Mercaptopurine_melatonin_asiprin #157 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: asiprin
GP160_HIV1

Docking Scores:
-6.28 -5.12 -5.67
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
GP160_HIV1

Docking Scores:
-5.37 -5.40 -4.75
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
GP160_HIV1

Docking Scores:
-5.99 -5.93 -6.10
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
GP160_HIV2

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

L: Mercaptopurine
GP160_HIV2

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

L: melatonin
GP160_HIV2

Docking Scores:
-5.61
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
GP_EBOV

Docking Scores:
-5.33 -5.46 -5.38
Similarity Score:
14.23%
Best Match:
CHEMBL3125895

L: Mercaptopurine
GP_EBOV

Docking Scores:
-4.61 -4.15 -4.25
Similarity Score:
11.76%
Best Match:
CHEMBL3125895

L: melatonin
GP_EBOV

Docking Scores:
-6.60 -6.18 -6.50
Similarity Score:
34.07%
Best Match:
CHEMBL3125895

L: asiprin
HA_A-H10N7

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

L: Mercaptopurine
HA_A-H10N7

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

L: melatonin
HA_A-H10N7

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

L: asiprin
HA_A-H10N8

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

L: Mercaptopurine
HA_A-H10N8

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

L: melatonin
HA_A-H10N8

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

L: asiprin
HA_A-H13N6

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

L: Mercaptopurine
HA_A-H13N6

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

L: melatonin
HA_A-H13N6

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

L: asiprin
HA_A-H14N6

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

L: Mercaptopurine
HA_A-H14N6

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

L: melatonin
HA_A-H14N6

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

L: asiprin
HA_A-H15N9

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

L: Mercaptopurine
HA_A-H15N9

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

L: melatonin
HA_A-H15N9

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

L: asiprin
HA_A-H17N10

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

L: Mercaptopurine
HA_A-H17N10

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

L: melatonin
HA_A-H17N10

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

L: asiprin
HA_A-H18N11

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

L: Mercaptopurine
HA_A-H18N11

Docking Scores:
-4.36
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
HA_A-H18N11

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

L: asiprin
HA_A-H1N1

Docking Scores:
-5.13 -5.03
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
HA_A-H1N1

Docking Scores:
-4.58 -4.27
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
HA_A-H1N1

Docking Scores:
-5.33 -5.26
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
HA_A-H2N2

Docking Scores:
-4.88 -5.11
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
HA_A-H2N2

Docking Scores:
-4.76 -5.22
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
HA_A-H2N2

Docking Scores:
-5.24 -5.34
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
HA_A-H3N2

Docking Scores:
-5.06 -5.13 -4.94
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
HA_A-H3N2

Docking Scores:
-4.91 -4.17 -4.10
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
HA_A-H3N2

Docking Scores:
-5.25 -5.02 -5.17
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
HA_A-H3N8

Docking Scores:
-4.44 -4.74 -4.76
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
HA_A-H3N8

Docking Scores:
-3.90 -4.21 -4.23
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
HA_A-H3N8

Docking Scores:
-4.98 -5.30 -4.95
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
HA_A-H5N1

Docking Scores:
-5.28 -5.59 -6.02
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
HA_A-H5N1

Docking Scores:
-5.19 -5.31 -4.76
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
HA_A-H5N1

Docking Scores:
-5.58 -5.95 -6.04
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
HA_A-H5N3

Docking Scores:
-5.38 -5.14
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
HA_A-H5N3

Docking Scores:
-5.28 -4.60
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
HA_A-H5N3

Docking Scores:
-5.86 -5.42
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
HA_A-H6N1

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

L: Mercaptopurine
HA_A-H6N1

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

L: melatonin
HA_A-H6N1

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

L: asiprin
HA_A-H6N6

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

L: Mercaptopurine
HA_A-H6N6

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

L: melatonin
HA_A-H6N6

Docking Scores:
-5.18
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
HA_A-H7N2

