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
PB3_A-H3N2

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

L: S-Adenosylmethionine-NSP16
PB3_A-H3N2

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

L: SCHEMBL17719237-RDRP
PB3_A-H3N2

Docking Scores:
-6.03
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
PB3_A-H3N2

Docking Scores:
-7.66
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
PB3_A-H3N2

Docking Scores:
-7.11
Similarity Score:
N/A
Best Match:
N/A

L: AMP-NSP3
PB4_A-H3N2

Docking Scores:
-6.79
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
PB4_A-H3N2

Docking Scores:
-6.74
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
PB4_A-H3N2

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

L: MLN-4760-ACE2
PB4_A-H3N2

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

L: GTPL10716-3CLPro
PB4_A-H3N2

Docking Scores:
-8.09
Similarity Score:
N/A
Best Match:
N/A

L: AMP-NSP3
PLP_SARS

Docking Scores:
-7.96 -8.23 -7.64
Similarity Score:
20.28%
Best Match:
CHEMBL213054

L: S-Adenosylmethionine-NSP16
PLP_SARS

Docking Scores:
-7.42 -7.73 -8.60
Similarity Score:
22.02%
Best Match:
CHEMBL213054

L: SCHEMBL17719237-RDRP
PLP_SARS

Docking Scores:
-7.29 -8.32 -8.18
Similarity Score:
23.60%
Best Match:
CHEMBL225515

L: MLN-4760-ACE2
PLP_SARS

Docking Scores:
-7.68 -8.10 -7.95
Similarity Score:
27.37%
Best Match:
CHEMBL358279

L: GTPL10716-3CLPro
PLP_SARS

Docking Scores:
-8.86 -8.74 -9.05
Similarity Score:
62.30%
Best Match:
CHEMBL213543

L: AMP-NSP3
PLP_SARS2

Docking Scores:
-6.42
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
PLP_SARS2

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

L: SCHEMBL17719237-RDRP
PLP_SARS2

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

L: MLN-4760-ACE2
PLP_SARS2

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

L: GTPL10716-3CLPro
PLP_SARS2

Docking Scores:
-5.72
Similarity Score:
N/A
Best Match:
N/A