CB2_compounds #193 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: WIN55212-2
ACE2_HUMAN

Docking Scores:
-11.29
Similarity Score:
35.82%
Best Match:
CHEMBL1240682

L: PY1-61
ACE2_HUMAN

Docking Scores:
-9.92
Similarity Score:
36.97%
Best Match:
CHEMBL437595

L: PY2-64
ACE2_HUMAN

Docking Scores:
-9.17
Similarity Score:
23.49%
Best Match:
CHEMBL251804

L: WIN55212-2
GP160_HIV1

Docking Scores:
-6.99 -7.52 -7.01
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
GP160_HIV1

Docking Scores:
-7.21 -7.11 -7.63
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
GP160_HIV1

Docking Scores:
-6.64 -7.09 -6.52
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
GP160_HIV2

Docking Scores:
-8.05
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
GP160_HIV2

Docking Scores:
-6.92
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
GP160_HIV2

Docking Scores:
-6.00
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
GP_EBOV

Docking Scores:
-8.83 -8.67 -9.02
Similarity Score:
35.07%
Best Match:
CHEMBL3125895

L: PY1-61
GP_EBOV

Docking Scores:
-8.12 -7.79 -8.61
Similarity Score:
21.72%
Best Match:
CHEMBL3125895

L: PY2-64
GP_EBOV

Docking Scores:
-8.54 -7.20 -7.27
Similarity Score:
17.71%
Best Match:
CHEMBL3125895

L: WIN55212-2
HA_A-H10N7

Docking Scores:
-8.37
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
HA_A-H10N7

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

L: PY2-64
HA_A-H10N7

Docking Scores:
-6.42
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
HA_A-H10N8

Docking Scores:
-7.64
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
HA_A-H10N8

Docking Scores:
-6.27
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
HA_A-H10N8

Docking Scores:
-6.43
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
HA_A-H13N6

Docking Scores:
-7.71
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
HA_A-H13N6

Docking Scores:
-6.61
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
HA_A-H13N6

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

L: WIN55212-2
HA_A-H14N6

Docking Scores:
-7.63
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
HA_A-H14N6

Docking Scores:
-7.58
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
HA_A-H14N6

Docking Scores:
-6.78
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
HA_A-H15N9

Docking Scores:
-7.98
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
HA_A-H15N9

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

L: PY2-64
HA_A-H15N9

Docking Scores:
-6.74
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
HA_A-H17N10

Docking Scores:
-7.10
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
HA_A-H17N10

Docking Scores:
-6.00
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
HA_A-H17N10

Docking Scores:
-6.11
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
HA_A-H18N11

Docking Scores:
-6.55
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
HA_A-H18N11

Docking Scores:
-5.57
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
HA_A-H18N11

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

L: WIN55212-2
HA_A-H1N1

Docking Scores:
-7.42 -7.54
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
HA_A-H1N1

Docking Scores:
-7.22 -6.90
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
HA_A-H1N1

Docking Scores:
-6.52 -5.67
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
HA_A-H2N2

Docking Scores:
-7.46 -7.33
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
HA_A-H2N2

Docking Scores:
-6.38 -6.10
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
HA_A-H2N2

Docking Scores:
-6.41 -5.88
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
HA_A-H3N2

Docking Scores:
-7.98 -7.51 -7.65
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
HA_A-H3N2

Docking Scores:
-6.60 -5.77 -6.54
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
HA_A-H3N2

Docking Scores:
-6.42 -6.35 -6.49
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
HA_A-H3N8

Docking Scores:
-7.67 -7.63 -7.86
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
HA_A-H3N8

Docking Scores:
-6.28 -6.25 -6.61
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
HA_A-H3N8

Docking Scores:
-5.58 -5.65 -5.48
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
HA_A-H5N1

Docking Scores:
-7.86 -7.36 -7.37
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
HA_A-H5N1

Docking Scores:
-6.69 -6.72 -6.43
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
HA_A-H5N1

Docking Scores:
-5.62 -6.72 -6.59
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
HA_A-H5N3

Docking Scores:
-7.77 -7.34
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
HA_A-H5N3

Docking Scores:
-6.17 -6.02
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
HA_A-H5N3

Docking Scores:
-6.59 -5.57
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
HA_A-H6N1

Docking Scores:
-7.64
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
HA_A-H6N1

Docking Scores:
-6.27
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
HA_A-H6N1

Docking Scores:
-6.43
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
HA_A-H6N6

Docking Scores:
-7.59
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
HA_A-H6N6

