AAR #343 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

ACE2_HUMAN

Docking Scores:
-1.73
Similarity Score:
2.04%
Best Match:
CHEMBL401086

GP160_HIV1

Docking Scores:
-1.69 -1.69 -1.83
Similarity Score:
N/A
Best Match:
N/A

GP160_HIV2

Docking Scores:
-2.11
Similarity Score:
N/A
Best Match:
N/A

GP_EBOV

Docking Scores:
-1.54 -1.93 -1.86
Similarity Score:
3.23%
Best Match:
CHEMBL112570

HA_A-H10N7

Docking Scores:
-1.74
Similarity Score:
N/A
Best Match:
N/A

HA_A-H10N8

Docking Scores:
-1.85
Similarity Score:
N/A
Best Match:
N/A

HA_A-H13N6

Docking Scores:
-1.54
Similarity Score:
N/A
Best Match:
N/A

HA_A-H14N6

Docking Scores:
-1.33
Similarity Score:
N/A
Best Match:
N/A

HA_A-H15N9

Docking Scores:
-1.54
Similarity Score:
N/A
Best Match:
N/A

HA_A-H17N10

Docking Scores:
-1.12
Similarity Score:
N/A
Best Match:
N/A

HA_A-H18N11

Docking Scores:
-1.28
Similarity Score:
N/A
Best Match:
N/A

HA_A-H1N1

Docking Scores:
-1.63 -1.56
Similarity Score:
N/A
Best Match:
N/A

HA_A-H2N2

Docking Scores:
-1.06 -1.17
Similarity Score:
N/A
Best Match:
N/A

HA_A-H3N2

Docking Scores:
-1.02 -1.17 -1.58
Similarity Score:
N/A
Best Match:
N/A

HA_A-H3N8

Docking Scores:
-1.70 -1.33 -1.61
Similarity Score:
N/A
Best Match:
N/A

HA_A-H5N1

Docking Scores:
-1.38 -1.63 -1.39
Similarity Score:
N/A
Best Match:
N/A

HA_A-H5N3

Docking Scores:
-1.69 -1.69
Similarity Score:
N/A
Best Match:
N/A

HA_A-H6N1

Docking Scores:
-1.85
Similarity Score:
N/A
Best Match:
N/A

HA_A-H6N6

Docking Scores:
-1.74
Similarity Score:
N/A
Best Match:
N/A

HA_A-H7N2

Docking Scores:
-1.38 -1.54 -1.68
Similarity Score:
N/A
Best Match:
N/A

HA_A-H7N7

Docking Scores:
-1.87 -1.70
Similarity Score:
N/A
Best Match:
N/A

HA_A-H7N9

Docking Scores:
-1.69
Similarity Score:
N/A
Best Match:
N/A

HA_INFB

Docking Scores:
-1.28 -1.77
Similarity Score:
N/A
Best Match:
N/A

HA_INFD

Docking Scores:
-1.93
Similarity Score:
N/A
Best Match:
N/A

HE_BCV

Docking Scores:
-1.89 -1.40
Similarity Score:
N/A
Best Match:
N/A

HE_HCoV-OC43

Docking Scores:
-1.52
Similarity Score:
N/A
Best Match:
N/A

HE_MHV

Docking Scores:
-2.01
Similarity Score:
N/A
Best Match:
N/A

IN_HIV1

Docking Scores:
-1.60 -1.57
Similarity Score:
N/A
Best Match:
N/A

MD_HKU4

Docking Scores:
-1.80 -1.24 -1.67
Similarity Score:
N/A
Best Match:
N/A

MD_MERs

Docking Scores:
-1.85 -1.77
Similarity Score:
N/A
Best Match:
N/A

MTASE_SARS2

Docking Scores:
-1.56
Similarity Score:
N/A
Best Match:
N/A

MTASE_SARS2

Docking Scores:
-1.48
Similarity Score:
N/A
Best Match:
N/A

MX2_A-H5N1

Docking Scores:
-1.50
Similarity Score:
N/A
Best Match:
N/A

NA_A-H11N6

Docking Scores:
-1.48 -1.51 -1.50
Similarity Score:
N/A
Best Match:
N/A

NA_A-H11N9

Docking Scores:
-2.04 -1.82 -1.91
Similarity Score:
N/A
Best Match:
N/A

NA_A-H12N5

Docking Scores:
-1.91 -1.64 -1.79
Similarity Score:
N/A
Best Match:
N/A

NA_A-H13N9

Docking Scores:
