PSP- case study #502 Output - VIRUS-CKB

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PSP- case study #502 Output Download CSV

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Gene Protein

The docking scores are in the AutoDock Vina metric.

2A_HE71

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

2A_HE71M

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

2C_HE71

Docking Scores:
-5.30 -6.54
Similarity Score:
N/A
Best Match:
N/A

3A_9ENTO

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

3A_HE71M

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

3A_HED68

Docking Scores:
-5.30
Similarity Score:
N/A
Best Match:
N/A

3C_HE71

Docking Scores:
-5.70 -7.11
Similarity Score:
N/A
Best Match:
N/A

3C_HED68

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

3D_HE71

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

3D_HED68

Docking Scores:
-7.95
Similarity Score:
N/A
Best Match:
N/A

ACE2_HUMAN

Docking Scores:
-10.03
Similarity Score:
27.45%
Best Match:
CHEMBL436639

CAPSD_9CALI

Docking Scores:
-7.69 -7.16 -8.30
Similarity Score:
N/A
Best Match:
N/A

CAPSD_9ENTO

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

CAPSD_DEN2P

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

CAPSD_HCV77

Docking Scores:
-5.24
Similarity Score:
50.17%
Best Match:
CHEMBL3696815

CAPSD_HED68

Docking Scores:
-8.94 -9.98
Similarity Score:
N/A
Best Match:
N/A

CAPSD_ZIKV

Docking Scores:
-6.39 -6.55
Similarity Score:
N/A
Best Match:
N/A

DPM_HHV1K

Docking Scores:
-9.08
Similarity Score:
22.85%
Best Match:
CHEMBL479371

E1_9HEPC

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

E1_HCV77

Docking Scores:
-4.01
Similarity Score:
50.17%
Best Match:
CHEMBL3696815

E1_HCVJ1

Docking Scores:
-4.01
Similarity Score:
N/A
Best Match:
N/A

E2_9HEPC

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

E2_HCV77

Docking Scores:
-6.11
Similarity Score:
50.17%
Best Match:
CHEMBL3696815

ENV_9FLAV

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

ENV_DEN1B

Docking Scores:
-4.99
Similarity Score:
N/A
Best Match:
N/A

ENV_DEN2P

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

ENV_DEN3P

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

ENV_HHV2H

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

ENV_ZIKV

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

ENV_ZIKVK

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

G1_ADNV

Docking Scores:
-3.51 -6.28 -6.09
Similarity Score:
N/A
Best Match:
N/A

G2_ADNV

Docking Scores:
-8.15 -8.04 -6.86
Similarity Score:
N/A
Best Match:
N/A

GB_HHV11

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

GB_HHV1K

Docking Scores:
-6.80 -6.73
Similarity Score:
N/A
Best Match:
N/A

GD_9ALPH

Docking Scores:
-7.13 -6.74
Similarity Score:
N/A
Best Match:
N/A

GD_HHV1

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

GP160_HIV1

Docking Scores:
-7.91 -7.78 -7.56
Similarity Score:
N/A
Best Match:
N/A

GP160_HIV2

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

GP_EBOV

Docking Scores:
-7.51 -6.70 -7.79
Similarity Score:
26.79%
Best Match:
CHEMBL3125895

