vc1784 #326 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: 2 Coumarinate
PR_SARS

Docking Scores:
-5.12 -5.58 -4.93
Similarity Score:
17.91%
Best Match:
CHEMBL471187

L: Agapanthagenin
PR_SARS

Docking Scores:
-7.28 -6.91 -7.43
Similarity Score:
11.11%
Best Match:
CHEMBL1092796

L: 2 Coumarinate
PR_SARS2

Docking Scores:
-5.20
Similarity Score:
N/A
Best Match:
N/A

L: Agapanthagenin
PR_SARS2

Docking Scores:
-6.88
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
PR_TGEV

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

L: Agapanthagenin
PR_TGEV

Docking Scores:
-8.11
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
RDRP_SARS2

Docking Scores:
-5.74
Similarity Score:
10.22%
Best Match:
CHEMBL4065616

L: Agapanthagenin
RDRP_SARS2

Docking Scores:
-8.54
Similarity Score:
8.79%
Best Match:
CHEMBL4065616

L: 2 Coumarinate
RT_HIV1

Docking Scores:
-6.81 -6.87 -7.08
Similarity Score:
29.47%
Best Match:
CHEMBL3775172

L: Agapanthagenin
RT_HIV1

Docking Scores:
-6.71 -6.74 -6.98
Similarity Score:
40.98%
Best Match:
CHEMBL404519

L: 2 Coumarinate
SPIKE_HCoV-229E

Docking Scores:
-4.19
Similarity Score:
N/A
Best Match:
N/A

L: Agapanthagenin
SPIKE_HCoV-229E

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

L: 2 Coumarinate
SPIKE_HCoV-NL63

Docking Scores:
-4.46
Similarity Score:
N/A
Best Match:
N/A

L: Agapanthagenin
SPIKE_HCoV-NL63

Docking Scores:
-6.85
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
SPIKE_HCoV-OC43

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

L: Agapanthagenin
SPIKE_HCoV-OC43

Docking Scores:
-7.40
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
SPIKE_HKU4

Docking Scores:
-5.66
Similarity Score:
N/A
Best Match:
N/A

L: Agapanthagenin
SPIKE_HKU4

Docking Scores:
-8.07
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
SPIKE_IBV

Docking Scores:
-5.35
Similarity Score:
N/A
Best Match:
N/A

L: Agapanthagenin
SPIKE_IBV

Docking Scores:
-6.25
Similarity Score:
N/A
Best Match:
N/A