X3 #194 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

ACE2_HUMAN

Docking Scores:
-8.41
Similarity Score:
37.10%
Best Match:
CHEMBL254703

GP160_HIV1

Docking Scores:
-7.28 -7.33 -5.73
Similarity Score:
N/A
Best Match:
N/A

GP160_HIV2

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

GP_EBOV

Docking Scores:
-6.73 -8.08 -7.70
Similarity Score:
16.67%
Best Match:
CHEMBL3125895

HA_A-H10N7

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

HA_A-H10N8

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

HA_A-H13N6

Docking Scores:
-5.98
Similarity Score:
N/A
Best Match:
N/A

HA_A-H14N6

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

HA_A-H15N9

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

HA_A-H17N10

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

HA_A-H18N11

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

HA_A-H1N1

Docking Scores:
-5.63 -5.67
Similarity Score:
N/A
Best Match:
N/A

HA_A-H2N2

Docking Scores:
-5.16 -5.55
Similarity Score:
N/A
Best Match:
N/A

HA_A-H3N2

Docking Scores:
-6.05 -5.83 -5.55
Similarity Score:
N/A
Best Match:
N/A

HA_A-H3N8

Docking Scores:
-5.02 -5.34 -5.42
Similarity Score:
N/A
Best Match:
N/A

HA_A-H5N1

Docking Scores:
-6.24 -6.23 -6.68
Similarity Score:
N/A
Best Match:
N/A

HA_A-H5N3

Docking Scores:
-6.15 -5.61
Similarity Score:
N/A
Best Match:
N/A

HA_A-H6N1

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

HA_A-H6N6

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

HA_A-H7N2

Docking Scores:
-5.20 -5.95 -5.36
Similarity Score:
N/A
Best Match:
N/A

HA_A-H7N7

Docking Scores:
-5.64 -5.80
Similarity Score:
N/A
Best Match:
N/A

HA_A-H7N9

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

HA_INFB

Docking Scores:
-5.95 -5.98
Similarity Score:
N/A
Best Match:
N/A

HA_INFD

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

HE_BCV

Docking Scores:
-5.62 -5.67
Similarity Score:
N/A
Best Match:
N/A

HE_HCoV-OC43

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

HE_MHV

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

IN_HIV1

Docking Scores:
-5.22 -5.39
Similarity Score:
N/A
Best Match:
N/A

MD_HKU4

Docking Scores:
-8.66 -7.71 -8.11
Similarity Score:
N/A
Best Match:
N/A

MD_MERs

Docking Scores:
-8.78 -8.33
Similarity Score:
N/A
Best Match:
N/A

MTASE_SARS2

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

MTASE_SARS2

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

MX2_A-H5N1

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

NA_A-H11N6

Docking Scores:
-7.24 -6.87 -6.88
Similarity Score:
N/A
Best Match:
N/A

NA_A-H11N9

Docking Scores:
-7.91 -6.83 -7.42
Similarity Score:
N/A
Best Match:
N/A

NA_A-H12N5

Docking Scores:
-6.53 -7.43 -7.21
Similarity Score:
N/A
Best Match:
N/A

NA_A-H13N9

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

NA_A-H17N10

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

NA_A-H18N11

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

NA_A-H1N1

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

NA_A-H2N2

Docking Scores:
-6.86 -6.34 -6.39
Similarity Score:
N/A
Best Match:
N/A

NA_A-H3N2

Docking Scores:
-5.95 -6.99
Similarity Score:
N/A
Best Match:
N/A

NA_A-H3N8

Docking Scores:
-6.62 -7.68 -6.67
Similarity Score:
N/A
Best Match:
N/A

NA_A-H5N1

Docking Scores:
-6.65
Similarity Score:
N/A
Best Match:
N/A

NA_A-H7N9

Docking Scores:
-6.46 -6.77 -6.64
Similarity Score:
N/A
Best Match:
N/A

NA_INFB

Docking Scores:
-7.20 -6.00
Similarity Score:
19.77%
Best Match:
CHEMBL4161935

NP_A-H1N1

Docking Scores:
-5.46 -7.59 -6.21
Similarity Score:
N/A
Best Match:
N/A

NP_A-H5N1

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

NP_HCoV-NL63

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

NP_HCoV-OC43

Docking Scores:
-7.99 -7.62 -6.45
Similarity Score:
12.93%
Best Match:
CHEMBL3233481

NP_INFB

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

NP_INFD

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

NP_SARS

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

NS3_HCV1A

Docking Scores:
-5.53 -5.63 -7.16
Similarity Score:
30.83%
Best Match:
CHEMBL4110238

