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_FCoV

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

L: S-Adenosylmethionine-NSP16
PR_FCoV

Docking Scores:
-6.69
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
PR_FCoV

Docking Scores:
-6.85
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
PR_FCoV

Docking Scores:
-5.95
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
PR_FCoV

Docking Scores:
-7.52
Similarity Score:
N/A
Best Match:
N/A

L: AMP-NSP3
PR_HCoV-229E

Docking Scores:
-6.73 -6.71
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
PR_HCoV-229E

Docking Scores:
-6.36 -6.70
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
PR_HCoV-229E

Docking Scores:
-6.19 -6.23
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
PR_HCoV-229E

Docking Scores:
-6.81 -6.04
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
PR_HCoV-229E

Docking Scores:
-8.13 -6.96
Similarity Score:
N/A
Best Match:
N/A

L: AMP-NSP3
PR_HCoV-NL63

Docking Scores:
-4.59 -7.25
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
PR_HCoV-NL63

Docking Scores:
-4.77 -7.05
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
PR_HCoV-NL63

Docking Scores:
-4.31 -6.71
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
PR_HCoV-NL63

Docking Scores:
-4.56 -6.81
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
PR_HCoV-NL63

Docking Scores:
-4.64 -7.22
Similarity Score:
N/A
Best Match:
N/A

L: AMP-NSP3
PR_HIV1

Docking Scores:
-5.73 -6.21 -6.06
Similarity Score:
26.20%
Best Match:
CHEMBL3645129

L: S-Adenosylmethionine-NSP16
PR_HIV1

Docking Scores:
-5.45 -6.15 -5.66
Similarity Score:
28.10%
Best Match:
CHEMBL449291

L: SCHEMBL17719237-RDRP
PR_HIV1

Docking Scores:
-5.22 -6.04 -6.08
Similarity Score:
25.09%
Best Match:
CHEMBL510485

L: MLN-4760-ACE2
PR_HIV1

Docking Scores:
-5.91 -5.74 -6.21
Similarity Score:
26.34%
Best Match:
CHEMBL494500

L: GTPL10716-3CLPro
PR_HIV1

Docking Scores:
-6.26 -7.05 -7.45
Similarity Score:
21.13%
Best Match:
CHEMBL3645129