Docking Scores:
-5.00 -4.62 -5.23
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
HA_A-H7N2

Docking Scores:
-4.25 -3.98 -4.53
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
HA_A-H7N2

Docking Scores:
-5.47 -5.08 -5.36
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
HA_A-H7N7

Docking Scores:
-4.88 -5.18
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
HA_A-H7N7

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

L: melatonin
HA_A-H7N7

Docking Scores:
-5.69 -5.62
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
HA_A-H7N9

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

L: Mercaptopurine
HA_A-H7N9

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

L: melatonin
HA_A-H7N9

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

L: asiprin
HA_INFB

Docking Scores:
-5.17 -5.15
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
HA_INFB

Docking Scores:
-4.36 -4.28
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
HA_INFB

Docking Scores:
-5.62 -5.10
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
HA_INFD

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

L: Mercaptopurine
HA_INFD

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

L: melatonin
HA_INFD

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

L: asiprin
HE_BCV

Docking Scores:
-6.58 -5.28
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
HE_BCV

Docking Scores:
-5.33 -4.48
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
HE_BCV

Docking Scores:
-6.10 -5.31
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
HE_HCoV-OC43

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

L: Mercaptopurine
HE_HCoV-OC43

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

L: melatonin
HE_HCoV-OC43

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

L: asiprin
HE_MHV

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

L: Mercaptopurine
HE_MHV

Docking Scores:
-4.16
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
HE_MHV

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

L: asiprin
IN_HIV1

Docking Scores:
-4.15 -4.41
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
IN_HIV1

Docking Scores:
-3.35 -3.79
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
IN_HIV1

Docking Scores:
-4.96 -4.91
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
MD_HKU4

Docking Scores:
-6.80 -6.36 -6.14
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
MD_HKU4

Docking Scores:
-4.65 -5.00 -4.96
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
MD_HKU4

Docking Scores:
-7.28 -7.31 -7.31
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
MD_MERs

Docking Scores:
-6.88 -6.35
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
MD_MERs

Docking Scores:
-4.80 -5.08
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
MD_MERs

Docking Scores:
-7.28 -6.96
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
MX2_A-H5N1

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

L: Mercaptopurine
MX2_A-H5N1

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

L: melatonin
MX2_A-H5N1

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

L: asiprin
NA_A-H11N6

Docking Scores:
-5.58 -5.68 -5.65
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
NA_A-H11N6

Docking Scores:
-5.06 -5.20 -5.04
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
NA_A-H11N6

Docking Scores:
-6.54 -6.86 -6.60
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
NA_A-H11N9

Docking Scores:
-5.88 -6.01 -5.56
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
NA_A-H11N9

Docking Scores:
-4.72 -5.13 -5.07
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
NA_A-H11N9

Docking Scores:
-4.71 -6.36 -6.48
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
NA_A-H12N5

Docking Scores:
-6.11 -5.57 -5.60
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
NA_A-H12N5

Docking Scores:
-4.97 -5.19 -5.18
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
NA_A-H12N5

Docking Scores:
-6.60 -6.25 -6.26
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
NA_A-H13N9

Docking Scores:
-5.24
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
NA_A-H13N9

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

L: melatonin
NA_A-H13N9

Docking Scores:
-5.41
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
NA_A-H17N10

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

L: Mercaptopurine
NA_A-H17N10

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

L: melatonin
NA_A-H17N10

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

L: asiprin
NA_A-H18N11

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

L: Mercaptopurine
NA_A-H18N11

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

L: melatonin
NA_A-H18N11

Docking Scores:
-5.64
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
NA_A-H1N1

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

L: Mercaptopurine
NA_A-H1N1

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

L: melatonin
NA_A-H1N1

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

L: asiprin
NA_A-H2N2

Docking Scores:
-5.90 -5.87 -5.94
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
NA_A-H2N2

Docking Scores:
-5.24 -5.29 -4.82
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
NA_A-H2N2

Docking Scores:
-6.28 -5.77 -6.10
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
NA_A-H3N2

