vc17 #330 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: 2 Coumarinate
ACE2_HUMAN

Docking Scores:
-6.43
Similarity Score:
23.81%
Best Match:
CHEMBL253224

L: 3
ACE2_HUMAN

Docking Scores:
-4.21
Similarity Score:
8.54%
Best Match:
CHEMBL401086

L: 2
ACE2_HUMAN

Docking Scores:
-5.28
Similarity Score:
24.68%
Best Match:
CHEMBL254900

L: 2 Coumarinate
GP160_HIV1

Docking Scores:
-5.31 -7.16 -6.79
Similarity Score:
N/A
Best Match:
N/A

L: 3
GP160_HIV1

Docking Scores:
-3.61 -4.66 -4.44
Similarity Score:
N/A
Best Match:
N/A

L: 2
GP160_HIV1

Docking Scores:
-5.04 -5.11 -4.21
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
GP160_HIV2

Docking Scores:
-5.25
Similarity Score:
N/A
Best Match:
N/A

L: 3
GP160_HIV2

Docking Scores:
-4.04
Similarity Score:
N/A
Best Match:
N/A

L: 2
GP160_HIV2

Docking Scores:
-4.17
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
GP_EBOV

Docking Scores:
-5.36 -5.35 -5.89
Similarity Score:
10.92%
Best Match:
CHEMBL3125895

L: 3
GP_EBOV

Docking Scores:
-4.07 -4.07 -4.22
Similarity Score:
10.94%
Best Match:
CHEMBL112570

L: 2
GP_EBOV

Docking Scores:
-4.29 -3.96 -3.98
Similarity Score:
23.33%
Best Match:
CHEMBL3125897

L: 2 Coumarinate
HA_A-H10N7

Docking Scores:
-4.97
Similarity Score:
N/A
Best Match:
N/A

L: 3
HA_A-H10N7

Docking Scores:
-3.82
Similarity Score:
N/A
Best Match:
N/A

L: 2
HA_A-H10N7

Docking Scores:
-4.18
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
HA_A-H10N8

Docking Scores:
-5.11
Similarity Score:
N/A
Best Match:
N/A

L: 3
HA_A-H10N8

Docking Scores:
-3.40
Similarity Score:
N/A
Best Match:
N/A

L: 2
HA_A-H10N8

Docking Scores:
-4.12
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
HA_A-H13N6

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

L: 3
HA_A-H13N6

Docking Scores:
-3.56
Similarity Score:
N/A
Best Match:
N/A

L: 2
HA_A-H13N6

Docking Scores:
-4.28
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
HA_A-H14N6

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

L: 3
HA_A-H14N6

Docking Scores:
-3.35
Similarity Score:
N/A
Best Match:
N/A

L: 2
HA_A-H14N6

Docking Scores:
-4.30
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
HA_A-H15N9

Docking Scores:
-5.33
Similarity Score:
N/A
Best Match:
N/A

L: 3
HA_A-H15N9

Docking Scores:
-3.49
Similarity Score:
N/A
Best Match:
N/A

L: 2
HA_A-H15N9

Docking Scores:
-4.44
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
HA_A-H17N10

Docking Scores:
-4.34
Similarity Score:
N/A
Best Match:
N/A

L: 3
HA_A-H17N10

Docking Scores:
-3.21
Similarity Score:
N/A
Best Match:
N/A

L: 2
HA_A-H17N10

Docking Scores:
-4.40
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
HA_A-H18N11

Docking Scores:
-4.51
Similarity Score:
N/A
Best Match:
N/A

L: 3
HA_A-H18N11

Docking Scores:
-2.74
Similarity Score:
N/A
Best Match:
N/A

L: 2
HA_A-H18N11

Docking Scores:
-3.50
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
HA_A-H1N1

Docking Scores:
-5.47 -4.81
Similarity Score:
N/A
Best Match:
N/A

L: 3
HA_A-H1N1

Docking Scores:
-3.69 -3.43
Similarity Score:
N/A
Best Match:
N/A

L: 2
HA_A-H1N1

Docking Scores:
-4.20 -4.02
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
HA_A-H2N2

Docking Scores:
-5.23 -4.97
Similarity Score:
N/A
Best Match:
N/A

L: 3
HA_A-H2N2

Docking Scores:
-3.23 -3.44
Similarity Score:
N/A
Best Match:
N/A

L: 2
HA_A-H2N2

Docking Scores:
-4.08 -4.60
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
HA_A-H3N2