GP_LASSJ

Docking Scores:
-5.35 -6.05
Similarity Score:
N/A
Best Match:
N/A

HA_A-H10N7

Docking Scores:
-6.85
Similarity Score:
N/A
Best Match:
N/A

HA_A-H10N8

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

HA_A-H13N6

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

HA_A-H14N6

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

HA_A-H15N9

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

HA_A-H17N10

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

HA_A-H18N11

Docking Scores:
-5.69
Similarity Score:
N/A
Best Match:
N/A

HA_A-H1N1

Docking Scores:
-6.64 -6.40
Similarity Score:
N/A
Best Match:
N/A

HA_A-H2N2

Docking Scores:
-5.69 -6.44
Similarity Score:
N/A
Best Match:
N/A

HA_A-H3N2

Docking Scores:
-6.98 -6.70 -6.46
Similarity Score:
N/A
Best Match:
N/A

HA_A-H3N8

Docking Scores:
-5.79 -6.25 -6.71
Similarity Score:
N/A
Best Match:
N/A

HA_A-H5N1

Docking Scores:
-5.58 -6.41 -6.68
Similarity Score:
N/A
Best Match:
N/A

HA_A-H5N3

Docking Scores:
-6.39 -6.74
Similarity Score:
N/A
Best Match:
N/A

HA_A-H6N1

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

HA_A-H6N6

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

HA_A-H7N2

Docking Scores:
-6.76 -6.34 -6.87
Similarity Score:
N/A
Best Match:
N/A

HA_A-H7N7

Docking Scores:
-6.80 -6.93
Similarity Score:
N/A
Best Match:
N/A

HA_A-H7N9

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

HA_INFB

Docking Scores:
-7.04 -6.86
Similarity Score:
N/A
Best Match:
N/A

HA_INFD

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

HE_BCV

Docking Scores:
-6.34 -6.55
Similarity Score:
N/A
Best Match:
N/A

HE_HCoV-OC43

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

HE_MHV

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

IN_HIV1

Docking Scores:
-5.41 -5.91
Similarity Score:
N/A
Best Match:
N/A

MD_HKU4

Docking Scores:
-8.08 -7.19 -8.57
Similarity Score:
N/A
Best Match:
N/A

MD_MERs

Docking Scores:
-8.38 -8.26
Similarity Score:
N/A
Best Match:
N/A

MEM_9FLAV

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

MTASE_SARS2

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

MTASE_SARS2

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

MX2_A-H5N1

Docking Scores:
-3.84
Similarity Score:
N/A
Best Match:
N/A

MX_9MONO

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

MX_LASSJ

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

NA_A-H11N6

Docking Scores:
-7.49 -8.19 -7.94
Similarity Score:
N/A
Best Match:
N/A

NA_A-H11N9

Docking Scores:
-7.31 -8.26 -8.42
Similarity Score:
N/A
Best Match:
N/A

NA_A-H12N5

Docking Scores:
-7.58 -8.64 -7.42
Similarity Score:
N/A
Best Match:
N/A

NA_A-H13N9

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

NA_A-H17N10

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

NA_A-H18N11

Docking Scores:
-6.91
Similarity Score:
N/A
Best Match:
N/A

NA_A-H1N1

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

NA_A-H2N2

Docking Scores:
-7.81 -7.93 -7.90
Similarity Score:
N/A
Best Match:
N/A

NA_A-H3N2

Docking Scores:
-7.59 -7.50
Similarity Score:
N/A
Best Match:
N/A

NA_A-H3N8

Docking Scores:
-8.37 -8.35 -8.09
Similarity Score:
19.35%
Best Match:
CHEMBL4278505

NA_A-H5N1

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

NA_A-H7N9

Docking Scores:
-7.93 -8.03 -8.36
Similarity Score:
N/A
Best Match:
N/A

NA_INFB

Docking Scores:
-7.83 -8.09
Similarity Score:
21.22%
Best Match:
CHEMBL362993

NP_9ADNV

Docking Scores:
-5.52 -7.87
Similarity Score:
N/A
Best Match:
N/A

NP_A-H1N1

Docking Scores:
-5.82 -6.71 -6.08
Similarity Score:
N/A
Best Match:
N/A

NP_A-H5N1

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

NP_EBOZM

Docking Scores:
-6.25 -6.89 -6.23
Similarity Score:
N/A
Best Match:
N/A

NP_HCoV-NL63

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

NP_HCoV-OC43

Docking Scores:
-7.69 -6.79 -6.85
Similarity Score:
11.03%
Best Match:
CHEMBL3233481