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

L: Mercaptopurine
NA_A-H3N2

Docking Scores:
-4.40 -4.67
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
NA_A-H3N2

Docking Scores:
-6.37 -5.49
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
NA_A-H3N8

Docking Scores:
-5.34 -6.41 -5.89
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
NA_A-H3N8

Docking Scores:
-5.01 -5.20 -5.06
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
NA_A-H3N8

Docking Scores:
-6.50 -6.62 -6.68
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
NA_A-H5N1

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

L: Mercaptopurine
NA_A-H5N1

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

L: melatonin
NA_A-H5N1

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

L: asiprin
NA_A-H7N9

Docking Scores:
-5.50 -5.63 -5.60
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
NA_A-H7N9

Docking Scores:
-4.96 -5.21 -5.24
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
NA_A-H7N9

Docking Scores:
-6.00 -6.16 -6.10
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
NA_INFB

Docking Scores:
-5.91 -5.98
Similarity Score:
14.56%
Best Match:
CHEMBL79499

L: Mercaptopurine
NA_INFB

Docking Scores:
-4.95 -5.10
Similarity Score:
14.63%
Best Match:
CHEMBL195288

L: melatonin
NA_INFB

Docking Scores:
-6.28 -6.78
Similarity Score:
24.69%
Best Match:
CHEMBL362993

L: asiprin
NP_A-H1N1

Docking Scores:
-5.36 -5.70 -5.84
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
NP_A-H1N1

Docking Scores:
-4.18 -4.35 -5.23
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
NP_A-H1N1

Docking Scores:
-5.54 -7.34 -6.05
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
NP_A-H5N1

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

L: Mercaptopurine
NP_A-H5N1

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

L: melatonin
NP_A-H5N1

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

L: asiprin
NP_HCoV-NL63

Docking Scores:
-5.01
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
NP_HCoV-NL63

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

L: melatonin
NP_HCoV-NL63

Docking Scores:
-6.03
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
NP_HCoV-OC43

Docking Scores:
-6.55 -5.79 -5.75
Similarity Score:
10.38%
Best Match:
CHEMBL3233481

L: Mercaptopurine
NP_HCoV-OC43

Docking Scores:
-5.62 -4.66 -4.64
Similarity Score:
11.11%
Best Match:
CHEMBL3233481

L: melatonin
NP_HCoV-OC43

Docking Scores:
-7.47 -6.46 -6.04
Similarity Score:
26.72%
Best Match:
CHEMBL3233481

L: asiprin
NP_INFB

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

L: Mercaptopurine
NP_INFB

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

L: melatonin
NP_INFB

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

L: asiprin
NP_INFD

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

L: Mercaptopurine
NP_INFD

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

L: melatonin
NP_INFD

Docking Scores:
-4.86
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
NP_SARS

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

L: Mercaptopurine
NP_SARS

Docking Scores:
-5.05
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
NP_SARS

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

L: asiprin
NS3_HCV1A

Docking Scores:
-5.85 -6.08 -6.08
Similarity Score:
33.33%
Best Match:
CHEMBL4107993

L: Mercaptopurine
NS3_HCV1A

Docking Scores:
-4.91 -4.49 -4.86
Similarity Score:
18.37%
Best Match:
CHEMBL3696817

L: melatonin
NS3_HCV1A

Docking Scores:
-6.10 -5.61 -6.69
Similarity Score:
38.89%
Best Match:
CHEMBL3948676

L: asiprin
NS3_HCV1B

Docking Scores:
-5.92 -5.14 -5.79
Similarity Score:
15.86%
Best Match:
CHEMBL1170408

L: Mercaptopurine
NS3_HCV1B

Docking Scores:
-4.86 -4.77 -4.38
Similarity Score:
10.78%
Best Match:
CHEMBL3125634

L: melatonin
NS3_HCV1B

Docking Scores:
-6.41 -6.38 -5.11
Similarity Score:
31.39%
Best Match:
CHEMBL1170408

