Dolutegravir #131 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

GP160_HIV1

Docking Scores:
-8.59 -8.46 -7.22
Similarity Score:
N/A
Best Match:
N/A

GP160_HIV2

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

GP_EBOV

Docking Scores:
-9.11 -8.48 -8.71
Similarity Score:
30.84%
Best Match:
CHEMBL3125895

HA_A-H10N7

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

HA_A-H10N8

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

HA_A-H13N6

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

HA_A-H14N6

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

HA_A-H15N9

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

HA_A-H17N10

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

HA_A-H18N11

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

HA_A-H1N1

Docking Scores:
-7.64 -7.47
Similarity Score:
N/A
Best Match:
N/A

HA_A-H2N2

Docking Scores:
-8.06 -7.29
Similarity Score:
N/A
Best Match:
N/A

HA_A-H3N2

Docking Scores:
-7.54 -7.48 -7.21
Similarity Score:
N/A
Best Match:
N/A

HA_A-H3N8

Docking Scores:
-6.87 -7.42 -7.24
Similarity Score:
N/A
Best Match:
N/A

HA_A-H5N1

Docking Scores:
-7.48 -8.56 -8.00
Similarity Score:
N/A
Best Match:
N/A

HA_A-H5N3

Docking Scores:
-7.64 -7.45
Similarity Score:
N/A
Best Match:
N/A

HA_A-H6N1

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

HA_A-H6N6

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

HA_A-H7N2

Docking Scores:
-7.08 -7.09 -7.57
Similarity Score:
N/A
Best Match:
N/A

HA_A-H7N7

Docking Scores:
-6.91 -8.21
Similarity Score:
N/A
Best Match:
N/A

HA_A-H7N9

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

HA_INFB

Docking Scores:
-7.62 -7.57
Similarity Score:
N/A
Best Match:
N/A

HA_INFD

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

HE_BCV

Docking Scores:
-7.24 -6.81
Similarity Score:
N/A
Best Match:
N/A

HE_HCoV-OC43

Docking Scores:
-7.00
Similarity Score:
N/A
Best Match:
N/A

HE_MHV

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

IN_HIV1

Docking Scores:
-6.89 -6.96
Similarity Score:
N/A
Best Match:
N/A

MD_HKU4

Docking Scores:
-9.82 -9.34 -9.81
Similarity Score:
N/A
Best Match:
N/A

MD_MERs

Docking Scores:
-10.49 -9.56
Similarity Score:
N/A
Best Match:
N/A

MX2_A-H5N1

Docking Scores:
7.15
Similarity Score:
N/A
Best Match:
N/A

NA_A-H11N6

Docking Scores:
-9.18 -8.86 -8.66
Similarity Score:
N/A
Best Match:
N/A

NA_A-H11N9

Docking Scores:
-7.24 -9.61 -9.42
Similarity Score:
N/A
Best Match:
N/A

NA_A-H12N5

Docking Scores:
-8.52 -8.92 -9.02
Similarity Score:
N/A
Best Match:
N/A

NA_A-H13N9

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

NA_A-H17N10

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

NA_A-H18N11

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

NA_A-H1N1

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

NA_A-H2N2

Docking Scores:
-9.01 -9.18 -8.75
Similarity Score:
N/A
Best Match:
N/A

NA_A-H3N2

Docking Scores:
-8.86 -7.72
Similarity Score:
N/A
Best Match:
N/A

NA_A-H3N8

Docking Scores:
-9.02 -9.51 -8.84
Similarity Score:
N/A
Best Match:
N/A

NA_A-H5N1

Docking Scores:
-9.35
Similarity Score:
N/A
Best Match:
N/A

NA_A-H7N9

Docking Scores:
-9.53 -9.62 -9.53
Similarity Score:
N/A
Best Match:
N/A

NA_INFB

Docking Scores:
-8.54 -8.91
Similarity Score:
29.33%
Best Match:
CHEMBL4175983

NP_A-H1N1

Docking Scores:
-7.44 -7.37 -8.15
Similarity Score:
N/A
Best Match:
N/A

NP_A-H5N1

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

NP_HCoV-NL63

Docking Scores:
-8.44
Similarity Score:
N/A
Best Match:
N/A

NP_HCoV-OC43

Docking Scores:
-10.55 -9.25 -8.23
Similarity Score:
16.12%
Best Match:
CHEMBL3233481

NP_INFB

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

NP_INFD

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

NP_SARS

Docking Scores:
-8.44
Similarity Score:
N/A
Best Match:
N/A

NS3_HCV1A

Docking Scores:
-8.61 -6.84 -10.36
Similarity Score:
37.63%
Best Match:
CHEMBL3645743