Docking Scores:
-6.93
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
HA_A-H6N6

Docking Scores:
-5.78
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
HA_A-H7N2

Docking Scores:
-7.71 -6.85 -7.60
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
HA_A-H7N2

Docking Scores:
-6.42 -5.54 -5.42
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
HA_A-H7N2

Docking Scores:
-6.23 -5.69 -6.00
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
HA_A-H7N7

Docking Scores:
-6.72 -7.73
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
HA_A-H7N7

Docking Scores:
-5.40 -6.22
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
HA_A-H7N7

Docking Scores:
-5.06 -6.28
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
HA_A-H7N9

Docking Scores:
-7.68
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
HA_A-H7N9

Docking Scores:
-7.21
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
HA_A-H7N9

Docking Scores:
-6.70
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
HA_INFB

Docking Scores:
-8.00 -7.41
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
HA_INFB

Docking Scores:
-6.78 -6.48
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
HA_INFB

Docking Scores:
-6.53 -6.13
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
HA_INFD

Docking Scores:
-6.96
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
HA_INFD

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

L: PY2-64
HA_INFD

Docking Scores:
-6.20
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
HE_BCV

Docking Scores:
-8.29 -7.64
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
HE_BCV

Docking Scores:
-7.12 -6.57
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
HE_BCV

Docking Scores:
-5.48 -5.96
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
HE_HCoV-OC43

Docking Scores:
-7.72
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
HE_HCoV-OC43

Docking Scores:
-7.27
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
HE_HCoV-OC43

Docking Scores:
-5.93
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
HE_MHV

Docking Scores:
-7.30
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
HE_MHV

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

L: PY2-64
HE_MHV

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

L: WIN55212-2
IN_HIV1

Docking Scores:
-6.82 -6.95
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
IN_HIV1

Docking Scores:
-6.56 -6.32
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
IN_HIV1

Docking Scores:
-6.16 -5.82
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
MD_HKU4

Docking Scores:
-10.69 -10.77 -8.48
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
MD_HKU4

Docking Scores:
-9.27 -8.51 -8.96
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
MD_HKU4

Docking Scores:
-8.82 -8.41 -9.46
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
MD_MERs

Docking Scores:
-8.81 -10.03
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
MD_MERs

Docking Scores:
-9.46 -9.10
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
MD_MERs

Docking Scores:
-9.33 -8.81
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
MTASE_SARS2

Docking Scores:
-6.89
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
MTASE_SARS2

Docking Scores:
-9.07
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
MTASE_SARS2

Docking Scores:
-6.97
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
MTASE_SARS2

Docking Scores:
-7.76
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
MTASE_SARS2

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

L: PY2-64
MTASE_SARS2

Docking Scores:
-6.63
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
MX2_A-H5N1

Docking Scores:
-2.14
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
MX2_A-H5N1

Docking Scores:
1.38
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
MX2_A-H5N1

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

L: WIN55212-2
NA_A-H11N6

Docking Scores:
-8.77 -8.64 -8.68
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
NA_A-H11N6

Docking Scores:
-8.21 -8.06 -7.01
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
NA_A-H11N6

Docking Scores:
-7.14 -7.16 -7.11
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
NA_A-H11N9

Docking Scores:
-7.79 -8.81 -9.31
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
NA_A-H11N9

Docking Scores:
-7.32 -8.09 -7.15
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
NA_A-H11N9

Docking Scores:
-6.95 -7.28 -7.38
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
NA_A-H12N5

Docking Scores:
-8.33 -8.93 -8.75
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
NA_A-H12N5

Docking Scores:
-7.41 -7.72 -7.31
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
NA_A-H12N5

Docking Scores:
-7.09 -7.45 -7.27
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
NA_A-H13N9

Docking Scores:
-7.69
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
NA_A-H13N9

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

L: PY2-64
NA_A-H13N9

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

L: WIN55212-2
NA_A-H17N10

Docking Scores:
-8.01
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
NA_A-H17N10

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

L: PY2-64
NA_A-H17N10

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

L: WIN55212-2
NA_A-H18N11

Docking Scores:
-8.19
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
NA_A-H18N11

Docking Scores:
-7.03
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
NA_A-H18N11

Docking Scores:
-7.10
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
NA_A-H1N1

Docking Scores:
-7.77
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
NA_A-H1N1

Docking Scores:
-7.52
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
NA_A-H1N1

Docking Scores:
-6.77
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
NA_A-H2N2