L: asiprin
NS3_HCV3A

Docking Scores:
-5.88 -5.90 -5.85
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
NS3_HCV3A

Docking Scores:
-5.02 -5.08 -5.08
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
NS3_HCV3A

Docking Scores:
-6.48 -6.43 -5.95
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
NS5B_HCV1A

Docking Scores:
-6.13 -7.39 -7.02
Similarity Score:
31.30%
Best Match:
CHEMBL446360

L: Mercaptopurine
NS5B_HCV1A

Docking Scores:
-5.39 -5.39 -5.37
Similarity Score:
14.50%
Best Match:
CHEMBL353549

L: melatonin
NS5B_HCV1A

Docking Scores:
-6.46 -7.38 -7.18
Similarity Score:
35.97%
Best Match:
CHEMBL363650

L: asiprin
NS5B_HCV1B

Docking Scores:
-5.75 -6.16 -5.93
Similarity Score:
19.70%
Best Match:
CHEMBL3645180

L: Mercaptopurine
NS5B_HCV1B

Docking Scores:
-5.02 -5.13 -4.86
Similarity Score:
16.13%
Best Match:
CHEMBL99408

L: melatonin
NS5B_HCV1B

Docking Scores:
-6.43 -7.18 -6.59
Similarity Score:
31.88%
Best Match:
CHEMBL3645180

L: asiprin
NS5B_HCV2A

Docking Scores:
-6.63 -6.55
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
NS5B_HCV2A

Docking Scores:
-5.19 -5.52
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
NS5B_HCV2A

Docking Scores:
-7.32 -7.59
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
NSP15_SARS

Docking Scores:
-5.75
Similarity Score:
29.57%
Best Match:
CHEMBL221366

L: Mercaptopurine
NSP15_SARS

Docking Scores:
-4.33
Similarity Score:
14.52%
Best Match:
CHEMBL221366

L: melatonin
NSP15_SARS

Docking Scores:
-5.66
Similarity Score:
26.45%
Best Match:
CHEMBL2441741

L: asiprin
NSP1_INFB

Docking Scores:
-4.43 -4.02
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
NSP1_INFB

Docking Scores:
-3.61 -3.68
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
NSP1_INFB

Docking Scores:
-5.57 -5.60
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
NSP1_SARS

Docking Scores:
-5.10
Similarity Score:
29.57%
Best Match:
CHEMBL221366

L: Mercaptopurine
NSP1_SARS

Docking Scores:
-4.64
Similarity Score:
14.52%
Best Match:
CHEMBL221366

L: melatonin
NSP1_SARS

Docking Scores:
-5.68
Similarity Score:
26.45%
Best Match:
CHEMBL2441741

L: asiprin
NSP3_HCoV-229E

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

L: Mercaptopurine
NSP3_HCoV-229E

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

L: melatonin
NSP3_HCoV-229E

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

L: asiprin
NSP3_IBV

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

L: Mercaptopurine
NSP3_IBV

Docking Scores:
-5.18
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
NSP3_IBV

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

L: asiprin
NSP3_MHV

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

L: Mercaptopurine
NSP3_MHV

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

L: melatonin
NSP3_MHV

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

L: asiprin
NSP9_HCoV-229E

Docking Scores:
-5.54 -5.55
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
NSP9_HCoV-229E

Docking Scores:
-4.20 -4.16
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
NSP9_HCoV-229E

Docking Scores:
-5.94 -5.67
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
PA_A-H17N10

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

L: Mercaptopurine
PA_A-H17N10

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

L: melatonin
PA_A-H17N10

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

L: asiprin
PA_A-H1N1

Docking Scores:
-5.40 -5.84 -5.35
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
PA_A-H1N1

Docking Scores:
-5.15 -5.32 -4.82
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
PA_A-H1N1

Docking Scores:
-6.25 -6.59 -6.21
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
PA_A-H5N1

Docking Scores:
-5.93 -5.72 -5.50
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
PA_A-H5N1