NP_INFB

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

NP_INFD

Docking Scores:
-5.47
Similarity Score:
N/A
Best Match:
N/A

NP_LASSJ

Docking Scores:
-9.85 -10.13 -4.38
Similarity Score:
N/A
Best Match:
N/A

NP_SARS

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

NS1_9CALI

Docking Scores:
-5.43 -4.59 -5.48
Similarity Score:
N/A
Best Match:
N/A

NS1_9FLAV

Docking Scores:
-5.48
Similarity Score:
N/A
Best Match:
N/A

NS1_DEN1W

Docking Scores:
-5.48
Similarity Score:
N/A
Best Match:
N/A

NS1_ZIKV

Docking Scores:
8.26 -6.40 -6.92
Similarity Score:
N/A
Best Match:
N/A

NS2A_9FLAV

Docking Scores:
-4.86
Similarity Score:
N/A
Best Match:
N/A

NS2B_DEN1W

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

NS2B_DEN2P

Docking Scores:
-6.59 -7.24
Similarity Score:
N/A
Best Match:
N/A

NS2B_ZIKV

Docking Scores:
-7.01 -7.02
Similarity Score:
N/A
Best Match:
N/A

NS2B_ZIKVF

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

NS3_9FLAV

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

NS3_DEN4T

Docking Scores:
-8.68 -8.24
Similarity Score:
N/A
Best Match:
N/A

NS3_HCV1A

Docking Scores:
-6.82 -6.14 -6.30
Similarity Score:
50.17%
Best Match:
CHEMBL3696815

NS3_HCV1B

Docking Scores:
-6.62 -6.24 -5.28
Similarity Score:
23.98%
Best Match:
CHEMBL297884

NS3_HCV3A

Docking Scores:
-7.47 -7.27 -7.46
Similarity Score:
N/A
Best Match:
N/A

NS3_ZIKV

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

NS5B_HCV1A

Docking Scores:
-7.87 -8.75 -8.86
Similarity Score:
26.36%
Best Match:
CHEMBL353549

NS5B_HCV1B

Docking Scores:
-8.12 -8.03 -7.90
Similarity Score:
67.51%
Best Match:
CHEMBL4111989

NS5B_HCV2A

Docking Scores:
-9.92 -8.77
Similarity Score:
20.97%
Best Match:
CHEMBL4203791

NS5_9FLAV

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

NS5_DEN3S

Docking Scores:
-8.13 -8.53
Similarity Score:
N/A
Best Match:
N/A

NS5_ZIKV

Docking Scores:
-8.63 -5.71
Similarity Score:
N/A
Best Match:
N/A

NS5_ZIKVF

Docking Scores:
-8.10
Similarity Score:
N/A
Best Match:
N/A

NS6_9CALI

Docking Scores:
-4.74 -6.05 -6.50
Similarity Score:
N/A
Best Match:
N/A

NSP15_SARS

Docking Scores:
-6.95
Similarity Score:
18.75%
Best Match:
CHEMBL2441745

NSP15_SARS2

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

NSP1_INFB

Docking Scores:
-6.23 -5.74
Similarity Score:
N/A
Best Match:
N/A

NSP1_SARS

Docking Scores:
-6.20
Similarity Score:
18.75%
Best Match:
CHEMBL2441745

NSP3_HCoV-229E

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

NSP3_IBV

Docking Scores:
-7.67
Similarity Score:
N/A
Best Match:
N/A

NSP3_MHV

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

NSP3_SARS2

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

NSP9_HCoV-229E

Docking Scores:
-6.27 -6.75
Similarity Score:
N/A
Best Match:
N/A

PA_A-H17N10

Docking Scores:
-7.53
Similarity Score:
N/A
Best Match:
N/A

PA_A-H1N1

Docking Scores:
-8.69 -7.82 -7.82
Similarity Score:
N/A
Best Match:
N/A

PA_A-H5N1

Docking Scores:
-8.76 -8.68 -8.58
Similarity Score:
N/A
Best Match:
N/A

PA_INFA

Docking Scores:
-8.30 -8.30 -7.79
Similarity Score:
25.75%
Best Match:
CHEMBL4473580

