Sitagliptin #236 Output - VIRUS-CKB

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Sitagliptin #236 Output Download CSV

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Gene Protein

The docking scores are in the AutoDock Vina metric.

ACE2_HUMAN

Docking Scores:
-9.97
Similarity Score:
32.07%
Best Match:
CHEMBL402987

GP160_HIV1

Docking Scores:
-8.41 -7.94 -6.82
Similarity Score:
N/A
Best Match:
N/A

GP160_HIV2

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

GP_EBOV

Docking Scores:
-7.94 -8.36 -8.16
Similarity Score:
28.12%
Best Match:
CHEMBL3125895

HA_A-H10N7

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

HA_A-H10N8

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

HA_A-H13N6

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

HA_A-H14N6

Docking Scores:
-7.73
Similarity Score:
N/A
Best Match:
N/A

HA_A-H15N9

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

HA_A-H17N10

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

HA_A-H18N11

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

HA_A-H1N1

Docking Scores:
-7.55 -7.13
Similarity Score:
N/A
Best Match:
N/A

HA_A-H2N2

Docking Scores:
-7.14 -6.72
Similarity Score:
N/A
Best Match:
N/A

HA_A-H3N2

Docking Scores:
-8.05 -8.02 -7.46
Similarity Score:
N/A
Best Match:
N/A

HA_A-H3N8

Docking Scores:
-7.07 -7.35 -6.43
Similarity Score:
N/A
Best Match:
N/A

HA_A-H5N1

Docking Scores:
-6.99 -7.64 -7.14
Similarity Score:
N/A
Best Match:
N/A

HA_A-H5N3

Docking Scores:
-7.22 -7.21
Similarity Score:
N/A
Best Match:
N/A

HA_A-H6N1

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

HA_A-H6N6

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

HA_A-H7N2

Docking Scores:
-7.51 -6.36 -6.96
Similarity Score:
N/A
Best Match:
N/A

HA_A-H7N7

Docking Scores:
-7.07 -7.85
Similarity Score:
N/A
Best Match:
N/A

HA_A-H7N9

Docking Scores:
-7.20
Similarity Score:
N/A
Best Match:
N/A

HA_INFB

Docking Scores:
-7.41 -6.88
Similarity Score:
N/A
Best Match:
N/A

HA_INFD

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

HE_BCV

Docking Scores:
-7.54 -7.36
Similarity Score:
N/A
Best Match:
N/A

HE_HCoV-OC43

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

HE_MHV

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

IN_HIV1

Docking Scores:
-6.53 -6.57
Similarity Score:
N/A
Best Match:
N/A

MD_HKU4

Docking Scores:
-10.44 -10.17 -9.49
Similarity Score:
N/A
Best Match:
N/A

MD_MERs

Docking Scores:
-10.03 -9.26
Similarity Score:
N/A
Best Match:
N/A

MTASE_SARS2

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

MTASE_SARS2

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

MX2_A-H5N1

Docking Scores:
-10.18
Similarity Score:
N/A
Best Match:
N/A

NA_A-H11N6

Docking Scores:
-8.55 -8.23 -8.39
Similarity Score:
N/A
Best Match:
N/A

NA_A-H11N9

Docking Scores:
-8.22 -7.98 -7.88
Similarity Score:
N/A
Best Match:
N/A

NA_A-H12N5

Docking Scores:
-8.53 -8.28 -8.33
Similarity Score:
N/A
Best Match:
N/A

NA_A-H13N9

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

NA_A-H17N10

Docking Scores:
-7.66
Similarity Score:
N/A
Best Match:
N/A

NA_A-H18N11

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

NA_A-H1N1

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

NA_A-H2N2

Docking Scores:
-7.94 -8.97 -7.75
Similarity Score:
N/A
Best Match:
N/A

NA_A-H3N2

Docking Scores:
-8.11 -7.50
Similarity Score:
N/A
Best Match:
N/A

NA_A-H3N8

Docking Scores:
-8.02 -8.53 -8.92
Similarity Score:
N/A
Best Match:
N/A

NA_A-H5N1

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

NA_A-H7N9

Docking Scores:
-8.30 -8.52 -8.24
Similarity Score:
N/A
Best Match:
N/A

NA_INFB

Docking Scores:
-7.56 -8.11
Similarity Score:
32.67%
Best Match:
CHEMBL113191

NP_A-H1N1

Docking Scores:
-7.10 -7.00 -7.32
Similarity Score:
N/A
Best Match:
N/A

NP_A-H5N1

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

NP_HCoV-NL63

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

NP_HCoV-OC43

Docking Scores:
-9.45 -7.89 -7.46
Similarity Score:
12.70%
Best Match:
CHEMBL3233481

NP_INFB

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

NP_INFD

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

NP_SARS

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

NS3_HCV1A

Docking Scores:
-7.72 -6.91 -9.11
Similarity Score:
34.00%
Best Match:
CHEMBL3914973

