JANZ-erastin #390 Output - VIRUS-CKB

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JANZ-erastin #390 Output Download CSV

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Gene Protein

The docking scores are in the AutoDock Vina metric.

2A_HE71

Docking Scores:
-9.16
Similarity Score:
N/A
Best Match:
N/A

2A_HE71M

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

2C_HE71

Docking Scores:
-6.16 -7.30
Similarity Score:
N/A
Best Match:
N/A

3A_9ENTO

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

3A_HE71M

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

3A_HED68

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

3C_HE71

Docking Scores:
-7.37 -7.15
Similarity Score:
N/A
Best Match:
N/A

3C_HED68

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

3D_HE71

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

3D_HED68

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

ACE2_HUMAN

Docking Scores:
-11.05
Similarity Score:
30.34%
Best Match:
CHEMBL1240682

CAPSD_9CALI

Docking Scores:
-8.36 -7.87 -8.49
Similarity Score:
N/A
Best Match:
N/A

CAPSD_9ENTO

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

CAPSD_DEN2P

Docking Scores:
-7.44
Similarity Score:
N/A
Best Match:
N/A

CAPSD_HCV77

Docking Scores:
-5.67
Similarity Score:
37.02%
Best Match:
CHEMBL4106916

CAPSD_HED68

Docking Scores:
-10.11 -9.53
Similarity Score:
N/A
Best Match:
N/A

CAPSD_ZIKV

Docking Scores:
-7.22 -7.43
Similarity Score:
N/A
Best Match:
N/A

DPM_HHV1K

Docking Scores:
-8.30
Similarity Score:
25.66%
Best Match:
CHEMBL479371

E1_9HEPC

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

E1_HCV77

Docking Scores:
-4.57
Similarity Score:
37.02%
Best Match:
CHEMBL4106916

E1_HCVJ1

Docking Scores:
-5.00
Similarity Score:
N/A
Best Match:
N/A

E2_9HEPC

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

E2_HCV77

Docking Scores:
-6.42
Similarity Score:
37.02%
Best Match:
CHEMBL4106916

ENV_9FLAV

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

ENV_DEN1B

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

ENV_DEN2P

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

ENV_DEN3P

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

ENV_HHV2H

Docking Scores:
-8.44
Similarity Score:
N/A
Best Match:
N/A

ENV_ZIKV

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

ENV_ZIKVK

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

G1_ADNV

Docking Scores:
-4.23 -7.44 -7.61
Similarity Score:
N/A
Best Match:
N/A

G2_ADNV

Docking Scores:
-8.66 -8.20 -7.45
Similarity Score:
N/A
Best Match:
N/A

GB_HHV11

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

GB_HHV1K

Docking Scores:
-8.50 -8.12
Similarity Score:
N/A
Best Match:
N/A

GD_9ALPH

Docking Scores:
-8.23 -5.47
Similarity Score:
N/A
Best Match:
N/A

GD_HHV1

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

GP160_HIV1

Docking Scores:
-7.55 -8.35 -7.46
Similarity Score:
N/A
Best Match:
N/A

GP160_HIV2

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

GP_EBOV

Docking Scores:
-8.29 -8.71 -7.79
Similarity Score:
28.44%
Best Match:
CHEMBL4640931

