PSP_case1_Yiyang #523 Output - VIRUS-CKB

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PSP_case1_Yiyang #523 Output Download CSV

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Gene Protein

The docking scores are in the AutoDock Vina metric.

2A_HE71

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

2A_HE71M

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

2C_HE71

Docking Scores:
-5.55 -6.93
Similarity Score:
N/A
Best Match:
N/A

3A_9ENTO

Docking Scores:
-5.05
Similarity Score:
N/A
Best Match:
N/A

3A_HE71M

Docking Scores:
-4.97
Similarity Score:
N/A
Best Match:
N/A

3A_HED68

Docking Scores:
-5.74
Similarity Score:
N/A
Best Match:
N/A

3C_HE71

Docking Scores:
-6.02 -6.00
Similarity Score:
N/A
Best Match:
N/A

3C_HED68

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

3D_HE71

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

3D_HED68

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

ACE2_HUMAN

Docking Scores:
-8.47
Similarity Score:
27.93%
Best Match:
CHEMBL436639

CAPSD_9CALI

Docking Scores:
-6.96 -7.27 -7.70
Similarity Score:
N/A
Best Match:
N/A

CAPSD_9ENTO

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

CAPSD_DEN2P

Docking Scores:
-5.77
Similarity Score:
N/A
Best Match:
N/A

CAPSD_HCV77

Docking Scores:
-4.39
Similarity Score:
33.85%
Best Match:
CHEMBL3696819

CAPSD_HED68

Docking Scores:
-7.46 -8.47
Similarity Score:
N/A
Best Match:
N/A

CAPSD_ZIKV

Docking Scores:
-5.08 -4.88
Similarity Score:
N/A
Best Match:
N/A

DPM_HHV1K

Docking Scores:
-6.97
Similarity Score:
22.85%
Best Match:
CHEMBL479371

E1_9HEPC

Docking Scores:
-5.33
Similarity Score:
N/A
Best Match:
N/A

E1_HCV77

Docking Scores:
-3.39
Similarity Score:
33.85%
Best Match:
CHEMBL3696819

E1_HCVJ1

Docking Scores:
-4.78
Similarity Score:
N/A
Best Match:
N/A

E2_9HEPC

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

E2_HCV77

Docking Scores:
-5.82
Similarity Score:
33.85%
Best Match:
CHEMBL3696819

ENV_9FLAV

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

ENV_DEN1B

Docking Scores:
-5.74
Similarity Score:
N/A
Best Match:
N/A

ENV_DEN2P

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

ENV_DEN3P

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

ENV_HHV2H

Docking Scores:
-5.88
Similarity Score:
N/A
Best Match:
N/A

ENV_ZIKV

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

ENV_ZIKVK

Docking Scores:
-6.09
Similarity Score:
N/A
Best Match:
N/A

G1_ADNV

Docking Scores:
-3.83 -6.34 -5.97
Similarity Score:
N/A
Best Match:
N/A

G2_ADNV

Docking Scores:
-8.09 -8.04 -6.87
Similarity Score:
N/A
Best Match:
N/A

GB_HHV11

Docking Scores:
-6.97
Similarity Score:
N/A
Best Match:
N/A

GB_HHV1K

Docking Scores:
-7.59 -7.97
Similarity Score:
N/A
Best Match:
N/A

GD_9ALPH

Docking Scores:
-6.75 -6.04
Similarity Score:
N/A
Best Match:
N/A

GD_HHV1

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

GP160_HIV1

Docking Scores:
-6.52 -6.32 -6.23
Similarity Score:
N/A
Best Match:
N/A

GP160_HIV2

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

GP_EBOV

Docking Scores:
-6.30 -6.04 -5.84
Similarity Score:
26.09%
Best Match:
CHEMBL3125895

GP_LASSJ

Docking Scores:
-6.43 -6.39
Similarity Score:
N/A
Best Match:
N/A

HA_A-H10N7

Docking Scores:
-6.52
Similarity Score:
N/A
Best Match:
N/A

HA_A-H10N8

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

HA_A-H13N6

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

HA_A-H14N6

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

HA_A-H15N9

Docking Scores:
-6.59
Similarity Score:
N/A
Best Match:
N/A

HA_A-H17N10

Docking Scores:
-6.32
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:
-5.82 -5.95
Similarity Score:
N/A
Best Match:
N/A

