ligands in co-crystal #195 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: AMP-NSP3
NS5B_HCV1A

Docking Scores:
-7.04 -7.70 -7.44
Similarity Score:
23.08%
Best Match:
CHEMBL353549

L: S-Adenosylmethionine-NSP16
NS5B_HCV1A

Docking Scores:
-7.60 -6.99 -7.36
Similarity Score:
23.76%
Best Match:
CHEMBL3644940

L: SCHEMBL17719237-RDRP
NS5B_HCV1A

Docking Scores:
-7.69 -7.59 -7.29
Similarity Score:
29.15%
Best Match:
CHEMBL353549

L: MLN-4760-ACE2
NS5B_HCV1A

Docking Scores:
-7.45 -7.72 -7.73
Similarity Score:
39.21%
Best Match:
CHEMBL353549

L: GTPL10716-3CLPro
NS5B_HCV1A

Docking Scores:
-8.88 -9.07 -9.02
Similarity Score:
38.12%
Best Match:
CHEMBL348944

L: AMP-NSP3
NS5B_HCV1B

Docking Scores:
-6.74 -6.82 -6.81
Similarity Score:
33.83%
Best Match:
CHEMBL3970609

L: S-Adenosylmethionine-NSP16
NS5B_HCV1B

Docking Scores:
-7.09 -7.19 -7.26
Similarity Score:
23.69%
Best Match:
CHEMBL3645211

L: SCHEMBL17719237-RDRP
NS5B_HCV1B

Docking Scores:
-6.65 -7.17 -7.12
Similarity Score:
84.47%
Best Match:
CHEMBL4111989

L: MLN-4760-ACE2
NS5B_HCV1B

Docking Scores:
-7.50 -6.92 -7.27
Similarity Score:
30.24%
Best Match:
CHEMBL3645208

L: GTPL10716-3CLPro
NS5B_HCV1B

Docking Scores:
-8.36 -8.14 -7.43
Similarity Score:
27.57%
Best Match:
CHEMBL3645202

L: AMP-NSP3
NS5B_HCV2A

Docking Scores:
-8.28 -8.42
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
NS5B_HCV2A

Docking Scores:
-8.29 -7.50
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
NS5B_HCV2A

Docking Scores:
-8.32 -7.43
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
NS5B_HCV2A

Docking Scores:
-8.74 -8.64
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
NS5B_HCV2A

Docking Scores:
-9.74 -5.79
Similarity Score:
N/A
Best Match:
N/A

L: AMP-NSP3
NSP15_SARS

Docking Scores:
-7.01
Similarity Score:
17.19%
Best Match:
CHEMBL2441745

L: S-Adenosylmethionine-NSP16
NSP15_SARS

Docking Scores:
-5.87
Similarity Score:
18.94%
Best Match:
CHEMBL2441745

L: SCHEMBL17719237-RDRP
NSP15_SARS

Docking Scores:
-5.57
Similarity Score:
21.01%
Best Match:
CHEMBL2441741

L: MLN-4760-ACE2
NSP15_SARS

Docking Scores:
-6.10
Similarity Score:
30.16%
Best Match:
CHEMBL2441741

L: GTPL10716-3CLPro
NSP15_SARS

Docking Scores:
-6.41
Similarity Score:
38.24%
Best Match:
CHEMBL2441741