Docking Scores:
-5.11 -4.83 -4.93
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
PA_A-H5N1

Docking Scores:
-6.77 -6.39 -6.51
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
PA_INFA

Docking Scores:
-6.81 -5.31 -5.44
Similarity Score:
39.56%
Best Match:
CHEMBL3600947

L: Mercaptopurine
PA_INFA

Docking Scores:
-5.46 -4.89 -4.72
Similarity Score:
15.20%
Best Match:
CHEMBL2040578

L: melatonin
PA_INFA

Docking Scores:
-7.18 -6.05 -6.28
Similarity Score:
30.77%
Best Match:
CHEMBL573638

L: asiprin
PA_INFB

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

L: Mercaptopurine
PA_INFB

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

L: melatonin
PA_INFB

Docking Scores:
-6.21
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
PB2_A-H3N2

Docking Scores:
-6.03 -6.07
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
PB2_A-H3N2

Docking Scores:
-4.76 -4.61
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
PB2_A-H3N2

Docking Scores:
-6.39 -6.90
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
PB2_A-H5N1

Docking Scores:
-5.63 -5.57 -6.04
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
PB2_A-H5N1

Docking Scores:
-4.53 -4.70 -4.67
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
PB2_A-H5N1

Docking Scores:
-6.40 -6.53 -6.84
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
PB2_INFB

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

L: Mercaptopurine
PB2_INFB

Docking Scores:
-4.80
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
PB2_INFB

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

L: asiprin
PB3_A-H3N2

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

L: Mercaptopurine
PB3_A-H3N2

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

L: melatonin
PB3_A-H3N2

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

L: asiprin
PB4_A-H3N2

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

L: Mercaptopurine
PB4_A-H3N2

Docking Scores:
-4.82
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
PB4_A-H3N2

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

L: asiprin
PLP_SARS

Docking Scores:
-6.70 -6.71 -6.30
Similarity Score:
40.95%
Best Match:
CHEMBL222735

L: Mercaptopurine
PLP_SARS

Docking Scores:
-5.59 -5.81 -5.94
Similarity Score:
13.71%
Best Match:
CHEMBL222735

L: melatonin
PLP_SARS

Docking Scores:
-7.15 -7.48 -7.69
Similarity Score:
34.27%
Best Match:
CHEMBL358279

L: asiprin
PR_FCoV

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

L: Mercaptopurine
PR_FCoV

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

L: melatonin
PR_FCoV

Docking Scores:
-5.99
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
PR_HCoV-229E

Docking Scores:
-4.83 -4.56
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
PR_HCoV-229E

Docking Scores:
-4.54 -4.61
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
PR_HCoV-229E

Docking Scores:
-5.97 -5.46
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
PR_HCoV-NL63

Docking Scores:
-5.09 -5.19
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
PR_HCoV-NL63

Docking Scores:
-3.91 -4.67
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
PR_HCoV-NL63

Docking Scores:
-5.32 -6.01
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
PR_HIV1

Docking Scores:
-4.76 -5.20 -5.08
Similarity Score:
17.82%
Best Match:
CHEMBL450294

L: Mercaptopurine
PR_HIV1

Docking Scores:
-3.98 -4.38 -4.04
Similarity Score:
10.34%
Best Match:
CHEMBL510485

L: melatonin
PR_HIV1

Docking Scores:
-5.83 -5.67 -6.13
Similarity Score:
28.00%
Best Match:
CHEMBL492666

L: asiprin
PR_HIV2

Docking Scores:
-5.31 -4.86
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
PR_HIV2

Docking Scores:
-4.87 -3.87
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
PR_HIV2

Docking Scores:
-6.36 -5.65
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
PR_HKU1

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

L: Mercaptopurine
PR_HKU1

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

L: melatonin
PR_HKU1

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

L: asiprin
PR_HKU4

Docking Scores:
-4.73 -5.43 -5.11
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
PR_HKU4

