ligands in co-crystal #195 Output Download CSV

View All
Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: AMP-NSP3
PR_TGEV

Docking Scores:
-6.59
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
PR_TGEV

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

L: SCHEMBL17719237-RDRP
PR_TGEV

Docking Scores:
-5.85
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
PR_TGEV

Docking Scores:
-6.47
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
PR_TGEV

Docking Scores:
-7.46
Similarity Score:
N/A
Best Match:
N/A

L: AMP-NSP3
RDRP_SARS2

Docking Scores:
-7.33
Similarity Score:
32.55%
Best Match:
CHEMBL4065616

L: S-Adenosylmethionine-NSP16
RDRP_SARS2

Docking Scores:
-7.12
Similarity Score:
26.09%
Best Match:
CHEMBL4065616

L: SCHEMBL17719237-RDRP
RDRP_SARS2

Docking Scores:
-6.23
Similarity Score:
76.74%
Best Match:
CHEMBL4065616

L: MLN-4760-ACE2
RDRP_SARS2

Docking Scores:
-6.29
Similarity Score:
19.94%
Best Match:
CHEMBL4065616

L: GTPL10716-3CLPro
RDRP_SARS2

Docking Scores:
-6.47
Similarity Score:
17.31%
Best Match:
CHEMBL4065616

L: AMP-NSP3
RT_HIV1

Docking Scores:
-8.18 -7.10 -7.75
Similarity Score:
24.40%
Best Match:
CHEMBL4288759

L: S-Adenosylmethionine-NSP16
RT_HIV1

Docking Scores:
-7.47 -7.26 -7.24
Similarity Score:
23.74%
Best Match:
CHEMBL4288759

L: SCHEMBL17719237-RDRP
RT_HIV1

Docking Scores:
-8.56 -7.17 -7.76
Similarity Score:
29.11%
Best Match:
CHEMBL4110544

L: MLN-4760-ACE2
RT_HIV1

Docking Scores:
-8.72 -8.67 -8.58
Similarity Score:
38.24%
Best Match:
CHEMBL3943252

L: GTPL10716-3CLPro
RT_HIV1

Docking Scores:
-9.50 -8.08 -8.08
Similarity Score:
35.96%
Best Match:
CHEMBL4225865

L: AMP-NSP3
SPIKE_HCoV-229E

Docking Scores:
-4.75
Similarity Score:
N/A
Best Match:
N/A

L: S-Adenosylmethionine-NSP16
SPIKE_HCoV-229E

Docking Scores:
-4.93
Similarity Score:
N/A
Best Match:
N/A

L: SCHEMBL17719237-RDRP
SPIKE_HCoV-229E

Docking Scores:
-4.58
Similarity Score:
N/A
Best Match:
N/A

L: MLN-4760-ACE2
SPIKE_HCoV-229E

Docking Scores:
-5.38
Similarity Score:
N/A
Best Match:
N/A

L: GTPL10716-3CLPro
SPIKE_HCoV-229E

Docking Scores:
-4.69
Similarity Score:
N/A
Best Match:
N/A