HA_A-H2N2

Docking Scores:
-5.88 -5.92
Similarity Score:
N/A
Best Match:
N/A

HA_A-H3N2

Docking Scores:
-6.66 -6.32 -5.84
Similarity Score:
N/A
Best Match:
N/A

HA_A-H3N8

Docking Scores:
-5.98 -6.88 -6.59
Similarity Score:
N/A
Best Match:
N/A

HA_A-H5N1

Docking Scores:
-6.08 -6.22 -6.28
Similarity Score:
N/A
Best Match:
N/A

HA_A-H5N3

Docking Scores:
-6.21 -5.95
Similarity Score:
N/A
Best Match:
N/A

HA_A-H6N1

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

HA_A-H6N6

Docking Scores:
-5.70
Similarity Score:
N/A
Best Match:
N/A

HA_A-H7N2

Docking Scores:
-6.06 -6.19 -5.93
Similarity Score:
N/A
Best Match:
N/A

HA_A-H7N7

Docking Scores:
-6.47 -6.37
Similarity Score:
N/A
Best Match:
N/A

HA_A-H7N9

Docking Scores:
-5.92
Similarity Score:
N/A
Best Match:
N/A

HA_INFB

Docking Scores:
-6.47 -5.85
Similarity Score:
N/A
Best Match:
N/A

HA_INFD

Docking Scores:
-5.65
Similarity Score:
N/A
Best Match:
N/A

HE_BCV

Docking Scores:
-6.33 -5.75
Similarity Score:
N/A
Best Match:
N/A

HE_HCoV-OC43

Docking Scores:
-6.42
Similarity Score:
N/A
Best Match:
N/A

HE_MHV

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

IN_HIV1

Docking Scores:
-5.10 -4.67
Similarity Score:
N/A
Best Match:
N/A

MD_HKU4

Docking Scores:
-8.16 -8.21 -7.91
Similarity Score:
N/A
Best Match:
N/A

MD_MERs

Docking Scores:
-8.32 -8.07
Similarity Score:
N/A
Best Match:
N/A

MEM_9FLAV

Docking Scores:
-5.45
Similarity Score:
N/A
Best Match:
N/A

MTASE_SARS2

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

MTASE_SARS2

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

MX2_A-H5N1

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

MX_9MONO

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

MX_LASSJ

Docking Scores:
-5.90
Similarity Score:
N/A
Best Match:
N/A

NA_A-H11N6

Docking Scores:
-8.60 -8.14 -7.71
Similarity Score:
N/A
Best Match:
N/A

NA_A-H11N9

Docking Scores:
-6.27 -8.08 -8.12
Similarity Score:
N/A
Best Match:
N/A

NA_A-H12N5

Docking Scores:
-8.37 -8.89 -8.36
Similarity Score:
N/A
Best Match:
N/A

NA_A-H13N9

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

NA_A-H17N10

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

NA_A-H18N11

Docking Scores:
-6.33
Similarity Score:
N/A
Best Match:
N/A

NA_A-H1N1

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

NA_A-H2N2

Docking Scores:
-8.25 -8.14 -7.73
Similarity Score:
N/A
Best Match:
N/A

NA_A-H3N2

Docking Scores:
-6.93 -6.18
Similarity Score:
N/A
Best Match:
N/A

NA_A-H3N8

Docking Scores:
-8.15 -8.46 -8.22
Similarity Score:
17.22%
Best Match:
CHEMBL4285767

NA_A-H5N1

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

NA_A-H7N9

Docking Scores:
-7.52 -7.94 -8.06
Similarity Score:
N/A
Best Match:
N/A

NA_INFB

Docking Scores:
-8.34 -7.58
Similarity Score:
22.34%
Best Match:
CHEMBL362993

NP_9ADNV

Docking Scores:
-4.41 -6.67
Similarity Score:
N/A
Best Match:
N/A

NP_A-H1N1

Docking Scores:
-5.36 -6.21 -6.04
Similarity Score:
N/A
Best Match:
N/A

NP_A-H5N1

Docking Scores:
-5.89
Similarity Score:
N/A
Best Match:
N/A

NP_EBOZM

Docking Scores:
-5.61 -6.03 -5.97
Similarity Score:
N/A
Best Match:
N/A

NP_HCoV-NL63

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

NP_HCoV-OC43

Docking Scores:
-6.66 -6.33 -6.14
Similarity Score:
11.60%
Best Match:
CHEMBL3233481