Docking Scores:
-5.10 -4.62 -4.56
Similarity Score:
N/A
Best Match:
N/A

L: 3
HA_A-H3N2

Docking Scores:
-3.38 -3.31 -3.26
Similarity Score:
N/A
Best Match:
N/A

L: 2
HA_A-H3N2

Docking Scores:
-4.27 -4.00 -3.95
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
HA_A-H3N8

Docking Scores:
-4.97 -5.02 -5.02
Similarity Score:
N/A
Best Match:
N/A

L: 3
HA_A-H3N8

Docking Scores:
-3.23 -3.34 -3.18
Similarity Score:
N/A
Best Match:
N/A

L: 2
HA_A-H3N8

Docking Scores:
-3.90 -4.07 -3.88
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
HA_A-H5N1

Docking Scores:
-5.70 -5.92 -5.43
Similarity Score:
N/A
Best Match:
N/A

L: 3
HA_A-H5N1

Docking Scores:
-3.77 -4.10 -3.92
Similarity Score:
N/A
Best Match:
N/A

L: 2
HA_A-H5N1

Docking Scores:
-4.18 -4.48 -4.40
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
HA_A-H5N3

Docking Scores:
-5.44 -5.27
Similarity Score:
N/A
Best Match:
N/A

L: 3
HA_A-H5N3

Docking Scores:
-3.92 -3.63
Similarity Score:
N/A
Best Match:
N/A

L: 2
HA_A-H5N3

Docking Scores:
-4.31 -4.32
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
HA_A-H6N1

Docking Scores:
-5.11
Similarity Score:
N/A
Best Match:
N/A

L: 3
HA_A-H6N1

Docking Scores:
-3.40
Similarity Score:
N/A
Best Match:
N/A

L: 2
HA_A-H6N1

Docking Scores:
-4.12
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
HA_A-H6N6

Docking Scores:
-5.00
Similarity Score:
N/A
Best Match:
N/A

L: 3
HA_A-H6N6

Docking Scores:
-3.39
Similarity Score:
N/A
Best Match:
N/A

L: 2
HA_A-H6N6

Docking Scores:
-4.40
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
HA_A-H7N2

Docking Scores:
-5.37 -4.45 -4.99
Similarity Score:
N/A
Best Match:
N/A

L: 3
HA_A-H7N2

Docking Scores:
-3.80 -3.18 -3.79
Similarity Score:
N/A
Best Match:
N/A

L: 2
HA_A-H7N2

Docking Scores:
-4.33 -3.86 -4.18
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
HA_A-H7N7

Docking Scores:
-4.95 -5.13
Similarity Score:
N/A
Best Match:
N/A

L: 3
HA_A-H7N7

Docking Scores:
-3.62 -3.52
Similarity Score:
N/A
Best Match:
N/A

L: 2
HA_A-H7N7

Docking Scores:
-4.06 -4.39
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
HA_A-H7N9

Docking Scores:
-4.78
Similarity Score:
N/A
Best Match:
N/A

L: 3
HA_A-H7N9

Docking Scores:
-3.50
Similarity Score:
N/A
Best Match:
N/A

L: 2
HA_A-H7N9

Docking Scores:
-4.22
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
HA_INFB

Docking Scores:
-4.94 -4.67
Similarity Score:
N/A
Best Match:
N/A

L: 3
HA_INFB

Docking Scores:
-3.54 -3.61
Similarity Score:
N/A
Best Match:
N/A

L: 2
HA_INFB

Docking Scores:
-4.04 -4.20
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
HA_INFD

Docking Scores:
-4.52
Similarity Score:
N/A
Best Match:
N/A

L: 3
HA_INFD

Docking Scores:
-3.59
Similarity Score:
N/A
Best Match:
N/A

L: 2
HA_INFD

Docking Scores:
-3.55
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
HE_BCV

Docking Scores:
-6.62 -5.92
Similarity Score:
N/A
Best Match:
N/A

L: 3
HE_BCV

Docking Scores:
-4.21 -3.99
Similarity Score:
N/A
Best Match:
N/A

L: 2
HE_BCV

Docking Scores:
-4.46 -4.28
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
HE_HCoV-OC43

Docking Scores:
-4.53
Similarity Score:
N/A
Best Match:
N/A

L: 3
HE_HCoV-OC43

Docking Scores:
-3.43
Similarity Score:
N/A
Best Match:
N/A

L: 2
HE_HCoV-OC43

Docking Scores:
-3.56
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
HE_MHV

