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
NP_SARS

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

L: S-Adenosylmethionine-NSP16
NP_SARS

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

L: SCHEMBL17719237-RDRP
NP_SARS

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

L: MLN-4760-ACE2
NP_SARS

Docking Scores:
-6.81
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
NP_SARS

Docking Scores:
-6.87
Similarity Score:
N/A
Best Match:
N/A

L: AMP-NSP3
NS3_HCV1A

Docking Scores:
-7.87 -5.79 -7.13
Similarity Score:
61.50%
Best Match:
CHEMBL3696817

L: S-Adenosylmethionine-NSP16
NS3_HCV1A

Docking Scores:
-6.01 -5.81 -7.81
Similarity Score:
42.74%
Best Match:
CHEMBL3696817

L: SCHEMBL17719237-RDRP
NS3_HCV1A

Docking Scores:
-6.36 -5.81 -6.70
Similarity Score:
35.29%
Best Match:
CHEMBL3696819

L: MLN-4760-ACE2
NS3_HCV1A

Docking Scores:
-8.08 -5.56 -7.90
Similarity Score:
35.68%
Best Match:
CHEMBL4113993

L: GTPL10716-3CLPro
NS3_HCV1A

Docking Scores:
-6.18 -5.52 -6.80
Similarity Score:
41.44%
Best Match:
CHEMBL3955976

L: AMP-NSP3
NS3_HCV1B

Docking Scores:
-7.61 -7.65 -5.70
Similarity Score:
21.56%
Best Match:
CHEMBL3125634

L: S-Adenosylmethionine-NSP16
NS3_HCV1B

Docking Scores:
-5.81 -6.12 -5.55
Similarity Score:
22.70%
Best Match:
CHEMBL3125634

L: SCHEMBL17719237-RDRP
NS3_HCV1B

Docking Scores:
-6.77 -7.29 -5.73
Similarity Score:
24.52%
Best Match:
CHEMBL297884

L: MLN-4760-ACE2
NS3_HCV1B

Docking Scores:
-7.58 -5.45 -5.41
Similarity Score:
28.47%
Best Match:
CHEMBL1170417

L: GTPL10716-3CLPro
NS3_HCV1B

Docking Scores:
-8.95 -7.48 -6.40
Similarity Score:
38.72%
Best Match:
CHEMBL3954962

L: AMP-NSP3
NS3_HCV3A

Docking Scores:
-7.04 -6.98 -7.18
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
NS3_HCV3A

Docking Scores:
-6.19 -6.34 -6.58
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
NS3_HCV3A

Docking Scores:
-6.66 -6.84 -6.66
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
NS3_HCV3A

Docking Scores:
-6.51 -6.72 -6.38
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
NS3_HCV3A

Docking Scores:
-6.99 -7.60 -7.08
Similarity Score:
N/A
Best Match:
N/A