5-Drugs #117 Output Download CSV

View Paged
Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
GP160_HIV1

Docking Scores:
-7.91 -7.78 -7.56
Similarity Score:
N/A
Best Match:
N/A

GP160_HIV2

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

GP_EBOV

Docking Scores:
-7.51 -6.70 -7.79
Similarity Score:
26.79%
Best Match:
CHEMBL3125895

HA_A-H10N7

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

HA_A-H10N8

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

HA_A-H13N6

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

HA_A-H14N6

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

HA_A-H15N9

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

HA_A-H17N10

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

HA_A-H18N11

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

HA_A-H1N1

Docking Scores:
-6.64 -6.40
Similarity Score:
N/A
Best Match:
N/A

HA_A-H2N2

Docking Scores:
-5.69 -6.44
Similarity Score:
N/A
Best Match:
N/A

HA_A-H3N2

Docking Scores:
-6.98 -6.70 -6.46
Similarity Score:
N/A
Best Match:
N/A

HA_A-H3N8

Docking Scores:
-5.79 -6.25 -6.71
Similarity Score:
N/A
Best Match:
N/A

HA_A-H5N1

Docking Scores:
-5.58 -6.41 -6.68
Similarity Score:
N/A
Best Match:
N/A

HA_A-H5N3

Docking Scores:
-6.39 -6.74
Similarity Score:
N/A
Best Match:
N/A

HA_A-H6N1

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

HA_A-H6N6

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

HA_A-H7N2

Docking Scores:
-6.76 -6.34 -6.87
Similarity Score:
N/A
Best Match:
N/A

HA_A-H7N7

Docking Scores:
-6.80 -6.93
Similarity Score:
N/A
Best Match:
N/A

HA_A-H7N9

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

HA_INFB

Docking Scores:
-7.04 -6.86
Similarity Score:
N/A
Best Match:
N/A

HA_INFD

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

HE_BCV

Docking Scores:
-6.34 -6.55
Similarity Score:
N/A
Best Match:
N/A

HE_HCoV-OC43

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

HE_MHV

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

IN_HIV1

Docking Scores:
-5.41 -5.91
Similarity Score:
N/A
Best Match:
N/A

MD_HKU4

Docking Scores:
-8.08 -7.19 -8.57
Similarity Score:
N/A
Best Match:
N/A

MD_MERs

Docking Scores:
-8.38 -8.26
Similarity Score:
N/A
Best Match:
N/A

MX2_A-H5N1

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

NA_A-H11N6

Docking Scores:
-7.49 -8.19 -7.94
Similarity Score:
N/A
Best Match:
N/A

NA_A-H11N9

Docking Scores:
-7.31 -8.26 -8.42
Similarity Score:
N/A
Best Match:
N/A

NA_A-H12N5

Docking Scores:
-7.58 -8.64 -7.42
Similarity Score:
N/A
Best Match:
N/A

NA_A-H13N9

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

NA_A-H17N10

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

NA_A-H18N11

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

NA_A-H1N1

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

NA_A-H2N2

Docking Scores:
-7.81 -7.93 -7.90
Similarity Score:
N/A
Best Match:
N/A

NA_A-H3N2

Docking Scores:
-7.59 -7.50
Similarity Score:
N/A
Best Match:
N/A

NA_A-H3N8

Docking Scores:
-8.37 -8.35 -8.09
Similarity Score:
N/A
Best Match:
N/A

NA_A-H5N1

Docking Scores:
-8.30
Similarity Score:
N/A
Best Match:
N/A

NA_A-H7N9

Docking Scores:
-7.93 -8.03 -8.36
Similarity Score:
N/A
Best Match:
N/A

NA_INFB

Docking Scores:
-7.83 -8.09
Similarity Score:
21.22%
Best Match:
CHEMBL362993

NP_A-H1N1

Docking Scores:
-5.82 -6.71 -6.08
Similarity Score:
N/A
Best Match:
N/A

NP_A-H5N1

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

NP_HCoV-NL63

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

NP_HCoV-OC43

Docking Scores:
-7.69 -6.79 -6.85
Similarity Score:
11.03%
Best Match:
CHEMBL3233481

NP_INFB

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

NP_INFD

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

NP_SARS

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

NS3_HCV1A

Docking Scores:
-6.82 -6.14 -6.30
Similarity Score:
50.17%
Best Match:
CHEMBL3696815

NS3_HCV1B

Docking Scores:
-6.62 -6.24 -5.28
Similarity Score:
23.98%
Best Match:
CHEMBL297884