-1.88
Similarity Score:
N/A
Best Match:
N/A

NA_A-H17N10

Docking Scores:
-1.76
Similarity Score:
N/A
Best Match:
N/A

NA_A-H18N11

Docking Scores:
-1.51
Similarity Score:
N/A
Best Match:
N/A

NA_A-H1N1

Docking Scores:
-1.97
Similarity Score:
N/A
Best Match:
N/A

NA_A-H2N2

Docking Scores:
-1.79 -1.67 -1.85
Similarity Score:
N/A
Best Match:
N/A

NA_A-H3N2

Docking Scores:
-1.38 -1.76
Similarity Score:
N/A
Best Match:
N/A

NA_A-H3N8

Docking Scores:
-1.44 -1.98 -1.66
Similarity Score:
N/A
Best Match:
N/A

NA_A-H5N1

Docking Scores:
-2.02
Similarity Score:
N/A
Best Match:
N/A

NA_A-H7N9

Docking Scores:
-1.97 -1.90 -1.78
Similarity Score:
N/A
Best Match:
N/A

NA_INFB

Docking Scores:
-1.52 -1.52
Similarity Score:
1.59%
Best Match:
CHEMBL335808

NP_A-H1N1

Docking Scores:
-2.00 -1.61 -1.50
Similarity Score:
N/A
Best Match:
N/A

NP_A-H5N1

Docking Scores:
-1.57
Similarity Score:
N/A
Best Match:
N/A

NP_HCoV-NL63

Docking Scores:
-1.17
Similarity Score:
N/A
Best Match:
N/A

NP_HCoV-OC43

Docking Scores:
-1.89 -1.92 -1.91
Similarity Score:
1.56%
Best Match:
CHEMBL3233481

NP_INFB

Docking Scores:
-1.11
Similarity Score:
N/A
Best Match:
N/A

NP_INFD

Docking Scores:
-1.32
Similarity Score:
N/A
Best Match:
N/A

NP_SARS

Docking Scores:
-2.19
Similarity Score:
N/A
Best Match:
N/A

NS3_HCV1A

Docking Scores:
-1.75 -1.70 -1.50
Similarity Score:
1.47%
Best Match:
CHEMBL4110799

NS3_HCV1B

Docking Scores:
-1.75 -1.59 -1.31
Similarity Score:
1.25%
Best Match:
CHEMBL3921185

NS3_HCV3A

Docking Scores:
-1.53 -1.52 -1.49
Similarity Score:
N/A
Best Match:
N/A

NS5B_HCV1A

Docking Scores:
-1.81 -1.77 -1.97
Similarity Score:
1.25%
Best Match:
CHEMBL13443

NS5B_HCV1B

Docking Scores:
-1.61 -1.98 -1.58
Similarity Score:
0.58%
Best Match:
CHEMBL3645203

NS5B_HCV2A

Docking Scores:
-2.04 -2.08
Similarity Score:
N/A
Best Match:
N/A

NSP15_SARS

Docking Scores:
-1.34
Similarity Score:
1.64%
Best Match:
CHEMBL1092796

NSP15_SARS2

Docking Scores:
-1.40
Similarity Score:
N/A
Best Match:
N/A

NSP1_INFB

Docking Scores:
-1.42 -1.51
Similarity Score:
N/A
Best Match:
N/A

NSP1_SARS

Docking Scores:
-1.51
Similarity Score:
1.64%
Best Match:
CHEMBL1092796

NSP3_HCoV-229E

Docking Scores:
-1.73
Similarity Score:
N/A
Best Match:
N/A

NSP3_IBV

Docking Scores:
-1.86
Similarity Score:
N/A
Best Match:
N/A

NSP3_MHV

Docking Scores:
-1.61
Similarity Score:
N/A
Best Match:
N/A

NSP3_SARS2

Docking Scores:
-1.64
Similarity Score:
N/A
Best Match:
N/A

NSP9_HCoV-229E

Docking Scores:
-1.76 -2.16
Similarity Score:
N/A
Best Match:
N/A

PA_A-H17N10

Docking Scores:
-1.79
Similarity Score:
N/A
Best Match:
N/A

PA_A-H1N1

Docking Scores:
-1.54 -1.78 -1.92
Similarity Score:
N/A
Best Match:
N/A

PA_A-H5N1

Docking Scores:
-1.86 -1.93 -1.87
Similarity Score:
N/A
Best Match:
N/A

PA_INFA

Docking Scores:
-1.72 -1.45 -1.84
Similarity Score:
1.64%
Best Match:
CHEMBL1829211