NP_INFB

Docking Scores:
-4.94
Similarity Score:
N/A
Best Match:
N/A

NP_INFD

Docking Scores:
-4.56
Similarity Score:
N/A
Best Match:
N/A

NP_LASSJ

Docking Scores:
-9.67 -8.96 -5.28
Similarity Score:
N/A
Best Match:
N/A

NP_SARS

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

NS1_9CALI

Docking Scores:
-4.65 -5.74 -5.41
Similarity Score:
N/A
Best Match:
N/A

NS1_9FLAV

Docking Scores:
-5.60
Similarity Score:
N/A
Best Match:
N/A

NS1_DEN1W

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

NS1_ZIKV

Docking Scores:
-4.57 -7.48 -6.22
Similarity Score:
N/A
Best Match:
N/A

NS2A_9FLAV

Docking Scores:
-3.66
Similarity Score:
N/A
Best Match:
N/A

NS2B_DEN1W

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

NS2B_DEN2P

Docking Scores:
-6.32 -7.34
Similarity Score:
N/A
Best Match:
N/A

NS2B_ZIKV

Docking Scores:
-7.13 -7.20
Similarity Score:
N/A
Best Match:
N/A

NS2B_ZIKVF

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

NS3_9FLAV

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

NS3_DEN4T

Docking Scores:
-8.54 -7.77
Similarity Score:
N/A
Best Match:
N/A

NS3_HCV1A

Docking Scores:
-6.32 -5.81 -6.35
Similarity Score:
33.85%
Best Match:
CHEMBL3696819

NS3_HCV1B

Docking Scores:
-7.99 -6.41 -5.51
Similarity Score:
24.74%
Best Match:
CHEMBL297884

NS3_HCV3A

Docking Scores:
-6.21 -6.94 -6.35
Similarity Score:
N/A
Best Match:
N/A

NS3_ZIKV

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

NS5B_HCV1A

Docking Scores:
-6.89 -7.61 -7.67
Similarity Score:
27.56%
Best Match:
CHEMBL353549

NS5B_HCV1B

Docking Scores:
-6.92 -7.18 -6.50
Similarity Score:
92.24%
Best Match:
CHEMBL4111989

NS5B_HCV2A

Docking Scores:
-8.42 -7.76
Similarity Score:
21.66%
Best Match:
CHEMBL3127326

NS5_9FLAV

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

NS5_DEN3S

Docking Scores:
-6.93 -6.90
Similarity Score:
N/A
Best Match:
N/A

NS5_ZIKV

Docking Scores:
-8.47 -5.42
Similarity Score:
N/A
Best Match:
N/A

NS5_ZIKVF

Docking Scores:
-8.38
Similarity Score:
N/A
Best Match:
N/A

NS6_9CALI

Docking Scores:
-5.08 -4.97 -5.77
Similarity Score:
N/A
Best Match:
N/A

NSP15_SARS

Docking Scores:
-6.11
Similarity Score:
20.15%
Best Match:
CHEMBL2441741

NSP15_SARS2

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

NSP1_INFB

Docking Scores:
-5.41 -5.52
Similarity Score:
N/A
Best Match:
N/A

NSP1_SARS

Docking Scores:
-6.02
Similarity Score:
20.15%
Best Match:
CHEMBL2441741

NSP3_HCoV-229E

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

NSP3_IBV

Docking Scores:
-8.82
Similarity Score:
N/A
Best Match:
N/A

NSP3_MHV

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

NSP3_SARS2

Docking Scores:
-7.12
Similarity Score:
N/A
Best Match:
N/A

NSP9_HCoV-229E

Docking Scores:
-5.06 -6.23
Similarity Score:
N/A
Best Match:
N/A

PA_A-H17N10

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

PA_A-H1N1

Docking Scores:
-6.87 -7.99 -7.55
Similarity Score:
N/A
Best Match:
N/A

PA_A-H5N1

Docking Scores:
-7.90 -7.94 -7.88
Similarity Score:
N/A
Best Match:
N/A

PA_INFA

Docking Scores:
-6.59 -6.90 -8.01
Similarity Score:
28.00%
Best Match:
CHEMBL4473580