Docking Scores:
-9.02 -8.33 -8.92
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
NA_A-H2N2

Docking Scores:
-7.92 -7.84 -7.26
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
NA_A-H2N2

Docking Scores:
-6.63 -6.75 -6.88
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
NA_A-H3N2

Docking Scores:
-8.48 -7.65
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
NA_A-H3N2

Docking Scores:
-7.11 -6.70
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
NA_A-H3N2

Docking Scores:
-6.41 -6.12
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
NA_A-H3N8

Docking Scores:
-8.13 -9.42 -8.43
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
NA_A-H3N8

Docking Scores:
-7.23 -8.15 -7.45
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
NA_A-H3N8

Docking Scores:
-7.21 -7.05 -7.09
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
NA_A-H5N1

Docking Scores:
-8.21
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
NA_A-H5N1

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

L: PY2-64
NA_A-H5N1

Docking Scores:
-7.63
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
NA_A-H7N9

Docking Scores:
-7.94 -8.42 -8.57
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
NA_A-H7N9

Docking Scores:
-7.41 -7.45 -7.45
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
NA_A-H7N9

Docking Scores:
-6.36 -7.49 -6.88
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
NA_INFB

Docking Scores:
-8.19 -8.62
Similarity Score:
27.20%
Best Match:
CHEMBL4175983

L: PY1-61
NA_INFB

Docking Scores:
-6.63 -7.35
Similarity Score:
32.14%
Best Match:
CHEMBL4161935

L: PY2-64
NA_INFB

Docking Scores:
-6.44 -6.83
Similarity Score:
23.86%
Best Match:
CHEMBL4161935

L: WIN55212-2
NP_A-H1N1

Docking Scores:
-8.09 -7.97 -7.42
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
NP_A-H1N1

Docking Scores:
-6.24 -6.61 -6.77
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
NP_A-H1N1

Docking Scores:
-6.10 -6.92 -6.09
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
NP_A-H5N1

Docking Scores:
-7.85
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
NP_A-H5N1

Docking Scores:
-6.43
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
NP_A-H5N1

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

L: WIN55212-2
NP_HCoV-NL63

Docking Scores:
-8.16
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
NP_HCoV-NL63

Docking Scores:
-7.68
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
NP_HCoV-NL63

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

L: WIN55212-2
NP_HCoV-OC43

Docking Scores:
-10.89 -8.74 -8.42
Similarity Score:
20.10%
Best Match:
CHEMBL3233481

L: PY1-61
NP_HCoV-OC43

Docking Scores:
-7.82 -7.81 -7.00
Similarity Score:
29.36%
Best Match:
CHEMBL3233481

L: PY2-64
NP_HCoV-OC43

Docking Scores:
-8.20 -6.81 -6.99
Similarity Score:
18.98%
Best Match:
CHEMBL3233481

L: WIN55212-2
NP_INFB

Docking Scores:
-6.27
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
NP_INFB

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

L: PY2-64
NP_INFB

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

L: WIN55212-2
NP_INFD

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

L: PY1-61
NP_INFD

Docking Scores:
-5.65
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
NP_INFD

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

L: WIN55212-2
NP_SARS

Docking Scores:
-8.36
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
NP_SARS

Docking Scores:
-7.41
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
NP_SARS

Docking Scores:
-7.63
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
NS3_HCV1A

Docking Scores:
-7.59 -7.31 -8.57
Similarity Score:
38.22%
Best Match:
CHEMBL3948676

L: PY1-61
NS3_HCV1A

Docking Scores:
-5.91 -6.60 -8.08
Similarity Score:
35.51%
Best Match:
CHEMBL3984600

L: PY2-64
NS3_HCV1A

Docking Scores:
-8.37 -5.49 -6.69
Similarity Score:
27.20%
Best Match:
CHEMBL3945828

L: WIN55212-2
NS3_HCV1B

Docking Scores:
-9.93 -8.99 -7.34
Similarity Score:
32.42%
Best Match:
CHEMBL1170417

L: PY1-61
NS3_HCV1B

Docking Scores:
-8.33 -8.85 -6.18
Similarity Score:
25.33%
Best Match:
CHEMBL1170408

L: PY2-64
NS3_HCV1B

Docking Scores:
-8.10 -6.81 -5.61
Similarity Score:
29.80%
Best Match:
CHEMBL1170417

L: WIN55212-2
NS3_HCV3A

Docking Scores:
-7.72 -7.79 -7.31
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
NS3_HCV3A