Docking Scores:
-4.68
Similarity Score:
N/A
Best Match:
N/A

L: 3
HE_MHV

Docking Scores:
-3.34
Similarity Score:
N/A
Best Match:
N/A

L: 2
HE_MHV

Docking Scores:
-3.77
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
IN_HIV1

Docking Scores:
-4.72 -4.68
Similarity Score:
N/A
Best Match:
N/A

L: 3
IN_HIV1

Docking Scores:
-3.17 -3.25
Similarity Score:
N/A
Best Match:
N/A

L: 2
IN_HIV1

Docking Scores:
-3.14 -3.34
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
MD_HKU4

Docking Scores:
-6.83 -6.52 -6.49
Similarity Score:
N/A
Best Match:
N/A

L: 3
MD_HKU4

Docking Scores:
-4.71 -4.44 -4.46
Similarity Score:
N/A
Best Match:
N/A

L: 2
MD_HKU4

Docking Scores:
-5.07 -4.81 -4.91
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
MD_MERs

Docking Scores:
-6.87 -6.34
Similarity Score:
N/A
Best Match:
N/A

L: 3
MD_MERs

Docking Scores:
-4.77 -4.32
Similarity Score:
N/A
Best Match:
N/A

L: 2
MD_MERs

Docking Scores:
-5.00 -4.87
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
MTASE_SARS2

Docking Scores:
-5.58
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
MTASE_SARS2

Docking Scores:
-5.37
Similarity Score:
N/A
Best Match:
N/A

L: 3
MTASE_SARS2

Docking Scores:
-3.86
Similarity Score:
N/A
Best Match:
N/A

L: 3
MTASE_SARS2

Docking Scores:
-4.03
Similarity Score:
N/A
Best Match:
N/A

L: 2
MTASE_SARS2

Docking Scores:
-4.35
Similarity Score:
N/A
Best Match:
N/A

L: 2
MTASE_SARS2

Docking Scores:
-4.42
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
MX2_A-H5N1

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

L: 3
MX2_A-H5N1

Docking Scores:
-4.60
Similarity Score:
N/A
Best Match:
N/A

L: 2
MX2_A-H5N1

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

L: 2 Coumarinate
NA_A-H11N6

Docking Scores:
-6.16 -6.18 -5.88
Similarity Score:
N/A
Best Match:
N/A

L: 3
NA_A-H11N6

Docking Scores:
-4.03 -4.03 -3.98
Similarity Score:
N/A
Best Match:
N/A

L: 2
NA_A-H11N6

Docking Scores:
-4.62 -4.66 -4.57
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
NA_A-H11N9

Docking Scores:
-5.51 -6.26 -5.84
Similarity Score:
N/A
Best Match:
N/A

L: 3
NA_A-H11N9

Docking Scores:
-4.40 -4.24 -3.95
Similarity Score:
N/A
Best Match:
N/A

L: 2
NA_A-H11N9

Docking Scores:
-3.79 -4.54 -4.62
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
NA_A-H12N5

Docking Scores:
-6.58 -6.32 -6.23
Similarity Score:
N/A
Best Match:
N/A

L: 3
NA_A-H12N5

Docking Scores:
-4.17 -4.11 -4.07
Similarity Score:
N/A
Best Match:
N/A

L: 2
NA_A-H12N5

Docking Scores:
-4.97 -4.90 -5.00
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
NA_A-H13N9

Docking Scores:
-5.08
Similarity Score:
N/A
Best Match:
N/A

L: 3
NA_A-H13N9

Docking Scores:
-2.99
Similarity Score:
N/A
Best Match:
N/A

L: 2
NA_A-H13N9

Docking Scores:
-4.31
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
NA_A-H17N10

Docking Scores:
-5.26
Similarity Score:
N/A
Best Match:
N/A

L: 3
NA_A-H17N10

Docking Scores:
-3.58
Similarity Score:
N/A
Best Match:
N/A

L: 2
NA_A-H17N10

Docking Scores:
-4.09
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
NA_A-H18N11

Docking Scores:
-4.73
Similarity Score:
N/A
Best Match:
N/A

L: 3
NA_A-H18N11

Docking Scores:
-3.27
Similarity Score:
N/A
Best Match:
N/A

L: 2
NA_A-H18N11

Docking Scores:
-3.78
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
NA_A-H1N1

Docking Scores:
-6.79
Similarity Score:
N/A
Best Match:
N/A

L: 3
NA_A-H1N1

Docking Scores:
-4.02
Similarity Score:
N/A
Best Match:
N/A

L: 2
NA_A-H1N1

Docking Scores:
-4.59
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
NA_A-H2N2

