CHEMBL415 #451 Output - VIRUS-CKB

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CHEMBL415 #451 Output Download CSV

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Gene Protein

The docking scores are in the AutoDock Vina metric.

2A_HE71

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

2A_HE71M

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

2C_HE71

Docking Scores:
-5.20 -5.76
Similarity Score:
N/A
Best Match:
N/A

3A_9ENTO

Docking Scores:
-5.53
Similarity Score:
N/A
Best Match:
N/A

3A_HE71M

Docking Scores:
-5.16
Similarity Score:
N/A
Best Match:
N/A

3A_HED68

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

3C_HE71

Docking Scores:
-5.45 -5.59
Similarity Score:
N/A
Best Match:
N/A

3C_HED68

Docking Scores:
-4.90
Similarity Score:
N/A
Best Match:
N/A

3D_HE71

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

3D_HED68

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

ACE2_HUMAN

Docking Scores:
-8.05
Similarity Score:
26.23%
Best Match:
CHEMBL258333

CAPSD_9CALI

Docking Scores:
-6.78 -6.83 -7.39
Similarity Score:
N/A
Best Match:
N/A

CAPSD_9ENTO

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

CAPSD_DEN2P

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

CAPSD_HCV77

Docking Scores:
-4.34
Similarity Score:
31.47%
Best Match:
CHEMBL3984600

CAPSD_HED68

Docking Scores:
-8.40 -8.84
Similarity Score:
N/A
Best Match:
N/A

CAPSD_ZIKV

Docking Scores:
-6.05 -6.45
Similarity Score:
N/A
Best Match:
N/A

DPM_HHV1K

Docking Scores:
-7.77
Similarity Score:
17.87%
Best Match:
CHEMBL479371

E1_9HEPC

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

E1_HCV77

Docking Scores:
-4.12
Similarity Score:
31.47%
Best Match:
CHEMBL3984600

E1_HCVJ1

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

E2_9HEPC

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

E2_HCV77

Docking Scores:
-5.09
Similarity Score:
31.47%
Best Match:
CHEMBL3984600

ENV_9FLAV

Docking Scores:
-4.45
Similarity Score:
N/A
Best Match:
N/A

ENV_DEN1B

Docking Scores:
-4.76
Similarity Score:
N/A
Best Match:
N/A

ENV_DEN2P

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

ENV_DEN3P

Docking Scores:
-5.39
Similarity Score:
N/A
Best Match:
N/A

ENV_HHV2H

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

ENV_ZIKV

Docking Scores:
-4.87
Similarity Score:
N/A
Best Match:
N/A

ENV_ZIKVK

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

G1_ADNV

Docking Scores:
-3.64 -6.93 -6.74
Similarity Score:
N/A
Best Match:
N/A

G2_ADNV

Docking Scores:
-7.22 -6.91 -5.49
Similarity Score:
N/A
Best Match:
N/A

GB_HHV11

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

GB_HHV1K

Docking Scores:
-7.32 -6.49
Similarity Score:
N/A
Best Match:
N/A

GD_9ALPH

Docking Scores:
-6.55 -5.95
Similarity Score:
N/A
Best Match:
N/A

GD_HHV1

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

GP160_HIV1

Docking Scores:
-5.50 -6.35 -5.76
Similarity Score:
N/A
Best Match:
N/A

GP160_HIV2

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

GP_EBOV

Docking Scores:
-7.00 -7.66 -7.40
Similarity Score:
32.58%
Best Match:
CHEMBL4640931