Docking Scores:
-7.29 -7.16 -6.77
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
NS3_HCV3A

Docking Scores:
-6.74 -6.29 -6.42
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
NS5B_HCV1A

Docking Scores:
-9.35 -10.07 -9.96
Similarity Score:
35.38%
Best Match:
CHEMBL353549

L: PY1-61
NS5B_HCV1A

Docking Scores:
-8.43 -9.37 -9.37
Similarity Score:
30.77%
Best Match:
CHEMBL3644925

L: PY2-64
NS5B_HCV1A

Docking Scores:
-8.11 -8.47 -8.68
Similarity Score:
31.22%
Best Match:
CHEMBL176058

L: WIN55212-2
NS5B_HCV1B

Docking Scores:
-9.57 -8.32 -8.27
Similarity Score:
35.19%
Best Match:
CHEMBL3422106

L: PY1-61
NS5B_HCV1B

Docking Scores:
-8.18 -8.67 -8.22
Similarity Score:
30.57%
Best Match:
CHEMBL3645183

L: PY2-64
NS5B_HCV1B

Docking Scores:
-7.65 -8.31 -8.81
Similarity Score:
34.42%
Best Match:
CHEMBL3645180

L: WIN55212-2
NS5B_HCV2A

Docking Scores:
-11.20 -9.85
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
NS5B_HCV2A

Docking Scores:
-10.07 -8.77
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
NS5B_HCV2A

Docking Scores:
-9.07 -8.49
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
NSP15_SARS

Docking Scores:
-7.97
Similarity Score:
24.41%
Best Match:
CHEMBL221366

L: PY1-61
NSP15_SARS

Docking Scores:
-7.21
Similarity Score:
25.83%
Best Match:
CHEMBL2441741

L: PY2-64
NSP15_SARS

Docking Scores:
-6.84
Similarity Score:
18.38%
Best Match:
CHEMBL3105073

L: WIN55212-2
NSP15_SARS2

Docking Scores:
-8.84
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
NSP15_SARS2

Docking Scores:
-7.56
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
NSP15_SARS2

Docking Scores:
-7.10
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
NSP1_INFB

Docking Scores:
-8.62 -8.68
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
NSP1_INFB

Docking Scores:
-6.18 -6.54
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
NSP1_INFB

Docking Scores:
-6.39 -5.82
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
NSP1_SARS

Docking Scores:
-6.50
Similarity Score:
24.41%
Best Match:
CHEMBL221366

L: PY1-61
NSP1_SARS

Docking Scores:
-6.20
Similarity Score:
25.83%
Best Match:
CHEMBL2441741

L: PY2-64
NSP1_SARS

Docking Scores:
-5.92
Similarity Score:
18.38%
Best Match:
CHEMBL3105073

L: WIN55212-2
NSP3_HCoV-229E

Docking Scores:
-10.06
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
NSP3_HCoV-229E

Docking Scores:
-9.15
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
NSP3_HCoV-229E

Docking Scores:
-8.40
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
NSP3_IBV

Docking Scores:
-8.78
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
NSP3_IBV

Docking Scores:
-9.18
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
NSP3_IBV

Docking Scores:
-8.63
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
NSP3_MHV

Docking Scores:
-7.56
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
NSP3_MHV

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

L: PY2-64
NSP3_MHV

Docking Scores:
-6.31
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
NSP3_SARS2

Docking Scores:
-9.06
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
NSP3_SARS2

Docking Scores:
-7.44
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
NSP3_SARS2

Docking Scores:
-7.53
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
NSP9_HCoV-229E

Docking Scores:
-8.51 -7.74
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
NSP9_HCoV-229E

Docking Scores:
-6.32 -6.85
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
NSP9_HCoV-229E

Docking Scores:
-6.16 -5.83
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
PA_A-H17N10

Docking Scores:
-8.56
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
PA_A-H17N10

Docking Scores:
-7.57
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
PA_A-H17N10

Docking Scores:
-7.58
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
PA_A-H1N1

Docking Scores:
-9.86 -9.65 -8.86
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
PA_A-H1N1

Docking Scores:
-8.36 -7.43 -8.24
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
PA_A-H1N1

Docking Scores:
-8.36 -7.42 -6.86
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
PA_A-H5N1

Docking Scores:
-9.57 -9.09 -9.24
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
PA_A-H5N1

Docking Scores:
-7.69 -7.33 -7.63
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
PA_A-H5N1

Docking Scores:
-7.79 -7.93 -7.94
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
PA_INFA