NS3_HCV1B

Docking Scores:
-9.58 -8.98 -6.74
Similarity Score:
29.11%
Best Match:
CHEMBL3954962

NS3_HCV3A

Docking Scores:
-8.19 -7.88 -7.28
Similarity Score:
N/A
Best Match:
N/A

NS5B_HCV1A

Docking Scores:
-9.09 -9.22 -8.92
Similarity Score:
37.93%
Best Match:
CHEMBL68034

NS5B_HCV1B

Docking Scores:
-8.27 -9.31 -9.19
Similarity Score:
32.61%
Best Match:
CHEMBL3645214

NS5B_HCV2A

Docking Scores:
-10.17 -10.28
Similarity Score:
N/A
Best Match:
N/A

NSP15_SARS

Docking Scores:
-7.42
Similarity Score:
29.67%
Best Match:
CHEMBL2441745

NSP15_SARS2

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

NSP1_INFB

Docking Scores:
-6.57 -6.46
Similarity Score:
N/A
Best Match:
N/A

NSP1_SARS

Docking Scores:
-6.12
Similarity Score:
29.67%
Best Match:
CHEMBL2441745

NSP3_HCoV-229E

Docking Scores:
-10.70
Similarity Score:
N/A
Best Match:
N/A

NSP3_IBV

Docking Scores:
-10.30
Similarity Score:
N/A
Best Match:
N/A

NSP3_MHV

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

NSP3_SARS2

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

NSP9_HCoV-229E

Docking Scores:
-7.57 -7.19
Similarity Score:
N/A
Best Match:
N/A

PA_A-H17N10

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

PA_A-H1N1

Docking Scores:
-8.94 -8.31 -8.98
Similarity Score:
N/A
Best Match:
N/A

PA_A-H5N1

Docking Scores:
-8.74 -8.31 -8.67
Similarity Score:
N/A
Best Match:
N/A

PA_INFA

Docking Scores:
-9.48 -8.14 -9.48
Similarity Score:
31.05%
Best Match:
CHEMBL278402

PA_INFB

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

PB2_A-H3N2

Docking Scores:
-8.08 -7.90
Similarity Score:
N/A
Best Match:
N/A

PB2_A-H5N1

Docking Scores:
-8.70 -7.70 -7.72
Similarity Score:
N/A
Best Match:
N/A

PB2_INFB

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

PB3_A-H3N2

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

PB4_A-H3N2

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

PLP_SARS

Docking Scores:
-9.48 -10.00 -9.20
Similarity Score:
24.77%
Best Match:
CHEMBL213543

PLP_SARS2

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

PR_FCoV

Docking Scores:
-8.05
Similarity Score:
N/A
Best Match:
N/A

PR_HCoV-229E

Docking Scores:
-8.03 -7.68
Similarity Score:
N/A
Best Match:
N/A

PR_HCoV-NL63

Docking Scores:
-4.92 -8.79
Similarity Score:
N/A
Best Match:
N/A

PR_HIV1

Docking Scores:
-6.97 -7.30 -6.66
Similarity Score:
25.62%
Best Match:
CHEMBL3645124

PR_HIV2

Docking Scores:
-7.28 -6.84
Similarity Score:
N/A
Best Match:
N/A

PR_HKU1

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

PR_HKU4

Docking Scores:
-8.25 -7.64 -7.41
Similarity Score:
N/A
Best Match:
N/A

PR_IBV

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

PR_MERs

Docking Scores:
-8.55 -8.17
Similarity Score:
N/A
Best Match:
N/A

PR_PEDV

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

PR_SARS

Docking Scores:
-8.06 -8.26 -8.33
Similarity Score:
29.67%
Best Match:
CHEMBL2441745

PR_SARS2

Docking Scores:
-8.20
Similarity Score:
N/A
Best Match:
N/A

PR_TGEV

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

RDRP_SARS2

Docking Scores:
-7.23
Similarity Score:
19.71%
Best Match:
CHEMBL4065616

RT_HIV1

Docking Scores:
-9.89 -10.59 -10.22
Similarity Score:
34.03%
Best Match:
CHEMBL4225865

SPIKE_HCoV-229E

Docking Scores:
-5.24
Similarity Score:
N/A
Best Match:
N/A

SPIKE_HCoV-NL63

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

SPIKE_HCoV-OC43

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

SPIKE_HKU4

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

SPIKE_IBV

Docking Scores:
-6.73
Similarity Score:
N/A
Best Match:
N/A

SPIKE_MERs

Docking Scores:
-7.49 -7.58 -6.03
Similarity Score:
N/A
Best Match:
N/A

SPIKE_MHV

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

SPIKE_PDCoV

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

SPIKE_SARS

Docking Scores:
-7.14 -7.41
Similarity Score:
N/A
Best Match:
N/A

SPIKE_SARS2

Docking Scores:
-6.25 -6.24 -6.40
Similarity Score:
N/A
Best Match:
N/A