GP_LASSJ

Docking Scores:
-6.77 -6.73
Similarity Score:
N/A
Best Match:
N/A

HA_A-H10N7

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

HA_A-H10N8

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

HA_A-H13N6

Docking Scores:
-7.09
Similarity Score:
N/A
Best Match:
N/A

HA_A-H14N6

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

HA_A-H15N9

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

HA_A-H17N10

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

HA_A-H18N11

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

HA_A-H1N1

Docking Scores:
-7.17 -7.51
Similarity Score:
N/A
Best Match:
N/A

HA_A-H2N2

Docking Scores:
-6.79 -7.30
Similarity Score:
N/A
Best Match:
N/A

HA_A-H3N2

Docking Scores:
-6.95 -6.57 -6.76
Similarity Score:
N/A
Best Match:
N/A

HA_A-H3N8

Docking Scores:
-6.47 -6.86 -7.02
Similarity Score:
N/A
Best Match:
N/A

HA_A-H5N1

Docking Scores:
-7.06 -6.76 -6.96
Similarity Score:
N/A
Best Match:
N/A

HA_A-H5N3

Docking Scores:
-7.32 -6.73
Similarity Score:
N/A
Best Match:
N/A

HA_A-H6N1

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

HA_A-H6N6

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

HA_A-H7N2

Docking Scores:
-6.87 -6.49 -6.57
Similarity Score:
N/A
Best Match:
N/A

HA_A-H7N7

Docking Scores:
-7.61 -7.28
Similarity Score:
N/A
Best Match:
N/A

HA_A-H7N9

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

HA_INFB

Docking Scores:
-7.53 -6.90
Similarity Score:
N/A
Best Match:
N/A

HA_INFD

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

HE_BCV

Docking Scores:
-6.87 -6.85
Similarity Score:
N/A
Best Match:
N/A

HE_HCoV-OC43

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

HE_MHV

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

IN_HIV1

Docking Scores:
-6.53 -6.51
Similarity Score:
N/A
Best Match:
N/A

MD_HKU4

Docking Scores:
-10.46 -10.91 -11.12
Similarity Score:
N/A
Best Match:
N/A

MD_MERs

Docking Scores:
-8.72 -11.34
Similarity Score:
N/A
Best Match:
N/A

MEM_9FLAV

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

MTASE_SARS2

Docking Scores:
-7.44
Similarity Score:
N/A
Best Match:
N/A

MTASE_SARS2

Docking Scores:
-8.43
Similarity Score:
N/A
Best Match:
N/A

MX2_A-H5N1

Docking Scores:
0.65
Similarity Score:
N/A
Best Match:
N/A

MX_9MONO

Docking Scores:
-9.94
Similarity Score:
N/A
Best Match:
N/A

MX_LASSJ

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

NA_A-H11N6

Docking Scores:
-8.32 -8.36 -8.45
Similarity Score:
N/A
Best Match:
N/A

NA_A-H11N9

Docking Scores:
-6.87 -8.88 -8.75
Similarity Score:
N/A
Best Match:
N/A

NA_A-H12N5

Docking Scores:
-8.92 -8.32 -8.48
Similarity Score:
N/A
Best Match:
N/A

NA_A-H13N9

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

NA_A-H17N10

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

NA_A-H18N11

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

NA_A-H1N1

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

NA_A-H2N2

Docking Scores:
-8.81 -9.39 -9.08
Similarity Score:
N/A
Best Match:
N/A

NA_A-H3N2

Docking Scores:
-8.58 -7.57
Similarity Score:
N/A
Best Match:
N/A

NA_A-H3N8

Docking Scores:
-8.04 -9.45 -8.03
Similarity Score:
22.39%
Best Match:
CHEMBL4282553

NA_A-H5N1

Docking Scores:
-9.18
Similarity Score:
N/A
Best Match:
N/A

NA_A-H7N9

Docking Scores:
-8.99 -8.68 -8.74
Similarity Score:
N/A
Best Match:
N/A

NA_INFB

Docking Scores:
-7.28 -8.03
Similarity Score:
24.34%
Best Match:
CHEMBL4175983

NP_9ADNV

Docking Scores:
-5.52 -8.64
Similarity Score:
N/A
Best Match:
N/A

NP_A-H1N1

Docking Scores:
-6.82 -6.51 -6.77
Similarity Score:
N/A
Best Match:
N/A

NP_A-H5N1

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

NP_EBOZM

Docking Scores:
-7.37 -7.12 -7.94
Similarity Score:
N/A
Best Match:
N/A

NP_HCoV-NL63

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

NP_HCoV-OC43

Docking Scores:
-8.57 -7.71 -7.37
Similarity Score:
18.75%
Best Match:
CHEMBL3233481