PA_INFB

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

PB2_A-H3N2

Docking Scores:
-7.27 -7.02
Similarity Score:
N/A
Best Match:
N/A

PB2_A-H5N1

Docking Scores:
-7.27 -6.54 -6.69
Similarity Score:
N/A
Best Match:
N/A

PB2_INFB

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

PB3_A-H3N2

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

PB4_A-H3N2

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

PLP_SARS

Docking Scores:
-7.44 -8.44 -8.10
Similarity Score:
22.10%
Best Match:
CHEMBL225515

PLP_SARS2

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

PM_9VIRU

Docking Scores:
-7.58 -7.01
Similarity Score:
N/A
Best Match:
N/A

PR_FCoV

Docking Scores:
-7.30
Similarity Score:
19.38%
Best Match:
CHEMBL4214471

PR_HCoV-229E

Docking Scores:
-6.88 -6.47
Similarity Score:
N/A
Best Match:
N/A

PR_HCoV-NL63

Docking Scores:
-4.80 -6.84
Similarity Score:
N/A
Best Match:
N/A

PR_HIV1

Docking Scores:
-6.30 -6.47 -5.91
Similarity Score:
24.48%
Best Match:
CHEMBL510485

PR_HIV2

Docking Scores:
-6.69 -6.17
Similarity Score:
N/A
Best Match:
N/A

PR_HKU1

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

PR_HKU4

Docking Scores:
-6.55 -6.43 -6.10
Similarity Score:
N/A
Best Match:
N/A

PR_IBV

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

PR_MERs

Docking Scores:
-6.42 -7.14
Similarity Score:
N/A
Best Match:
N/A

PR_PEDV

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

PR_SARS

Docking Scores:
-6.27 -6.99 -7.41
Similarity Score:
20.15%
Best Match:
CHEMBL2441741

PR_SARS2

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

PR_TGEV

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

P_9CALI

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

P_NVN68

Docking Scores:
-5.09
Similarity Score:
N/A
Best Match:
N/A

RDRP_SARS2

Docking Scores:
-7.46
Similarity Score:
72.63%
Best Match:
CHEMBL4065616

RT_HIV1

Docking Scores:
-8.12 -7.94 -7.31
Similarity Score:
29.53%
Best Match:
CHEMBL4110544

SPIKE_HCoV-229E

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

SPIKE_HCoV-NL63

Docking Scores:
-4.77
Similarity Score:
N/A
Best Match:
N/A

SPIKE_HCoV-OC43

Docking Scores:
-6.41
Similarity Score:
N/A
Best Match:
N/A

SPIKE_HKU4

Docking Scores:
-6.78
Similarity Score:
N/A
Best Match:
N/A

SPIKE_IBV

Docking Scores:
-5.38
Similarity Score:
N/A
Best Match:
N/A

SPIKE_MERs

Docking Scores:
-6.60 -6.43 -4.97
Similarity Score:
N/A
Best Match:
N/A

SPIKE_MHV

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

SPIKE_PDCoV

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

SPIKE_SARS

Docking Scores:
-6.62 -6.27
Similarity Score:
N/A
Best Match:
N/A

SPIKE_SARS2

Docking Scores:
-5.44 -5.63 -5.31
Similarity Score:
N/A
Best Match:
N/A

VP1_9CALI

Docking Scores:
-7.89
Similarity Score:
N/A
Best Match:
N/A

VP1_NVN68

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

VP24_EBORE

Docking Scores:
-4.82
Similarity Score:
N/A
Best Match:
N/A

VP24_EBOSU

Docking Scores:
-5.82
Similarity Score:
N/A
Best Match:
N/A

VP24_EBOZM

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

VP30_9MONO

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

VP30_EBOZ5

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

VP30_EBOZM

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

VP35_EBORR

Docking Scores:
-5.77
Similarity Score:
N/A
Best Match:
N/A

VP35_EBOZM

Docking Scores:
-5.86 -5.52 -5.87
Similarity Score:
N/A
Best Match:
N/A

VP40_EBOZM

Docking Scores:
-5.23 -4.79
Similarity Score:
N/A
Best Match:
N/A