ligands in co-crystal #195 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: AMP-NSP3
MD_HKU4

Docking Scores:
-7.87 -7.42 -7.93
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
MD_HKU4

Docking Scores:
-7.75 -7.36 -7.39
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
MD_HKU4

Docking Scores:
-7.45 -6.99 -7.13
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
MD_HKU4

Docking Scores:
-7.93 -7.57 -7.89
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
MD_HKU4

Docking Scores:
-8.40 -8.19 -8.29
Similarity Score:
N/A
Best Match:
N/A

L: AMP-NSP3
MD_MERs

Docking Scores:
-8.05 -7.31
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
MD_MERs

Docking Scores:
-7.64 -7.25
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
MD_MERs

Docking Scores:
-7.59 -6.84
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
MD_MERs

Docking Scores:
-8.83 -7.56
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
MD_MERs

Docking Scores:
-8.76 -8.58
Similarity Score:
N/A
Best Match:
N/A

L: AMP-NSP3
MTASE_SARS2

Docking Scores:
-6.30
Similarity Score:
N/A
Best Match:
N/A

L: AMP-NSP3
MTASE_SARS2

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

L: S-Adenosylmethionine-NSP16
MTASE_SARS2

Docking Scores:
-6.02
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
MTASE_SARS2

Docking Scores:
-7.49
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
MTASE_SARS2

Docking Scores:
-6.12
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
MTASE_SARS2

Docking Scores:
-6.77
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
MTASE_SARS2

Docking Scores:
-5.68
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
MTASE_SARS2

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

L: GTPL10716-3CLPro
MTASE_SARS2

Docking Scores:
-6.98
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
MTASE_SARS2

Docking Scores:
-7.94
Similarity Score:
N/A
Best Match:
N/A