PA_INFB

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

PB2_A-H3N2

Docking Scores:
-8.14 -7.25
Similarity Score:
N/A
Best Match:
N/A

PB2_A-H5N1

Docking Scores:
-6.86 -7.14 -7.58
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:
-7.40
Similarity Score:
N/A
Best Match:
N/A

PB4_A-H3N2

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

PLP_SARS

Docking Scores:
-9.34 -9.32 -9.07
Similarity Score:
21.38%
Best Match:
CHEMBL225515

PLP_SARS2

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

PM_9VIRU

Docking Scores:
-7.63 -8.19
Similarity Score:
N/A
Best Match:
N/A

PR_FCoV

Docking Scores:
-7.51
Similarity Score:
18.65%
Best Match:
CHEMBL4214471

PR_HCoV-229E

Docking Scores:
-7.38 -6.56
Similarity Score:
N/A
Best Match:
N/A

PR_HCoV-NL63

Docking Scores:
-4.63 -7.74
Similarity Score:
N/A
Best Match:
N/A

PR_HIV1

Docking Scores:
-6.62 -7.13 -6.53
Similarity Score:
22.62%
Best Match:
CHEMBL3645127

PR_HIV2

Docking Scores:
-6.85 -6.45
Similarity Score:
N/A
Best Match:
N/A

PR_HKU1

Docking Scores:
-6.98
Similarity Score:
N/A
Best Match:
N/A

PR_HKU4

Docking Scores:
-6.74 -6.94 -7.02
Similarity Score:
N/A
Best Match:
N/A

PR_IBV

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

PR_MERs

Docking Scores:
-7.37 -7.91
Similarity Score:
N/A
Best Match:
N/A

PR_PEDV

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

PR_SARS

Docking Scores:
-7.19 -7.01 -7.28
Similarity Score:
18.75%
Best Match:
CHEMBL2441745

PR_SARS2

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

PR_TGEV

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

P_9CALI

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

P_NVN68

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

RDRP_SARS2

Docking Scores:
-6.24
Similarity Score:
100.00%
Best Match:
CHEMBL4065616

RT_HIV1

Docking Scores:
-8.97 -9.30 -8.71
Similarity Score:
28.68%
Best Match:
CHEMBL4108778

SPIKE_HCoV-229E

Docking Scores:
-5.35
Similarity Score:
N/A
Best Match:
N/A

SPIKE_HCoV-NL63

Docking Scores:
-4.96
Similarity Score:
N/A
Best Match:
N/A

SPIKE_HCoV-OC43

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

SPIKE_HKU4

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

SPIKE_IBV

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

SPIKE_MERs

Docking Scores:
-6.32 -6.33 -5.95
Similarity Score:
N/A
Best Match:
N/A

SPIKE_MHV

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

SPIKE_PDCoV

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

SPIKE_SARS

Docking Scores:
-5.99 -6.82
Similarity Score:
N/A
Best Match:
N/A

SPIKE_SARS2

Docking Scores:
-5.03 -5.84 -6.23
Similarity Score:
N/A
Best Match:
N/A

VP1_9CALI

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

VP1_NVN68

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

VP24_EBORE

Docking Scores:
-5.30
Similarity Score:
N/A
Best Match:
N/A

VP24_EBOSU

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

VP24_EBOZM

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

VP30_9MONO

Docking Scores:
-5.94
Similarity Score:
N/A
Best Match:
N/A

VP30_EBOZ5

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

VP30_EBOZM

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

VP35_EBORR

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

VP35_EBOZM

Docking Scores:
-6.30 -6.75 -6.74
Similarity Score:
N/A
Best Match:
N/A

VP40_EBOZM

Docking Scores:
-6.44 -5.74
Similarity Score:
N/A
Best Match:
N/A