NS3_HCV3A

Docking Scores:
-7.47 -7.27 -7.46
Similarity Score:
N/A
Best Match:
N/A

NS5B_HCV1A

Docking Scores:
-7.87 -8.75 -8.86
Similarity Score:
26.36%
Best Match:
CHEMBL353549

NS5B_HCV1B

Docking Scores:
-8.12 -8.03 -7.90
Similarity Score:
67.51%
Best Match:
CHEMBL4111989

NS5B_HCV2A

Docking Scores:
-9.92 -8.77
Similarity Score:
N/A
Best Match:
N/A

NSP15_SARS

Docking Scores:
-6.95
Similarity Score:
18.75%
Best Match:
CHEMBL2441745

NSP1_INFB

Docking Scores:
-6.23 -5.74
Similarity Score:
N/A
Best Match:
N/A

NSP1_SARS

Docking Scores:
-6.20
Similarity Score:
18.75%
Best Match:
CHEMBL2441745

NSP3_HCoV-229E

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

NSP3_IBV

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

NSP3_MHV

Docking Scores:
-6.15
Similarity Score:
N/A
Best Match:
N/A

NSP9_HCoV-229E

Docking Scores:
-6.27 -6.75
Similarity Score:
N/A
Best Match:
N/A

PA_A-H17N10

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

PA_A-H1N1

Docking Scores:
-8.69 -7.82 -7.82
Similarity Score:
N/A
Best Match:
N/A

PA_A-H5N1

Docking Scores:
-8.76 -8.68 -8.58
Similarity Score:
N/A
Best Match:
N/A

PA_INFA

Docking Scores:
-8.30 -8.30 -7.79
Similarity Score:
19.75%
Best Match:
CHEMBL2443239

PA_INFB

Docking Scores:
-8.30
Similarity Score:
N/A
Best Match:
N/A

PB2_A-H3N2

Docking Scores:
-8.14 -7.25
Similarity Score:
N/A
Best Match:
N/A

PB2_A-H5N1

Docking Scores:
-6.86 -7.14 -7.58
Similarity Score:
N/A
Best Match:
N/A

PB2_INFB

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

PB3_A-H3N2

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

PB4_A-H3N2

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

PLP_SARS

Docking Scores:
-9.34 -9.32 -9.07
Similarity Score:
21.38%
Best Match:
CHEMBL225515

PR_FCoV

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

PR_HCoV-229E

Docking Scores:
-7.38 -6.56
Similarity Score:
N/A
Best Match:
N/A

PR_HCoV-NL63

Docking Scores:
-4.63 -7.74
Similarity Score:
N/A
Best Match:
N/A

PR_HIV1

Docking Scores:
-6.62 -7.13 -6.53
Similarity Score:
22.62%
Best Match:
CHEMBL494499

PR_HIV2

Docking Scores:
-6.85 -6.45
Similarity Score:
N/A
Best Match:
N/A

PR_HKU1

Docking Scores:
-6.98
Similarity Score:
N/A
Best Match:
N/A

PR_HKU4

Docking Scores:
-6.74 -6.94 -7.02
Similarity Score:
N/A
Best Match:
N/A

PR_IBV

Docking Scores:
-7.62
Similarity Score:
N/A
Best Match:
N/A

PR_MERs

Docking Scores:
-7.37 -7.91
Similarity Score:
N/A
Best Match:
N/A

PR_PEDV

Docking Scores:
-7.62
Similarity Score:
N/A
Best Match:
N/A

PR_SARS

Docking Scores:
-7.19 -7.01 -7.28
Similarity Score:
18.75%
Best Match:
CHEMBL2441745

PR_SARS2

Docking Scores:
-7.99
Similarity Score:
N/A
Best Match:
N/A

PR_TGEV

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

RT_HIV1

Docking Scores:
-8.97 -9.30 -8.71
Similarity Score:
28.68%
Best Match:
CHEMBL4108778

SPIKE_HCoV-229E

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

SPIKE_HCoV-NL63

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

SPIKE_HCoV-OC43

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

SPIKE_HKU4

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

SPIKE_IBV

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

SPIKE_MERs

Docking Scores:
-6.32 -6.33 -5.95
Similarity Score:
N/A
Best Match:
N/A

SPIKE_MHV

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

SPIKE_PDCoV

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

SPIKE_SARS

Docking Scores:
-5.99 -6.82
Similarity Score:
N/A
Best Match:
N/A

SPIKE_SARS2

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