Docking Scores:
-5.95 -5.70 -6.06
Similarity Score:
N/A
Best Match:
N/A

L: 3
NA_A-H2N2

Docking Scores:
-4.19 -3.90 -4.00
Similarity Score:
N/A
Best Match:
N/A

L: 2
NA_A-H2N2

Docking Scores:
-4.53 -4.70 -4.60
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
NA_A-H3N2

Docking Scores:
-4.96 -5.11
Similarity Score:
N/A
Best Match:
N/A

L: 3
NA_A-H3N2

Docking Scores:
-3.57 -3.57
Similarity Score:
N/A
Best Match:
N/A

L: 2
NA_A-H3N2

Docking Scores:
-3.58 -4.20
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
NA_A-H3N8

Docking Scores:
-5.52 -6.36 -5.84
Similarity Score:
N/A
Best Match:
N/A

L: 3
NA_A-H3N8

Docking Scores:
-3.77 -4.38 -4.01
Similarity Score:
N/A
Best Match:
N/A

L: 2
NA_A-H3N8

Docking Scores:
-4.57 -4.92 -4.84
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
NA_A-H5N1

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

L: 3
NA_A-H5N1

Docking Scores:
-4.30
Similarity Score:
N/A
Best Match:
N/A

L: 2
NA_A-H5N1

Docking Scores:
-4.99
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
NA_A-H7N9

Docking Scores:
-5.71 -5.79 -5.89
Similarity Score:
N/A
Best Match:
N/A

L: 3
NA_A-H7N9

Docking Scores:
-4.08 -3.91 -4.00
Similarity Score:
N/A
Best Match:
N/A

L: 2
NA_A-H7N9

Docking Scores:
-4.56 -4.49 -4.75
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
NA_INFB

Docking Scores:
-5.77 -6.03
Similarity Score:
20.28%
Best Match:
CHEMBL79499

L: 3
NA_INFB

Docking Scores:
-4.07 -3.97
Similarity Score:
6.67%
Best Match:
CHEMBL309419

L: 2
NA_INFB

Docking Scores:
-4.73 -4.93
Similarity Score:
14.55%
Best Match:
CHEMBL370047

L: 2 Coumarinate
NP_A-H1N1

Docking Scores:
-5.11 -5.73 -5.69
Similarity Score:
N/A
Best Match:
N/A

L: 3
NP_A-H1N1

Docking Scores:
-4.35 -3.84 -4.12
Similarity Score:
N/A
Best Match:
N/A

L: 2
NP_A-H1N1

Docking Scores:
-3.94 -4.50 -5.16
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
NP_A-H5N1

Docking Scores:
-5.95
Similarity Score:
N/A
Best Match:
N/A

L: 3
NP_A-H5N1

Docking Scores:
-4.48
Similarity Score:
N/A
Best Match:
N/A

L: 2
NP_A-H5N1

Docking Scores:
-4.57
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
NP_HCoV-NL63

Docking Scores:
-5.03
Similarity Score:
N/A
Best Match:
N/A

L: 3
NP_HCoV-NL63

Docking Scores:
-3.13
Similarity Score:
N/A
Best Match:
N/A

L: 2
NP_HCoV-NL63

Docking Scores:
-3.99
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
NP_HCoV-OC43

Docking Scores:
-6.51 -6.59 -6.15
Similarity Score:
9.09%
Best Match:
CHEMBL3233481

L: 3
NP_HCoV-OC43

Docking Scores:
-4.56 -4.32 -4.42
Similarity Score:
0.97%
Best Match:
CHEMBL3233481

L: 2
NP_HCoV-OC43

Docking Scores:
-4.48 -4.24 -4.43
Similarity Score:
7.84%
Best Match:
CHEMBL3233481

L: 2 Coumarinate
NP_INFB

Docking Scores:
-4.34
Similarity Score:
N/A
Best Match:
N/A

L: 3
NP_INFB

Docking Scores:
-2.66
Similarity Score:
N/A
Best Match:
N/A

L: 2
NP_INFB

Docking Scores:
-3.55
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
NP_INFD

Docking Scores:
-4.39
Similarity Score:
N/A
Best Match:
N/A

L: 3
NP_INFD

Docking Scores:
-3.48
Similarity Score:
N/A
Best Match:
N/A

L: 2
NP_INFD

Docking Scores:
-3.18
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
NP_SARS

Docking Scores:
-5.47
Similarity Score:
N/A
Best Match:
N/A

L: 3
NP_SARS

Docking Scores:
-4.22
Similarity Score:
N/A
Best Match:
N/A

L: 2
NP_SARS

Docking Scores:
-4.40
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
NS3_HCV1A

