Compound test #238 Output - VIRUS-CKB

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Compound test #238 Output Download CSV

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Gene Protein

The docking scores are in the AutoDock Vina metric.

ACE2_HUMAN

Docking Scores:
-9.33
Similarity Score:
25.00%
Best Match:
CHEMBL258333

GP160_HIV1

Docking Scores:
-6.16 -6.45 -6.39
Similarity Score:
N/A
Best Match:
N/A

GP160_HIV2

Docking Scores:
-6.92
Similarity Score:
N/A
Best Match:
N/A

GP_EBOV

Docking Scores:
-8.24 -8.94 -7.82
Similarity Score:
16.74%
Best Match:
CHEMBL3125895

HA_A-H10N7

Docking Scores:
-7.84
Similarity Score:
N/A
Best Match:
N/A

HA_A-H10N8

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

HA_A-H13N6

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

HA_A-H14N6

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

HA_A-H15N9

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

HA_A-H17N10

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

HA_A-H18N11

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

HA_A-H1N1

Docking Scores:
-6.58 -6.77
Similarity Score:
N/A
Best Match:
N/A

HA_A-H2N2

Docking Scores:
-6.40 -6.43
Similarity Score:
N/A
Best Match:
N/A

HA_A-H3N2

Docking Scores:
-6.79 -6.86 -6.75
Similarity Score:
N/A
Best Match:
N/A

HA_A-H3N8

Docking Scores:
-6.69 -6.10 -6.22
Similarity Score:
N/A
Best Match:
N/A

HA_A-H5N1

Docking Scores:
-7.36 -7.06 -6.79
Similarity Score:
N/A
Best Match:
N/A

HA_A-H5N3

Docking Scores:
-7.11 -6.38
Similarity Score:
N/A
Best Match:
N/A

HA_A-H6N1

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

HA_A-H6N6

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

HA_A-H7N2

Docking Scores:
-6.65 -6.22 -6.94
Similarity Score:
N/A
Best Match:
N/A

HA_A-H7N7

Docking Scores:
-6.56 -6.94
Similarity Score:
N/A
Best Match:
N/A

HA_A-H7N9

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

HA_INFB

Docking Scores:
-7.15 -6.43
Similarity Score:
N/A
Best Match:
N/A

HA_INFD

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

HE_BCV

Docking Scores:
-7.43 -6.86
Similarity Score:
N/A
Best Match:
N/A

HE_HCoV-OC43

Docking Scores:
-6.69
Similarity Score:
N/A
Best Match:
N/A

HE_MHV

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

IN_HIV1

Docking Scores:
-6.47 -6.58
Similarity Score:
N/A
Best Match:
N/A

MD_HKU4

Docking Scores:
-9.01 -9.02 -8.76
Similarity Score:
N/A
Best Match:
N/A

MD_MERs

Docking Scores:
-9.11 -9.05
Similarity Score:
N/A
Best Match:
N/A

MTASE_SARS2

Docking Scores:
-7.06
Similarity Score:
N/A
Best Match:
N/A

MTASE_SARS2

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

MX2_A-H5N1

Docking Scores:
-8.39
Similarity Score:
N/A
Best Match:
N/A

NA_A-H11N6

Docking Scores:
-8.48 -8.19 -7.65
Similarity Score:
N/A
Best Match:
N/A

NA_A-H11N9

Docking Scores:
-6.79 -8.01 -8.29
Similarity Score:
N/A
Best Match:
N/A

NA_A-H12N5

Docking Scores:
-7.69 -8.40 -8.13
Similarity Score:
N/A
Best Match:
N/A

NA_A-H13N9

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

NA_A-H17N10

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

NA_A-H18N11

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

NA_A-H1N1

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

NA_A-H2N2

Docking Scores:
-8.45 -7.16 -8.50
Similarity Score:
N/A
Best Match:
N/A

NA_A-H3N2

Docking Scores:
-7.96 -7.30
Similarity Score:
N/A
Best Match:
N/A

NA_A-H3N8

Docking Scores:
-7.81 -7.84 -8.04
Similarity Score:
N/A
Best Match:
N/A

NA_A-H5N1

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

NA_A-H7N9

Docking Scores:
-7.71 -7.81 -8.16
Similarity Score:
N/A
Best Match:
N/A

NA_INFB

Docking Scores:
-7.94 -7.48
Similarity Score:
23.64%
Best Match:
CHEMBL4161935

NP_A-H1N1

Docking Scores:
-7.25 -7.86 -7.38
Similarity Score:
N/A
Best Match:
N/A

NP_A-H5N1

Docking Scores:
-7.36
Similarity Score:
N/A
Best Match:
N/A

NP_HCoV-NL63

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

NP_HCoV-OC43

Docking Scores:
-9.77 -8.06 -7.44
Similarity Score:
28.12%
Best Match:
CHEMBL3233481

NP_INFB

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

NP_INFD

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

NP_SARS

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

NS3_HCV1A

Docking Scores:
-8.50 -6.46 -8.11
Similarity Score:
35.04%
Best Match:
CHEMBL3939896