Docking Scores:
-9.94 -8.91 -9.24
Similarity Score:
27.39%
Best Match:
CHEMBL2443239

L: PY1-61
PA_INFA

Docking Scores:
-9.19 -8.13 -7.86
Similarity Score:
33.05%
Best Match:
CHEMBL2040552

L: PY2-64
PA_INFA

Docking Scores:
-8.11 -7.11 -7.57
Similarity Score:
25.17%
Best Match:
CHEMBL2040552

L: WIN55212-2
PA_INFB

Docking Scores:
-9.29
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
PA_INFB

Docking Scores:
-8.35
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
PA_INFB

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

L: WIN55212-2
PB2_A-H3N2

Docking Scores:
-10.73 -11.19
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
PB2_A-H3N2

Docking Scores:
-8.02 -7.75
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
PB2_A-H3N2

Docking Scores:
-7.23 -8.21
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
PB2_A-H5N1

Docking Scores:
-9.61 -10.44 -9.57
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
PB2_A-H5N1

Docking Scores:
-7.86 -8.09 -7.77
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
PB2_A-H5N1

Docking Scores:
-6.81 -7.80 -7.42
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
PB2_INFB

Docking Scores:
-9.77
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
PB2_INFB

Docking Scores:
-8.03
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
PB2_INFB

Docking Scores:
-7.13
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
PB3_A-H3N2

Docking Scores:
-10.97
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
PB3_A-H3N2

Docking Scores:
-7.22
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
PB3_A-H3N2

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

L: WIN55212-2
PB4_A-H3N2

Docking Scores:
-10.31
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
PB4_A-H3N2

Docking Scores:
-8.06
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
PB4_A-H3N2

Docking Scores:
-7.30
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
PLP_SARS

Docking Scores:
-10.24 -10.24 -10.52
Similarity Score:
31.46%
Best Match:
CHEMBL225515

L: PY1-61
PLP_SARS

Docking Scores:
-8.69 -9.58 -9.96
Similarity Score:
53.72%
Best Match:
CHEMBL358279

L: PY2-64
PLP_SARS

Docking Scores:
-8.83 -8.60 -9.69
Similarity Score:
27.61%
Best Match:
CHEMBL358279

L: WIN55212-2
PLP_SARS2

Docking Scores:
-7.87
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
PLP_SARS2

Docking Scores:
-6.67
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
PLP_SARS2

Docking Scores:
-6.08
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
PR_FCoV

Docking Scores:
-8.58
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
PR_FCoV

Docking Scores:
-7.24
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
PR_FCoV

Docking Scores:
-7.17
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
PR_HCoV-229E

Docking Scores:
-8.73 -7.85
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
PR_HCoV-229E

Docking Scores:
-7.34 -7.17
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
PR_HCoV-229E

Docking Scores:
-7.33 -6.78
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
PR_HCoV-NL63

Docking Scores:
-5.46 -8.61
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
PR_HCoV-NL63

Docking Scores:
-5.43 -7.36
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
PR_HCoV-NL63

Docking Scores:
-4.69 -7.13
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
PR_HIV1

Docking Scores:
-7.57 -8.01 -8.38
Similarity Score:
28.40%
Best Match:
CHEMBL450294

L: PY1-61
PR_HIV1

Docking Scores:
-7.10 -6.11 -6.29
Similarity Score:
21.79%
Best Match:
CHEMBL492666

L: PY2-64
PR_HIV1

Docking Scores:
-6.87 -6.63 -6.78
Similarity Score:
37.93%
Best Match:
CHEMBL492666

L: WIN55212-2
PR_HIV2

Docking Scores:
-8.73 -7.63
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
PR_HIV2

Docking Scores:
-7.40 -7.07
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
PR_HIV2

Docking Scores:
-6.94 -6.89
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
PR_HKU1

Docking Scores:
-7.27
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
PR_HKU1

Docking Scores:
-7.70
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
PR_HKU1

Docking Scores:
-6.56
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
PR_HKU4

Docking Scores:
-7.87 -8.52 -8.50
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
PR_HKU4

Docking Scores:
-7.27 -7.49 -7.37
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
PR_HKU4

Docking Scores:
-6.49 -8.11 -7.91
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
PR_IBV

Docking Scores:
-8.89
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
PR_IBV

Docking Scores:
-7.11
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
PR_IBV

Docking Scores:
-7.07
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
PR_MERs

Docking Scores:
-9.13 -8.58
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
PR_MERs

Docking Scores:
-6.92 -7.46
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
PR_MERs