Docking Scores:
-5.35 -5.38 -6.08
Similarity Score:
21.30%
Best Match:
CHEMBL4107993

L: 3
NS3_HCV1A

Docking Scores:
-4.19 -4.04 -4.23
Similarity Score:
9.33%
Best Match:
CHEMBL3645714

L: 2
NS3_HCV1A

Docking Scores:
-4.96 -4.26 -4.26
Similarity Score:
18.06%
Best Match:
CHEMBL3645714

L: 2 Coumarinate
NS3_HCV1B

Docking Scores:
-6.00 -6.11 -5.56
Similarity Score:
14.93%
Best Match:
CHEMBL1170408

L: 3
NS3_HCV1B

Docking Scores:
-3.94 -3.83 -3.71
Similarity Score:
6.84%
Best Match:
CHEMBL1170408

L: 2
NS3_HCV1B

Docking Scores:
-4.33 -4.32 -4.48
Similarity Score:
10.85%
Best Match:
CHEMBL3927196

L: 2 Coumarinate
NS3_HCV3A

Docking Scores:
-5.92 -5.77 -5.60
Similarity Score:
N/A
Best Match:
N/A

L: 3
NS3_HCV3A

Docking Scores:
-3.61 -3.83 -3.67
Similarity Score:
N/A
Best Match:
N/A

L: 2
NS3_HCV3A

Docking Scores:
-4.69 -4.60 -4.49
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
NS5B_HCV1A

Docking Scores:
-6.13 -6.52 -6.42
Similarity Score:
21.37%
Best Match:
CHEMBL446360

L: 3
NS5B_HCV1A

Docking Scores:
-4.35 -4.46 -4.35
Similarity Score:
6.31%
Best Match:
CHEMBL3644921

L: 2
NS5B_HCV1A

Docking Scores:
-4.72 -4.69 -4.98
Similarity Score:
14.55%
Best Match:
CHEMBL13443

L: 2 Coumarinate
NS5B_HCV1B

Docking Scores:
-6.06 -6.72 -7.06
Similarity Score:
14.36%
Best Match:
CHEMBL3645203

L: 3
NS5B_HCV1B

Docking Scores:
-4.37 -4.43 -4.37
Similarity Score:
5.43%
Best Match:
CHEMBL3645212

L: 2
NS5B_HCV1B

Docking Scores:
-4.63 -4.54 -4.71
Similarity Score:
12.21%
Best Match:
CHEMBL3645212

L: 2 Coumarinate
NS5B_HCV2A

Docking Scores:
-6.91 -6.87
Similarity Score:
N/A
Best Match:
N/A

L: 3
NS5B_HCV2A

Docking Scores:
-4.85 -4.51
Similarity Score:
N/A
Best Match:
N/A

L: 2
NS5B_HCV2A

Docking Scores:
-5.07 -5.26
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
NSP15_SARS

Docking Scores:
-4.77
Similarity Score:
17.91%
Best Match:
CHEMBL471187

L: 3
NSP15_SARS

Docking Scores:
-3.46
Similarity Score:
8.60%
Best Match:
CHEMBL1092796

L: 2
NSP15_SARS

Docking Scores:
-3.98
Similarity Score:
9.18%
Best Match:
CHEMBL1092796

L: 2 Coumarinate
NSP15_SARS2

Docking Scores:
-5.67
Similarity Score:
N/A
Best Match:
N/A

L: 3
NSP15_SARS2

Docking Scores:
-3.64
Similarity Score:
N/A
Best Match:
N/A

L: 2
NSP15_SARS2

Docking Scores:
-4.34
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
NSP1_INFB

Docking Scores:
-4.34 -4.27
Similarity Score:
N/A
Best Match:
N/A

L: 3
NSP1_INFB

Docking Scores:
-3.65 -3.44
Similarity Score:
N/A
Best Match:
N/A

L: 2
NSP1_INFB

Docking Scores:
-3.15 -3.30
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
NSP1_SARS

Docking Scores:
-5.15
Similarity Score:
17.91%
Best Match:
CHEMBL471187

L: 3
NSP1_SARS

Docking Scores:
-3.38
Similarity Score:
8.60%
Best Match:
CHEMBL1092796

L: 2
NSP1_SARS

Docking Scores:
-4.12
Similarity Score:
9.18%
Best Match:
CHEMBL1092796

L: 2 Coumarinate
NSP3_HCoV-229E

Docking Scores:
-6.82
Similarity Score:
N/A
Best Match:
N/A

L: 3
NSP3_HCoV-229E

Docking Scores:
-4.38
Similarity Score:
N/A
Best Match:
N/A

L: 2
NSP3_HCoV-229E

Docking Scores:
-4.97
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
NSP3_IBV

