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
ACE2_HUMAN

Docking Scores:
-8.68
Similarity Score:
19.47%
Best Match:
CHEMBL429844

L: S-Adenosylmethionine-NSP16
ACE2_HUMAN

Docking Scores:
-8.03
Similarity Score:
21.65%
Best Match:
CHEMBL429844

L: SCHEMBL17719237-RDRP
ACE2_HUMAN

Docking Scores:
-7.96
Similarity Score:
29.02%
Best Match:
CHEMBL436639

L: MLN-4760-ACE2
ACE2_HUMAN

Docking Scores:
-8.37
Similarity Score:
100.00%
Best Match:
CHEMBL429844

L: GTPL10716-3CLPro
ACE2_HUMAN

Docking Scores:
-11.37
Similarity Score:
31.88%
Best Match:
CHEMBL261121

L: AMP-NSP3
GP160_HIV1

Docking Scores:
-6.08 -6.57 -6.04
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
GP160_HIV1

Docking Scores:
-6.88 -6.19 -5.96
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
GP160_HIV1

Docking Scores:
-6.23 -6.20 -5.66
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
GP160_HIV1

Docking Scores:
-5.72 -5.66 -5.72
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
GP160_HIV1

Docking Scores:
-7.54 -8.47 -7.64
Similarity Score:
N/A
Best Match:
N/A

L: AMP-NSP3
GP160_HIV2

Docking Scores:
-6.44
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
GP160_HIV2

Docking Scores:
-6.09
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
GP160_HIV2

Docking Scores:
-6.11
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
GP160_HIV2

Docking Scores:
-6.17
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
GP160_HIV2

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

L: AMP-NSP3
GP_EBOV

Docking Scores:
-6.62 -5.71 -6.52
Similarity Score:
19.40%
Best Match:
CHEMBL3125895

L: S-Adenosylmethionine-NSP16
GP_EBOV

Docking Scores:
-7.26 -6.08 -5.91
Similarity Score:
26.43%
Best Match:
CHEMBL3125897

L: SCHEMBL17719237-RDRP
GP_EBOV

Docking Scores:
-6.89 -5.19 -6.68
Similarity Score:
27.05%
Best Match:
CHEMBL3125895

L: MLN-4760-ACE2
GP_EBOV

Docking Scores:
-6.14 -6.26 -6.27
Similarity Score:
42.91%
Best Match:
CHEMBL3125895

L: GTPL10716-3CLPro
GP_EBOV

Docking Scores:
-8.47 -8.24 -7.89
Similarity Score:
30.74%
Best Match:
CHEMBL3125899