Docking Scores:
-6.97 -8.21
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
PR_PEDV

Docking Scores:
-8.90
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
PR_PEDV

Docking Scores:
-7.61
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
PR_PEDV

Docking Scores:
-6.73
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
PR_SARS

Docking Scores:
-8.40 -8.06 -9.13
Similarity Score:
24.41%
Best Match:
CHEMBL221366

L: PY1-61
PR_SARS

Docking Scores:
-7.21 -6.54 -7.77
Similarity Score:
25.83%
Best Match:
CHEMBL2441741

L: PY2-64
PR_SARS

Docking Scores:
-6.69 -6.44 -7.26
Similarity Score:
18.38%
Best Match:
CHEMBL3105073

L: WIN55212-2
PR_SARS2

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

L: PY1-61
PR_SARS2

Docking Scores:
-7.35
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
PR_SARS2

Docking Scores:
-6.28
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
PR_TGEV

Docking Scores:
-8.21
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
PR_TGEV

Docking Scores:
-7.55
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
PR_TGEV

Docking Scores:
-7.22
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
RDRP_SARS2

Docking Scores:
-7.48
Similarity Score:
24.49%
Best Match:
CHEMBL4065616

L: PY1-61
RDRP_SARS2

Docking Scores:
-6.98
Similarity Score:
14.33%
Best Match:
CHEMBL4065616

L: PY2-64
RDRP_SARS2

Docking Scores:
-6.61
Similarity Score:
14.79%
Best Match:
CHEMBL4065616

L: WIN55212-2
RT_HIV1

Docking Scores:
-11.41 -10.67 -11.46
Similarity Score:
32.25%
Best Match:
CHEMBL3900871

L: PY1-61
RT_HIV1

Docking Scores:
-9.10 -9.31 -8.55
Similarity Score:
33.33%
Best Match:
CHEMBL4227382

L: PY2-64
RT_HIV1

Docking Scores:
-8.94 -8.94 -9.23
Similarity Score:
31.39%
Best Match:
CHEMBL4115202

L: WIN55212-2
SPIKE_HCoV-229E

Docking Scores:
-6.61
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
SPIKE_HCoV-229E

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

L: PY2-64
SPIKE_HCoV-229E

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

L: WIN55212-2
SPIKE_HCoV-NL63

Docking Scores:
-7.24
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
SPIKE_HCoV-NL63

Docking Scores:
-6.24
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
SPIKE_HCoV-NL63

Docking Scores:
-6.07
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
SPIKE_HCoV-OC43

Docking Scores:
-7.14
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
SPIKE_HCoV-OC43

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

L: PY2-64
SPIKE_HCoV-OC43

Docking Scores:
-6.71
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
SPIKE_HKU4

Docking Scores:
-8.31
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
SPIKE_HKU4

Docking Scores:
-6.78
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
SPIKE_HKU4

Docking Scores:
-7.34
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
SPIKE_IBV

Docking Scores:
-7.27
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
SPIKE_IBV

Docking Scores:
-6.04
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
SPIKE_IBV

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

L: WIN55212-2
SPIKE_MERs

Docking Scores:
-8.10 -8.12 -6.53
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
SPIKE_MERs

Docking Scores:
-6.39 -6.46 -6.20
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
SPIKE_MERs

Docking Scores:
-7.06 -6.17 -5.26
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
SPIKE_MHV

Docking Scores:
-8.71
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
SPIKE_MHV

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

L: PY2-64
SPIKE_MHV

Docking Scores:
-6.35
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
SPIKE_PDCoV

Docking Scores:
-7.74
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
SPIKE_PDCoV

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

L: PY2-64
SPIKE_PDCoV

Docking Scores:
-5.63
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
SPIKE_SARS

Docking Scores:
-7.63 -7.71
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
SPIKE_SARS

Docking Scores:
-6.52 -6.33
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
SPIKE_SARS

Docking Scores:
-6.05 -5.68
Similarity Score:
N/A
Best Match:
N/A

L: WIN55212-2
SPIKE_SARS2

Docking Scores:
-7.67 -8.16 -8.63
Similarity Score:
N/A
Best Match:
N/A

L: PY1-61
SPIKE_SARS2

Docking Scores:
-5.59 -6.11 -6.59
Similarity Score:
N/A
Best Match:
N/A

L: PY2-64
SPIKE_SARS2

Docking Scores:
-4.44 -5.79 -6.23
Similarity Score:
N/A
Best Match:
N/A