NS3_HCV1B

Docking Scores:
-8.43 -7.43 -6.56
Similarity Score:
22.27%
Best Match:
CHEMBL1170408

NS3_HCV3A

Docking Scores:
-7.56 -7.87 -7.28
Similarity Score:
N/A
Best Match:
N/A

NS5B_HCV1A

Docking Scores:
-8.65 -8.52 -8.33
Similarity Score:
26.70%
Best Match:
CHEMBL353549

NS5B_HCV1B

Docking Scores:
-8.83 -9.36 -9.00
Similarity Score:
26.37%
Best Match:
CHEMBL3645203

NS5B_HCV2A

Docking Scores:
-9.75 -8.97
Similarity Score:
N/A
Best Match:
N/A

NSP15_SARS

Docking Scores:
-7.77
Similarity Score:
21.99%
Best Match:
CHEMBL2441741

NSP15_SARS2

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

NSP1_INFB

Docking Scores:
-6.71 -6.79
Similarity Score:
N/A
Best Match:
N/A

NSP1_SARS

Docking Scores:
-6.70
Similarity Score:
21.99%
Best Match:
CHEMBL2441741

NSP3_HCoV-229E

Docking Scores:
-9.88
Similarity Score:
N/A
Best Match:
N/A

NSP3_IBV

Docking Scores:
-9.57
Similarity Score:
N/A
Best Match:
N/A

NSP3_MHV

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

NSP3_SARS2

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

NSP9_HCoV-229E

Docking Scores:
-8.03 -7.31
Similarity Score:
N/A
Best Match:
N/A

PA_A-H17N10

Docking Scores:
-7.39
Similarity Score:
N/A
Best Match:
N/A

PA_A-H1N1

Docking Scores:
-8.37 -8.15 -8.15
Similarity Score:
N/A
Best Match:
N/A

PA_A-H5N1

Docking Scores:
-8.47 -8.33 -8.23
Similarity Score:
N/A
Best Match:
N/A

PA_INFA

Docking Scores:
-8.84 -7.79 -7.59
Similarity Score:
31.13%
Best Match:
CHEMBL2040552

PA_INFB

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

PB2_A-H3N2

Docking Scores:
-8.30 -9.74
Similarity Score:
N/A
Best Match:
N/A

PB2_A-H5N1

Docking Scores:
-8.27 -8.06 -8.91
Similarity Score:
N/A
Best Match:
N/A

PB2_INFB

Docking Scores:
-9.09
Similarity Score:
N/A
Best Match:
N/A

PB3_A-H3N2

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

PB4_A-H3N2

Docking Scores:
-9.13
Similarity Score:
N/A
Best Match:
N/A

PLP_SARS

Docking Scores:
-9.66 -8.81 -9.04
Similarity Score:
42.37%
Best Match:
CHEMBL358279

PLP_SARS2

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

PR_FCoV

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

PR_HCoV-229E

Docking Scores:
-7.64 -7.19
Similarity Score:
N/A
Best Match:
N/A

PR_HCoV-NL63

Docking Scores:
-5.06 -7.76
Similarity Score:
N/A
Best Match:
N/A

PR_HIV1

Docking Scores:
-7.13 -7.14 -7.68
Similarity Score:
19.05%
Best Match:
CHEMBL492666

PR_HIV2

Docking Scores:
-8.34 -7.17
Similarity Score:
N/A
Best Match:
N/A

PR_HKU1

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

PR_HKU4

Docking Scores:
-7.41 -7.13 -7.45
Similarity Score:
N/A
Best Match:
N/A

PR_IBV

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

PR_MERs

Docking Scores:
-7.62 -7.59
Similarity Score:
N/A
Best Match:
N/A

PR_PEDV

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

PR_SARS

Docking Scores:
-7.47 -6.75 -7.53
Similarity Score:
21.99%
Best Match:
CHEMBL2441741

PR_SARS2

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

PR_TGEV

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

RDRP_SARS2

Docking Scores:
-6.55
Similarity Score:
12.41%
Best Match:
CHEMBL4065616

RT_HIV1

Docking Scores:
-10.79 -10.80 -10.63
Similarity Score:
30.65%
Best Match:
CHEMBL4227382

SPIKE_HCoV-229E

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

SPIKE_HCoV-NL63

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

SPIKE_HCoV-OC43

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

SPIKE_HKU4

Docking Scores:
-7.80
Similarity Score:
N/A
Best Match:
N/A

SPIKE_IBV

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

SPIKE_MERs

Docking Scores:
-7.35 -7.11 -6.10
Similarity Score:
N/A
Best Match:
N/A

SPIKE_MHV

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

SPIKE_PDCoV

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

SPIKE_SARS

Docking Scores:
-7.21 -7.37
Similarity Score:
N/A
Best Match:
N/A

SPIKE_SARS2

Docking Scores:
-6.66 -7.01 -7.14
Similarity Score:
N/A
Best Match:
N/A