NS3_HCV1B

Docking Scores:
-8.13 -7.58 -5.73
Similarity Score:
21.49%
Best Match:
CHEMBL1170408

NS3_HCV3A

Docking Scores:
-5.93 -5.91 -6.14
Similarity Score:
N/A
Best Match:
N/A

NS5B_HCV1A

Docking Scores:
-7.75 -8.39 -8.39
Similarity Score:
22.22%
Best Match:
CHEMBL446360

NS5B_HCV1B

Docking Scores:
-6.99 -8.28 -7.36
Similarity Score:
23.38%
Best Match:
CHEMBL3645195

NS5B_HCV2A

Docking Scores:
-8.99 -8.94
Similarity Score:
N/A
Best Match:
N/A

NSP15_SARS

Docking Scores:
-6.62
Similarity Score:
25.38%
Best Match:
CHEMBL221366

NSP15_SARS2

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

NSP1_INFB

Docking Scores:
-6.06 -4.98
Similarity Score:
N/A
Best Match:
N/A

NSP1_SARS

Docking Scores:
-5.43
Similarity Score:
25.38%
Best Match:
CHEMBL221366

NSP3_HCoV-229E

Docking Scores:
-8.72
Similarity Score:
N/A
Best Match:
N/A

NSP3_IBV

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

NSP3_MHV

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

NSP3_SARS2

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

NSP9_HCoV-229E

Docking Scores:
-6.70 -5.91
Similarity Score:
N/A
Best Match:
N/A

PA_A-H17N10

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

PA_A-H1N1

Docking Scores:
-8.28 -7.28 -6.81
Similarity Score:
N/A
Best Match:
N/A

PA_A-H5N1

Docking Scores:
-7.14 -6.81 -6.83
Similarity Score:
N/A
Best Match:
N/A

PA_INFA

Docking Scores:
-8.42 -6.97 -7.50
Similarity Score:
28.18%
Best Match:
CHEMBL3600947

PA_INFB

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

PB2_A-H3N2

Docking Scores:
-6.88 -7.28
Similarity Score:
N/A
Best Match:
N/A

PB2_A-H5N1

Docking Scores:
-6.80 -6.70 -7.90
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:
-7.08
Similarity Score:
N/A
Best Match:
N/A

PB4_A-H3N2

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

PLP_SARS

Docking Scores:
-7.35 -8.90 -8.32
Similarity Score:
33.88%
Best Match:
CHEMBL222735

PLP_SARS2

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

PR_FCoV

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

PR_HCoV-229E

Docking Scores:
-7.41 -7.16
Similarity Score:
N/A
Best Match:
N/A

PR_HCoV-NL63

Docking Scores:
-4.08 -6.49
Similarity Score:
N/A
Best Match:
N/A

PR_HIV1

Docking Scores:
-6.44 -6.47 -6.63
Similarity Score:
19.66%
Best Match:
CHEMBL510485

PR_HIV2

Docking Scores:
-6.47 -5.66
Similarity Score:
N/A
Best Match:
N/A

PR_HKU1

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

PR_HKU4

Docking Scores:
-6.27 -7.60 -6.60
Similarity Score:
N/A
Best Match:
N/A

PR_IBV

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

PR_MERs

Docking Scores:
-7.40 -7.30
Similarity Score:
N/A
Best Match:
N/A

PR_PEDV

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

PR_SARS

Docking Scores:
-7.32 -6.35 -6.83
Similarity Score:
25.38%
Best Match:
CHEMBL221366

PR_SARS2

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

PR_TGEV

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

RDRP_SARS2

Docking Scores:
-5.70
Similarity Score:
13.24%
Best Match:
CHEMBL4065616

RT_HIV1

Docking Scores:
-9.26 -9.57 -9.79
Similarity Score:
22.14%
Best Match:
CHEMBL4225753

SPIKE_HCoV-229E

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

SPIKE_HCoV-NL63

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

SPIKE_HCoV-OC43

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

SPIKE_HKU4

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

SPIKE_IBV

Docking Scores:
-5.75
Similarity Score:
N/A
Best Match:
N/A

SPIKE_MERs

Docking Scores:
-6.14 -5.59 -6.06
Similarity Score:
N/A
Best Match:
N/A

SPIKE_MHV

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

SPIKE_PDCoV

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

SPIKE_SARS

Docking Scores:
-5.78 -5.59
Similarity Score:
N/A
Best Match:
N/A

SPIKE_SARS2

Docking Scores:
-5.96 -5.61 -5.58
Similarity Score:
N/A
Best Match:
N/A