GP_LASSJ

Docking Scores:
-5.29 -5.66
Similarity Score:
N/A
Best Match:
N/A

HA_A-H10N7

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

HA_A-H10N8

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

HA_A-H13N6

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

HA_A-H14N6

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

HA_A-H15N9

Docking Scores:
-5.56
Similarity Score:
N/A
Best Match:
N/A

HA_A-H17N10

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

HA_A-H18N11

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

HA_A-H1N1

Docking Scores:
-5.32 -5.62
Similarity Score:
N/A
Best Match:
N/A

HA_A-H2N2

Docking Scores:
-5.33 -6.05
Similarity Score:
N/A
Best Match:
N/A

HA_A-H3N2

Docking Scores:
-5.79 -5.92 -5.84
Similarity Score:
N/A
Best Match:
N/A

HA_A-H3N8

Docking Scores:
-5.42 -5.44 -5.56
Similarity Score:
N/A
Best Match:
N/A

HA_A-H5N1

Docking Scores:
-6.09 -6.27 -6.15
Similarity Score:
N/A
Best Match:
N/A

HA_A-H5N3

Docking Scores:
-6.41 -5.94
Similarity Score:
N/A
Best Match:
N/A

HA_A-H6N1

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

HA_A-H6N6

Docking Scores:
-5.72
Similarity Score:
N/A
Best Match:
N/A

HA_A-H7N2

Docking Scores:
-5.56 -5.48 -5.34
Similarity Score:
N/A
Best Match:
N/A

HA_A-H7N7

Docking Scores:
-5.30 -5.89
Similarity Score:
N/A
Best Match:
N/A

HA_A-H7N9

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

HA_INFB

Docking Scores:
-5.99 -6.00
Similarity Score:
N/A
Best Match:
N/A

HA_INFD

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

HE_BCV

Docking Scores:
-5.76 -5.42
Similarity Score:
N/A
Best Match:
N/A

HE_HCoV-OC43

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

HE_MHV

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

IN_HIV1

Docking Scores:
-5.24 -5.51
Similarity Score:
N/A
Best Match:
N/A

MD_HKU4

Docking Scores:
-7.63 -7.20 -7.11
Similarity Score:
N/A
Best Match:
N/A

MD_MERs

Docking Scores:
-7.49 -7.15
Similarity Score:
N/A
Best Match:
N/A

MEM_9FLAV

Docking Scores:
-5.56
Similarity Score:
N/A
Best Match:
N/A

MTASE_SARS2

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

MTASE_SARS2

Docking Scores:
-7.18
Similarity Score:
N/A
Best Match:
N/A

MX2_A-H5N1

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

MX_9MONO

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

MX_LASSJ

Docking Scores:
-5.12
Similarity Score:
N/A
Best Match:
N/A

NA_A-H11N6

Docking Scores:
-7.00 -6.99 -6.97
Similarity Score:
N/A
Best Match:
N/A

NA_A-H11N9

Docking Scores:
-5.81 -7.12 -6.92
Similarity Score:
N/A
Best Match:
N/A

NA_A-H12N5

Docking Scores:
-6.34 -6.41 -6.56
Similarity Score:
N/A
Best Match:
N/A

NA_A-H13N9

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

NA_A-H17N10

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

NA_A-H18N11

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

NA_A-H1N1

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

NA_A-H2N2

Docking Scores:
-6.79 -6.60 -6.65
Similarity Score:
N/A
Best Match:
N/A

NA_A-H3N2

Docking Scores:
-6.43 -6.57
Similarity Score:
N/A
Best Match:
N/A

NA_A-H3N8

Docking Scores:
-6.53 -6.72 -6.75
Similarity Score:
14.21%
Best Match:
CHEMBL4285767

NA_A-H5N1

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

NA_A-H7N9

Docking Scores:
-6.73 -6.50 -6.86
Similarity Score:
N/A
Best Match:
N/A

NA_INFB

Docking Scores:
-6.45 -6.90
Similarity Score:
18.23%
Best Match:
CHEMBL4175983

NP_9ADNV

Docking Scores:
-4.31 -7.62
Similarity Score:
N/A
Best Match:
N/A

NP_A-H1N1

Docking Scores:
-6.22 -7.52 -5.60
Similarity Score:
N/A
Best Match:
N/A

NP_A-H5N1

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

NP_EBOZM

Docking Scores:
-6.57 -5.27 -6.05
Similarity Score:
N/A
Best Match:
N/A

NP_HCoV-NL63

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

NP_HCoV-OC43

Docking Scores:
-8.12 -7.61 -6.93
Similarity Score:
21.37%
Best Match:
CHEMBL3233481