NS3_HCV1B

Docking Scores:
-9.13 -9.51 -7.10
Similarity Score:
35.02%
Best Match:
CHEMBL3954962

NS3_HCV3A

Docking Scores:
-7.83 -8.36 -8.14
Similarity Score:
N/A
Best Match:
N/A

NS5B_HCV1A

Docking Scores:
-10.02 -10.07 -9.94
Similarity Score:
34.86%
Best Match:
CHEMBL3644880

NS5B_HCV1B

Docking Scores:
-8.99 -9.07 -9.62
Similarity Score:
35.74%
Best Match:
CHEMBL3645198

NS5B_HCV2A

Docking Scores:
-10.88 -11.13
Similarity Score:
N/A
Best Match:
N/A

NSP15_SARS

Docking Scores:
-7.23
Similarity Score:
23.72%
Best Match:
CHEMBL2441745

NSP1_INFB

Docking Scores:
-6.83 -6.94
Similarity Score:
N/A
Best Match:
N/A

NSP1_SARS

Docking Scores:
-7.63
Similarity Score:
23.72%
Best Match:
CHEMBL2441745

NSP3_HCoV-229E

Docking Scores:
-10.65
Similarity Score:
N/A
Best Match:
N/A

NSP3_IBV

Docking Scores:
-10.64
Similarity Score:
N/A
Best Match:
N/A

NSP3_MHV

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

NSP9_HCoV-229E

Docking Scores:
-7.52 -7.65
Similarity Score:
N/A
Best Match:
N/A

PA_A-H17N10

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

PA_A-H1N1

Docking Scores:
-9.95 -9.58 -9.08
Similarity Score:
N/A
Best Match:
N/A

PA_A-H5N1

Docking Scores:
-9.46 -9.44 -9.14
Similarity Score:
N/A
Best Match:
N/A

PA_INFA

Docking Scores:
-9.60 -8.68 -9.15
Similarity Score:
30.96%
Best Match:
CHEMBL2040578

PA_INFB

Docking Scores:
-9.25
Similarity Score:
N/A
Best Match:
N/A

PB2_A-H3N2

Docking Scores:
-9.33 -8.59
Similarity Score:
N/A
Best Match:
N/A

PB2_A-H5N1

Docking Scores:
-8.31 -8.68 -8.24
Similarity Score:
N/A
Best Match:
N/A

PB2_INFB

Docking Scores:
-9.51
Similarity Score:
N/A
Best Match:
N/A

PB3_A-H3N2

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

PB4_A-H3N2

Docking Scores:
-9.49
Similarity Score:
N/A
Best Match:
N/A

PLP_SARS

Docking Scores:
-9.84 -10.75 -9.58
Similarity Score:
28.87%
Best Match:
CHEMBL212080

PR_FCoV

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

PR_HCoV-229E

Docking Scores:
-7.77 -7.81
Similarity Score:
N/A
Best Match:
N/A

PR_HCoV-NL63

Docking Scores:
-5.58 -8.36
Similarity Score:
N/A
Best Match:
N/A

PR_HIV1

Docking Scores:
-7.67 -8.22 -8.24
Similarity Score:
24.50%
Best Match:
CHEMBL3645128

PR_HIV2

Docking Scores:
-8.81 -7.24
Similarity Score:
N/A
Best Match:
N/A

PR_HKU1

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

PR_HKU4

Docking Scores:
-8.17 -8.25 -8.08
Similarity Score:
N/A
Best Match:
N/A

PR_IBV

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

PR_MERs

Docking Scores:
-8.53 -8.58
Similarity Score:
N/A
Best Match:
N/A

PR_PEDV

Docking Scores:
-8.32
Similarity Score:
N/A
Best Match:
N/A

PR_SARS

Docking Scores:
-9.05 -8.05 -8.10
Similarity Score:
23.72%
Best Match:
CHEMBL2441745

PR_SARS2

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

PR_TGEV

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

RT_HIV1

Docking Scores:
-9.76 -9.88 -10.06
Similarity Score:
30.61%
Best Match:
CHEMBL4109767

SPIKE_HCoV-229E

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

SPIKE_HCoV-NL63

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

SPIKE_HCoV-OC43

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

SPIKE_HKU4

Docking Scores:
-9.28
Similarity Score:
N/A
Best Match:
N/A

SPIKE_IBV

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

SPIKE_MERs

Docking Scores:
-7.68 -7.63 -6.63
Similarity Score:
N/A
Best Match:
N/A

SPIKE_MHV

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

SPIKE_PDCoV

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

SPIKE_SARS

Docking Scores:
-7.03 -7.31
Similarity Score:
N/A
Best Match:
N/A

SPIKE_SARS2

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