Docking Scores:
-4.70 -4.91 -4.68
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
PR_HKU4

Docking Scores:
-5.76 -6.07 -6.21
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
PR_IBV

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

L: Mercaptopurine
PR_IBV

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

L: melatonin
PR_IBV

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

L: asiprin
PR_MERs

Docking Scores:
-5.53 -5.14
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
PR_MERs

Docking Scores:
-4.88 -5.01
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
PR_MERs

Docking Scores:
-6.20 -6.50
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
PR_PEDV

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

L: Mercaptopurine
PR_PEDV

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

L: melatonin
PR_PEDV

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

L: asiprin
PR_SARS

Docking Scores:
-5.48 -5.35 -5.17
Similarity Score:
29.57%
Best Match:
CHEMBL221366

L: Mercaptopurine
PR_SARS

Docking Scores:
-4.57 -5.08 -4.74
Similarity Score:
14.52%
Best Match:
CHEMBL221366

L: melatonin
PR_SARS

Docking Scores:
-5.53 -6.14 -5.93
Similarity Score:
26.45%
Best Match:
CHEMBL2441741

L: asiprin
PR_SARS2

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

L: Mercaptopurine
PR_SARS2

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

L: melatonin
PR_SARS2

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

L: asiprin
PR_TGEV

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

L: Mercaptopurine
PR_TGEV

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

L: melatonin
PR_TGEV

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

L: asiprin
RT_HIV1

Docking Scores:
-6.92 -6.85 -7.01
Similarity Score:
23.36%
Best Match:
CHEMBL3775172

L: Mercaptopurine
RT_HIV1

Docking Scores:
-5.43 -5.18 -5.53
Similarity Score:
18.18%
Best Match:
CHEMBL4288759

L: melatonin
RT_HIV1

Docking Scores:
-8.20 -8.24 -8.19
Similarity Score:
30.52%
Best Match:
CHEMBL4227326

L: asiprin
SPIKE_HCoV-229E

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

L: Mercaptopurine
SPIKE_HCoV-229E

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

L: melatonin
SPIKE_HCoV-229E

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

L: asiprin
SPIKE_HCoV-NL63

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

L: Mercaptopurine
SPIKE_HCoV-NL63

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

L: melatonin
SPIKE_HCoV-NL63

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

L: asiprin
SPIKE_HCoV-OC43

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

L: Mercaptopurine
SPIKE_HCoV-OC43

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

L: melatonin
SPIKE_HCoV-OC43

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

L: asiprin
SPIKE_HKU4

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

L: Mercaptopurine
SPIKE_HKU4

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

L: melatonin
SPIKE_HKU4

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

L: asiprin
SPIKE_IBV

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

L: Mercaptopurine
SPIKE_IBV

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

L: melatonin
SPIKE_IBV

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

L: asiprin
SPIKE_MERs

Docking Scores:
-5.73 -5.14 -4.40
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
SPIKE_MERs

Docking Scores:
-4.57 -4.76 -3.94
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
SPIKE_MERs

Docking Scores:
-5.40 -5.33 -4.54
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
SPIKE_MHV

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

L: Mercaptopurine
SPIKE_MHV

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

L: melatonin
SPIKE_MHV

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

L: asiprin
SPIKE_PDCoV

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

L: Mercaptopurine
SPIKE_PDCoV

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

L: melatonin
SPIKE_PDCoV

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

L: asiprin
SPIKE_SARS

Docking Scores:
-4.93 -5.17
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
SPIKE_SARS

Docking Scores:
-4.15 -3.75
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
SPIKE_SARS

Docking Scores:
-5.36 -5.61
Similarity Score:
N/A
Best Match:
N/A

L: asiprin
SPIKE_SARS2

Docking Scores:
-4.76
Similarity Score:
N/A
Best Match:
N/A

L: Mercaptopurine
SPIKE_SARS2

Docking Scores:
-4.26
Similarity Score:
N/A
Best Match:
N/A

L: melatonin
SPIKE_SARS2

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