Docking Scores:
-6.69
Similarity Score:
N/A
Best Match:
N/A

L: 3
NSP3_IBV

Docking Scores:
-4.47
Similarity Score:
N/A
Best Match:
N/A

L: 2
NSP3_IBV

Docking Scores:
-5.19
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
NSP3_MHV

Docking Scores:
-5.82
Similarity Score:
N/A
Best Match:
N/A

L: 3
NSP3_MHV

Docking Scores:
-4.25
Similarity Score:
N/A
Best Match:
N/A

L: 2
NSP3_MHV

Docking Scores:
-4.39
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
NSP3_SARS2

Docking Scores:
-5.80
Similarity Score:
N/A
Best Match:
N/A

L: 3
NSP3_SARS2

Docking Scores:
-3.92
Similarity Score:
N/A
Best Match:
N/A

L: 2
NSP3_SARS2

Docking Scores:
-4.62
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
NSP9_HCoV-229E

Docking Scores:
-5.76 -5.68
Similarity Score:
N/A
Best Match:
N/A

L: 3
NSP9_HCoV-229E

Docking Scores:
-4.29 -3.91
Similarity Score:
N/A
Best Match:
N/A

L: 2
NSP9_HCoV-229E

Docking Scores:
-4.11 -4.07
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
PA_A-H17N10

Docking Scores:
-5.34
Similarity Score:
N/A
Best Match:
N/A

L: 3
PA_A-H17N10

Docking Scores:
-3.44
Similarity Score:
N/A
Best Match:
N/A

L: 2
PA_A-H17N10

Docking Scores:
-4.20
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
PA_A-H1N1

Docking Scores:
-5.40 -5.88 -5.47
Similarity Score:
N/A
Best Match:
N/A

L: 3
PA_A-H1N1

Docking Scores:
-3.62 -4.12 -3.48
Similarity Score:
N/A
Best Match:
N/A

L: 2
PA_A-H1N1

Docking Scores:
-4.13 -4.41 -4.21
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
PA_A-H5N1

Docking Scores:
-5.80 -5.39 -5.88
Similarity Score:
N/A
Best Match:
N/A

L: 3
PA_A-H5N1

Docking Scores:
-3.63 -3.74 -3.92
Similarity Score:
N/A
Best Match:
N/A

L: 2
PA_A-H5N1

Docking Scores:
-4.61 -4.67 -4.63
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
PA_INFA

Docking Scores:
-6.88 -5.33 -5.38
Similarity Score:
35.71%
Best Match:
CHEMBL573638

L: 3
PA_INFA

Docking Scores:
-4.58 -3.42 -3.57
Similarity Score:
6.87%
Best Match:
CHEMBL278402

L: 2
PA_INFA

Docking Scores:
-4.36 -4.65 -4.35
Similarity Score:
11.50%
Best Match:
CHEMBL2040552

L: 2 Coumarinate
PA_INFB

Docking Scores:
-5.33
Similarity Score:
N/A
Best Match:
N/A

L: 3
PA_INFB

Docking Scores:
-3.74
Similarity Score:
N/A
Best Match:
N/A

L: 2
PA_INFB

Docking Scores:
-4.04
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
PB2_A-H3N2

Docking Scores:
-5.46 -5.79
Similarity Score:
N/A
Best Match:
N/A

L: 3
PB2_A-H3N2

Docking Scores:
-4.10 -4.53
Similarity Score:
N/A
Best Match:
N/A

L: 2
PB2_A-H3N2

Docking Scores:
-4.25 -4.61
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
PB2_A-H5N1

Docking Scores:
-5.68 -5.98 -5.88
Similarity Score:
N/A
Best Match:
N/A

L: 3
PB2_A-H5N1

Docking Scores:
-4.30 -4.09 -4.29
Similarity Score:
N/A
Best Match:
N/A

L: 2
PB2_A-H5N1

Docking Scores:
-4.46 -4.21 -4.43
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
PB2_INFB

Docking Scores:
-6.14
Similarity Score:
N/A
Best Match:
N/A

L: 3
PB2_INFB

Docking Scores:
-3.80
Similarity Score:
N/A
Best Match:
N/A

L: 2
PB2_INFB

Docking Scores:
-4.15
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
PB3_A-H3N2

