ligands in co-crystal #195 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: AMP-NSP3
HA_A-H2N2

Docking Scores:
-6.27 -6.12
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
HA_A-H2N2

Docking Scores:
-5.80 -5.48
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
HA_A-H2N2

Docking Scores:
-5.87 -6.86
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
HA_A-H2N2

Docking Scores:
-5.50 -5.87
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
HA_A-H2N2

Docking Scores:
-6.49 -6.24
Similarity Score:
N/A
Best Match:
N/A

L: AMP-NSP3
HA_A-H3N2

Docking Scores:
-6.86 -5.78 -5.87
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
HA_A-H3N2

Docking Scores:
-6.01 -5.96 -6.19
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
HA_A-H3N2

Docking Scores:
-5.91 -5.86 -5.61
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
HA_A-H3N2

Docking Scores:
-6.22 -6.01 -6.03
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
HA_A-H3N2

Docking Scores:
-6.55 -6.98 -6.51
Similarity Score:
N/A
Best Match:
N/A

L: AMP-NSP3
HA_A-H3N8

Docking Scores:
-5.61 -6.07 -5.70
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
HA_A-H3N8

Docking Scores:
-5.36 -5.77 -5.71
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
HA_A-H3N8

Docking Scores:
-5.64 -6.00 -5.56
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
HA_A-H3N8

Docking Scores:
-5.54 -5.04 -5.48
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
HA_A-H3N8

Docking Scores:
-6.03 -5.75 -6.06
Similarity Score:
N/A
Best Match:
N/A

L: AMP-NSP3
HA_A-H5N1

Docking Scores:
-6.12 -6.46 -6.26
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
HA_A-H5N1

Docking Scores:
-5.69 -6.70 -6.05
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
HA_A-H5N1

Docking Scores:
-6.02 -5.95 -6.05
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
HA_A-H5N1

Docking Scores:
-6.11 -6.18 -6.64
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
HA_A-H5N1

Docking Scores:
-7.19 -6.69 -6.54
Similarity Score:
N/A
Best Match:
N/A