NP_INFB

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

NP_INFD

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

NP_LASSJ

Docking Scores:
-10.14 -10.48 -5.27
Similarity Score:
N/A
Best Match:
N/A

NP_SARS

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

NS1_9CALI

Docking Scores:
-6.38 -5.91 -7.65
Similarity Score:
N/A
Best Match:
N/A

NS1_9FLAV

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

NS1_DEN1W

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

NS1_ZIKV

Docking Scores:
13.63 -6.76 -8.98
Similarity Score:
N/A
Best Match:
N/A

NS2A_9FLAV

Docking Scores:
-4.72
Similarity Score:
N/A
Best Match:
N/A

NS2B_DEN1W

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

NS2B_DEN2P

Docking Scores:
-7.50 -8.24
Similarity Score:
N/A
Best Match:
N/A

NS2B_ZIKV

Docking Scores:
-8.28 -7.86
Similarity Score:
N/A
Best Match:
N/A

NS2B_ZIKVF

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

NS3_9FLAV

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

NS3_DEN4T

Docking Scores:
-9.89 -8.85
Similarity Score:
N/A
Best Match:
N/A

NS3_HCV1A

Docking Scores:
-7.54 -6.71 -7.79
Similarity Score:
37.02%
Best Match:
CHEMBL4106916

NS3_HCV1B

Docking Scores:
-10.34 -8.40 -6.67
Similarity Score:
27.62%
Best Match:
CHEMBL1170417

NS3_HCV3A

Docking Scores:
-8.11 -7.65 -8.24
Similarity Score:
N/A
Best Match:
N/A

NS3_ZIKV

Docking Scores:
-9.14
Similarity Score:
N/A
Best Match:
N/A

NS5B_HCV1A

Docking Scores:
-8.55 -10.37 -10.34
Similarity Score:
30.28%
Best Match:
CHEMBL3644925

NS5B_HCV1B

Docking Scores:
-7.85 -7.60 -7.69
Similarity Score:
28.85%
Best Match:
CHEMBL3645182

NS5B_HCV2A

Docking Scores:
-9.51 -6.87
Similarity Score:
30.90%
Best Match:
CHEMBL3127326

NS5_9FLAV

Docking Scores:
-9.12
Similarity Score:
N/A
Best Match:
N/A

NS5_DEN3S

Docking Scores:
-8.28 -9.20
Similarity Score:
N/A
Best Match:
N/A

NS5_ZIKV

Docking Scores:
-8.90 -5.93
Similarity Score:
N/A
Best Match:
N/A

NS5_ZIKVF

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

NS6_9CALI

Docking Scores:
-5.40 -5.80 -7.06
Similarity Score:
N/A
Best Match:
N/A

NSP15_SARS

Docking Scores:
-7.40
Similarity Score:
24.89%
Best Match:
CHEMBL2441741

NSP15_SARS2

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

NSP1_INFB

Docking Scores:
-7.00 -7.13
Similarity Score:
N/A
Best Match:
N/A

NSP1_SARS

Docking Scores:
-5.84
Similarity Score:
24.89%
Best Match:
CHEMBL2441741

NSP3_HCoV-229E

Docking Scores:
-9.59
Similarity Score:
N/A
Best Match:
N/A

NSP3_IBV

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

NSP3_MHV

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

NSP3_SARS2

Docking Scores:
-9.41
Similarity Score:
N/A
Best Match:
N/A

NSP9_HCoV-229E

Docking Scores:
-7.78 -6.82
Similarity Score:
N/A
Best Match:
N/A

PA_A-H17N10

Docking Scores:
-9.20
Similarity Score:
N/A
Best Match:
N/A

PA_A-H1N1

Docking Scores:
-9.95 -9.56 -9.47
Similarity Score:
N/A
Best Match:
N/A

PA_A-H5N1

Docking Scores:
-9.74 -9.51 -9.53
Similarity Score:
N/A
Best Match:
N/A

PA_INFA

Docking Scores:
-9.54 -8.27 -9.20
Similarity Score:
28.72%
Best Match:
CHEMBL4593284

