scores:
-7.06 -7.61 -7.53
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
PA_A-H5N1

Docking Scores:
-8.70 -7.62 -8.74
Similarity Score:
N/A
Best Match:
N/A

L: AMP-NSP3
PA_INFA

Docking Scores:
-7.25 -6.92 -7.56
Similarity Score:
17.92%
Best Match:
CHEMBL2040569

L: S-Adenosylmethionine-NSP16
PA_INFA

Docking Scores:
-7.45 -7.77 -7.75
Similarity Score:
17.72%
Best Match:
CHEMBL2040578

L: SCHEMBL17719237-RDRP
PA_INFA

Docking Scores:
-6.96 -6.52 -6.95
Similarity Score:
22.90%
Best Match:
CHEMBL2443239

L: MLN-4760-ACE2
PA_INFA

Docking Scores:
-7.36 -7.12 -6.87
Similarity Score:
30.99%
Best Match:
CHEMBL463590

L: GTPL10716-3CLPro
PA_INFA

Docking Scores:
-8.42 -7.60 -8.47
Similarity Score:
32.49%
Best Match:
CHEMBL2040586