PA_INFB

Docking Scores:
-1.55
Similarity Score:
N/A
Best Match:
N/A

PB2_A-H3N2

Docking Scores:
-1.86 -1.92
Similarity Score:
N/A
Best Match:
N/A

PB2_A-H5N1

Docking Scores:
-1.63 -1.73 -1.68
Similarity Score:
N/A
Best Match:
N/A

PB2_INFB

Docking Scores:
-1.57
Similarity Score:
N/A
Best Match:
N/A

PB3_A-H3N2

Docking Scores:
-1.88
Similarity Score:
N/A
Best Match:
N/A

PB4_A-H3N2

Docking Scores:
-1.17
Similarity Score:
N/A
Best Match:
N/A

PLP_SARS

Docking Scores:
-1.78 -1.97 -1.67
Similarity Score:
1.32%
Best Match:
CHEMBL212454

PLP_SARS2

Docking Scores:
-1.89
Similarity Score:
N/A
Best Match:
N/A

PR_FCoV

Docking Scores:
-1.32
Similarity Score:
N/A
Best Match:
N/A

PR_HCoV-229E

Docking Scores:
-1.34 -1.35
Similarity Score:
N/A
Best Match:
N/A

PR_HCoV-NL63

Docking Scores:
-1.38 -1.46
Similarity Score:
N/A
Best Match:
N/A

PR_HIV1

Docking Scores:
-1.49 -1.36 -1.27
Similarity Score:
0.71%
Best Match:
CHEMBL492666

PR_HIV2

Docking Scores:
-1.50 -1.31
Similarity Score:
N/A
Best Match:
N/A

PR_HKU1

Docking Scores:
-1.24
Similarity Score:
N/A
Best Match:
N/A

PR_HKU4

Docking Scores:
-1.43 -1.30 -1.54
Similarity Score:
N/A
Best Match:
N/A

PR_IBV

Docking Scores:
-1.64
Similarity Score:
N/A
Best Match:
N/A

PR_MERs

Docking Scores:
-1.32 -1.45
Similarity Score:
N/A
Best Match:
N/A

PR_PEDV

Docking Scores:
-1.45
Similarity Score:
N/A
Best Match:
N/A

PR_SARS

Docking Scores:
-1.23 -1.46 -1.16
Similarity Score:
1.64%
Best Match:
CHEMBL1092796

PR_SARS2

Docking Scores:
-1.16
Similarity Score:
N/A
Best Match:
N/A

PR_TGEV

Docking Scores:
-1.30
Similarity Score:
N/A
Best Match:
N/A

RDRP_SARS2

Docking Scores:
-1.59
Similarity Score:
0.39%
Best Match:
CHEMBL4065616

RT_HIV1

Docking Scores:
-2.05 -2.25 -2.37
Similarity Score:
2.13%
Best Match:
CHEMBL404519

SPIKE_HCoV-229E

Docking Scores:
-1.08
Similarity Score:
N/A
Best Match:
N/A

SPIKE_HCoV-NL63

Docking Scores:
-1.15
Similarity Score:
N/A
Best Match:
N/A

SPIKE_HCoV-OC43

Docking Scores:
-1.62
Similarity Score:
N/A
Best Match:
N/A

SPIKE_HKU4

Docking Scores:
-1.53
Similarity Score:
N/A
Best Match:
N/A

SPIKE_IBV

Docking Scores:
-1.47
Similarity Score:
N/A
Best Match:
N/A

SPIKE_MERs

Docking Scores:
-1.17 -1.19 -1.15
Similarity Score:
N/A
Best Match:
N/A

SPIKE_MHV

Docking Scores:
-1.23
Similarity Score:
N/A
Best Match:
N/A

SPIKE_PDCoV

Docking Scores:
-1.47
Similarity Score:
N/A
Best Match:
N/A

SPIKE_SARS

Docking Scores:
-1.23 -1.27
Similarity Score:
N/A
Best Match:
N/A

SPIKE_SARS2

Docking Scores:
-1.23 -1.11 -1.12
Similarity Score:
N/A
Best Match:
N/A