PA_INFB

Docking Scores:
-8.49
Similarity Score:
N/A
Best Match:
N/A

PB2_A-H3N2

Docking Scores:
-9.20 -8.56
Similarity Score:
N/A
Best Match:
N/A

PB2_A-H5N1

Docking Scores:
-7.74 -8.51 -8.49
Similarity Score:
N/A
Best Match:
N/A

PB2_INFB

Docking Scores:
-9.27
Similarity Score:
N/A
Best Match:
N/A

PB3_A-H3N2

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

PB4_A-H3N2

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

PLP_SARS

Docking Scores:
-8.59 -10.12 -10.21
Similarity Score:
30.94%
Best Match:
CHEMBL358279

PLP_SARS2

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

PM_9VIRU

Docking Scores:
-8.13 -8.90
Similarity Score:
N/A
Best Match:
N/A

PR_FCoV

Docking Scores:
-8.67
Similarity Score:
20.85%
Best Match:
CHEMBL4214471

PR_HCoV-229E

Docking Scores:
-7.61 -7.94
Similarity Score:
N/A
Best Match:
N/A

PR_HCoV-NL63

Docking Scores:
-5.51 -8.64
Similarity Score:
N/A
Best Match:
N/A

PR_HIV1

Docking Scores:
-6.70 -7.87 -6.83
Similarity Score:
21.38%
Best Match:
CHEMBL450294

PR_HIV2

Docking Scores:
-8.22 -7.44
Similarity Score:
N/A
Best Match:
N/A

PR_HKU1

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

PR_HKU4

Docking Scores:
-7.61 -6.98 -6.66
Similarity Score:
N/A
Best Match:
N/A

PR_IBV

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

PR_MERs

Docking Scores:
-7.59 -8.03
Similarity Score:
N/A
Best Match:
N/A

PR_PEDV

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

PR_SARS

Docking Scores:
-8.13 -7.24 -7.70
Similarity Score:
24.89%
Best Match:
CHEMBL2441741

PR_SARS2

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

PR_TGEV

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

P_9CALI

Docking Scores:
-6.95
Similarity Score:
N/A
Best Match:
N/A

P_NVN68

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

RDRP_SARS2

Docking Scores:
-7.72
Similarity Score:
16.67%
Best Match:
CHEMBL4065616

RT_HIV1

Docking Scores:
-8.21 -9.15 -9.36
Similarity Score:
25.82%
Best Match:
CHEMBL3915855

SPIKE_HCoV-229E

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

SPIKE_HCoV-NL63

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

SPIKE_HCoV-OC43

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

SPIKE_HKU4

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

SPIKE_IBV

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

SPIKE_MERs

Docking Scores:
-7.95 -7.31 -6.62
Similarity Score:
N/A
Best Match:
N/A

SPIKE_MHV

Docking Scores:
-7.61
Similarity Score:
N/A
Best Match:
N/A

SPIKE_PDCoV

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

SPIKE_SARS

Docking Scores:
-6.88 -7.10
Similarity Score:
N/A
Best Match:
N/A

SPIKE_SARS2

Docking Scores:
-6.08 -6.61 -7.55
Similarity Score:
N/A
Best Match:
N/A

VP1_9CALI

Docking Scores:
-8.88
Similarity Score:
N/A
Best Match:
N/A

VP1_NVN68

Docking Scores:
-6.51
Similarity Score:
N/A
Best Match:
N/A

VP24_EBORE

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

VP24_EBOSU

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

VP24_EBOZM

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

VP30_9MONO

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

VP30_EBOZ5

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

VP30_EBOZM

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

VP35_EBORR

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

VP35_EBOZM

Docking Scores:
-6.71 -6.89 -7.82
Similarity Score:
N/A
Best Match:
N/A

VP40_EBOZM

Docking Scores:
-6.48 -5.68
Similarity Score:
N/A
Best Match:
N/A