ligands in co-crystal #195 Output Download CSV

View All
 
  The docking scores are in the AutoDock Vina metric.
L: AMP-NSP3
NA_A-H7N9

Docking Scores:
-7.33 -7.80 -7.49
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
NA_A-H7N9

Docking Scores:
-7.47 -7.18 -7.67
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
NA_A-H7N9

Docking Scores:
-7.52 -6.89 -7.60
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
NA_A-H7N9

Docking Scores:
-6.99 -7.11 -7.05
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
NA_A-H7N9

Docking Scores:
-7.10 -8.05 -8.38
Similarity Score:
N/A
Best Match:
N/A

L: AMP-NSP3
NA_INFB

Docking Scores:
-7.98 -7.68
Similarity Score:
26.26%
Best Match:
CHEMBL183817

L: S-Adenosylmethionine-NSP16
NA_INFB

Docking Scores:
-7.40 -7.48
Similarity Score:
24.08%
Best Match:
CHEMBL183817

L: SCHEMBL17719237-RDRP
NA_INFB

Docking Scores:
-8.08 -7.26
Similarity Score:
23.35%
Best Match:
CHEMBL362993

L: MLN-4760-ACE2
NA_INFB

Docking Scores:
-7.19 -7.20
Similarity Score:
34.12%
Best Match:
CHEMBL195288

L: GTPL10716-3CLPro
NA_INFB

Docking Scores:
-7.90 -8.45
Similarity Score:
39.13%
Best Match:
CHEMBL113191

L: AMP-NSP3
NP_A-H1N1

Docking Scores:
-5.87 -5.44 -7.04
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
NP_A-H1N1

Docking Scores:
-5.22 -6.53 -6.65
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
NP_A-H1N1

Docking Scores:
-5.53 -6.24 -6.32
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
NP_A-H1N1

Docking Scores:
-6.02 -5.74 -5.57
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
NP_A-H1N1

Docking Scores:
-5.75 -6.45 -7.03
Similarity Score:
N/A
Best Match:
N/A

L: AMP-NSP3
NP_A-H5N1

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

L: S-Adenosylmethionine-NSP16
NP_A-H5N1

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

L: SCHEMBL17719237-RDRP
NP_A-H5N1

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

L: MLN-4760-ACE2
NP_A-H5N1

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

L: GTPL10716-3CLPro
NP_A-H5N1

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