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

L: 3
PB3_A-H3N2

Docking Scores:
-4.52
Similarity Score:
N/A
Best Match:
N/A

L: 2
PB3_A-H3N2

Docking Scores:
-4.57
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
PB4_A-H3N2

Docking Scores:
-5.48
Similarity Score:
N/A
Best Match:
N/A

L: 3
PB4_A-H3N2

Docking Scores:
-3.93
Similarity Score:
N/A
Best Match:
N/A

L: 2
PB4_A-H3N2

Docking Scores:
-3.96
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
PLP_SARS

Docking Scores:
-6.73 -6.83 -6.69
Similarity Score:
23.71%
Best Match:
CHEMBL212454

L: 3
PLP_SARS

Docking Scores:
-4.22 -4.30 -4.20
Similarity Score:
6.42%
Best Match:
CHEMBL212454

L: 2
PLP_SARS

Docking Scores:
-4.85 -5.21 -5.07
Similarity Score:
14.02%
Best Match:
CHEMBL212454

L: 2 Coumarinate
PLP_SARS2

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

L: 3
PLP_SARS2

Docking Scores:
-3.55
Similarity Score:
N/A
Best Match:
N/A

L: 2
PLP_SARS2

Docking Scores:
-4.23
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
PR_FCoV

Docking Scores:
-4.91
Similarity Score:
N/A
Best Match:
N/A

L: 3
PR_FCoV

Docking Scores:
-3.89
Similarity Score:
N/A
Best Match:
N/A

L: 2
PR_FCoV

Docking Scores:
-3.96
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
PR_HCoV-229E

Docking Scores:
-4.93 -4.89
Similarity Score:
N/A
Best Match:
N/A

L: 3
PR_HCoV-229E

Docking Scores:
-3.71 -3.47
Similarity Score:
N/A
Best Match:
N/A

L: 2
PR_HCoV-229E

Docking Scores:
-3.91 -4.07
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
PR_HCoV-NL63

Docking Scores:
-4.41 -5.33
Similarity Score:
N/A
Best Match:
N/A

L: 3
PR_HCoV-NL63

Docking Scores:
-3.30 -3.77
Similarity Score:
N/A
Best Match:
N/A

L: 2
PR_HCoV-NL63

Docking Scores:
-3.50 -4.19
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
PR_HIV1

Docking Scores:
-4.83 -5.09 -5.25
Similarity Score:
13.71%
Best Match:
CHEMBL3645124

L: 3
PR_HIV1

Docking Scores:
-3.51 -3.67 -3.68
Similarity Score:
3.78%
Best Match:
CHEMBL450294

L: 2
PR_HIV1

Docking Scores:
-3.59 -4.26 -4.00
Similarity Score:
10.64%
Best Match:
CHEMBL449291

L: 2 Coumarinate
PR_HIV2

Docking Scores:
-5.96 -4.73
Similarity Score:
N/A
Best Match:
N/A

L: 3
PR_HIV2

Docking Scores:
-4.01 -3.43
Similarity Score:
N/A
Best Match:
N/A

L: 2
PR_HIV2

Docking Scores:
-4.46 -3.84
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
PR_HKU1

Docking Scores:
-5.12
Similarity Score:
N/A
Best Match:
N/A

L: 3
PR_HKU1

Docking Scores:
-3.70
Similarity Score:
N/A
Best Match:
N/A

L: 2
PR_HKU1

Docking Scores:
-3.99
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
PR_HKU4

Docking Scores:
-4.99 -5.49 -5.32
Similarity Score:
N/A
Best Match:
N/A

L: 3
PR_HKU4

Docking Scores:
-3.51 -3.91 -3.76
Similarity Score:
N/A
Best Match:
N/A

L: 2
PR_HKU4

Docking Scores:
-3.93 -4.04 -4.22
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
PR_IBV

Docking Scores:
-5.04
Similarity Score:
N/A
Best Match:
N/A

L: 3
PR_IBV

Docking Scores:
-3.55
Similarity Score:
N/A
Best Match:
N/A

L: 2
PR_IBV

Docking Scores:
-3.90
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
PR_MERs

Docking Scores:
-5.75 -5.73
Similarity Score:
N/A
Best Match:
N/A

L: 3
PR_MERs

Docking Scores:
-3.86 -3.70
Similarity Score:
N/A
Best Match:
N/A

L: 2
PR_MERs

Docking Scores:
-4.13 -4.15
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
PR_PEDV

Docking Scores:
-5.16
Similarity Score:
N/A
Best Match:
N/A

L: 3
PR_PEDV

Docking Scores:
-4.00
Similarity Score:
N/A
Best Match:
N/A

L: 2
PR_PEDV

Docking Scores:
-4.24
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
PR_SARS

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

L: 3
PR_SARS

Docking Scores:
-3.32 -3.48 -3.47
Similarity Score:
8.60%
Best Match:
CHEMBL1092796

L: 2
PR_SARS

Docking Scores:
-3.99 -4.51 -4.19
Similarity Score:
9.18%
Best Match:
CHEMBL1092796

L: 2 Coumarinate
PR_SARS2

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

L: 3
PR_SARS2

Docking Scores:
-3.23
Similarity Score:
N/A
Best Match:
N/A

L: 2
PR_SARS2

Docking Scores:
-4.11
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: 3
PR_TGEV

Docking Scores:
-3.91
Similarity Score:
N/A
Best Match:
N/A

L: 2
PR_TGEV

Docking Scores:
-4.13
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: 3
RDRP_SARS2

Docking Scores:
-3.60
Similarity Score:
3.83%
Best Match:
CHEMBL4065616

L: 2
RDRP_SARS2

Docking Scores:
-4.69
Similarity Score:
8.96%
Best Match:
CHEMBL4065616

L: 2 Coumarinate
RT_HIV1

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

L: 3
RT_HIV1

Docking Scores:
-5.03 -5.09 -5.23
Similarity Score:
9.42%
Best Match:
CHEMBL4225441

L: 2
RT_HIV1

Docking Scores:
-5.21 -5.02 -5.48
Similarity Score:
18.80%
Best Match:
CHEMBL4225028

L: 2 Coumarinate
SPIKE_HCoV-229E

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

L: 3
SPIKE_HCoV-229E

Docking Scores:
-2.62
Similarity Score:
N/A
Best Match:
N/A

L: 2
SPIKE_HCoV-229E

Docking Scores:
-3.38
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: 3
SPIKE_HCoV-NL63

Docking Scores:
-3.20
Similarity Score:
N/A
Best Match:
N/A

L: 2
SPIKE_HCoV-NL63

Docking Scores:
-3.20
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: 3
SPIKE_HCoV-OC43

Docking Scores:
-3.74
Similarity Score:
N/A
Best Match:
N/A

L: 2
SPIKE_HCoV-OC43

Docking Scores:
-3.85
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: 3
SPIKE_HKU4

Docking Scores:
-3.72
Similarity Score:
N/A
Best Match:
N/A

L: 2
SPIKE_HKU4

Docking Scores:
-4.50
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: 3
SPIKE_IBV

Docking Scores:
-3.73
Similarity Score:
N/A
Best Match:
N/A

L: 2
SPIKE_IBV

Docking Scores:
-3.70
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
SPIKE_MERs

Docking Scores:
-5.39 -5.42 -4.62
Similarity Score:
N/A
Best Match:
N/A

L: 3
SPIKE_MERs

Docking Scores:
-3.46 -3.25 -2.78
Similarity Score:
N/A
Best Match:
N/A

L: 2
SPIKE_MERs

Docking Scores:
-4.64 -4.13 -3.44
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
SPIKE_MHV

Docking Scores:
-5.51
Similarity Score:
N/A
Best Match:
N/A

L: 3
SPIKE_MHV

Docking Scores:
-3.58
Similarity Score:
N/A
Best Match:
N/A

L: 2
SPIKE_MHV

Docking Scores:
-4.03
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
SPIKE_PDCoV

Docking Scores:
-5.25
Similarity Score:
N/A
Best Match:
N/A

L: 3
SPIKE_PDCoV

Docking Scores:
-3.60
Similarity Score:
N/A
Best Match:
N/A

L: 2
SPIKE_PDCoV

Docking Scores:
-3.80
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
SPIKE_SARS

Docking Scores:
-4.92 -5.68
Similarity Score:
N/A
Best Match:
N/A

L: 3
SPIKE_SARS

Docking Scores:
-3.54 -3.80
Similarity Score:
N/A
Best Match:
N/A

L: 2
SPIKE_SARS

Docking Scores:
-3.74 -4.49
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
SPIKE_SARS2

Docking Scores:
-4.71 -4.91 -4.63
Similarity Score:
N/A
Best Match:
N/A

L: 3
SPIKE_SARS2

Docking Scores:
-3.45 -3.43 -3.70
Similarity Score:
N/A
Best Match:
N/A

L: 2
SPIKE_SARS2

Docking Scores:
-3.83 -3.57 -3.41
Similarity Score:
N/A
Best Match:
N/A