NP_INFB

Docking Scores:
-4.76
Similarity Score:
N/A
Best Match:
N/A

NP_INFD

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

NP_LASSJ

Docking Scores:
-8.38 -9.18 -4.39
Similarity Score:
N/A
Best Match:
N/A

NP_SARS

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

NS1_9CALI

Docking Scores:
-5.95 -5.27 -5.67
Similarity Score:
N/A
Best Match:
N/A

NS1_9FLAV

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

NS1_DEN1W

Docking Scores:
-4.70
Similarity Score:
N/A
Best Match:
N/A

NS1_ZIKV

Docking Scores:
-8.18 -6.28 -6.42
Similarity Score:
N/A
Best Match:
N/A

NS2A_9FLAV

Docking Scores:
-4.09
Similarity Score:
N/A
Best Match:
N/A

NS2B_DEN1W

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

NS2B_DEN2P

Docking Scores:
-6.99 -6.65
Similarity Score:
N/A
Best Match:
N/A

NS2B_ZIKV

Docking Scores:
-6.39 -6.09
Similarity Score:
N/A
Best Match:
N/A

NS2B_ZIKVF

Docking Scores:
-6.29
Similarity Score:
N/A
Best Match:
N/A

NS3_9FLAV

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

NS3_DEN4T

Docking Scores:
-7.17 -7.24
Similarity Score:
N/A
Best Match:
N/A

NS3_HCV1A

Docking Scores:
-7.24 -5.41 -5.81
Similarity Score:
31.47%
Best Match:
CHEMBL3984600

NS3_HCV1B

Docking Scores:
-5.88 -6.07 -5.72
Similarity Score:
19.13%
Best Match:
CHEMBL3125634

NS3_HCV3A

Docking Scores:
-6.72 -6.73 -6.00
Similarity Score:
N/A
Best Match:
N/A

NS3_ZIKV

Docking Scores:
-7.08
Similarity Score:
N/A
Best Match:
N/A

NS5B_HCV1A

Docking Scores:
-7.51 -7.44 -7.52
Similarity Score:
24.19%
Best Match:
CHEMBL3644912

NS5B_HCV1B

Docking Scores:
-7.45 -7.48 -6.12
Similarity Score:
31.10%
Best Match:
CHEMBL3645184

NS5B_HCV2A

Docking Scores:
-8.28 -8.40
Similarity Score:
27.39%
Best Match:
CHEMBL3127326

NS5_9FLAV

Docking Scores:
-7.08
Similarity Score:
N/A
Best Match:
N/A

NS5_DEN3S

Docking Scores:
-6.58 -6.79
Similarity Score:
N/A
Best Match:
N/A

NS5_ZIKV

Docking Scores:
-7.13 -5.11
Similarity Score:
N/A
Best Match:
N/A

NS5_ZIKVF

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

NS6_9CALI

Docking Scores:
-5.01 -5.31 -5.79
Similarity Score:
N/A
Best Match:
N/A

NSP15_SARS

Docking Scores:
-5.34
Similarity Score:
21.21%
Best Match:
CHEMBL2441745

NSP15_SARS2

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

NSP1_INFB

Docking Scores:
-5.57 -5.66
Similarity Score:
N/A
Best Match:
N/A

NSP1_SARS

Docking Scores:
-5.76
Similarity Score:
21.21%
Best Match:
CHEMBL2441745

NSP3_HCoV-229E

Docking Scores:
-8.71
Similarity Score:
N/A
Best Match:
N/A

NSP3_IBV

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

NSP3_MHV

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

NSP3_SARS2

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

NSP9_HCoV-229E

Docking Scores:
-6.90 -5.79
Similarity Score:
N/A
Best Match:
N/A

PA_A-H17N10

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

PA_A-H1N1

Docking Scores:
-6.87 -6.92 -7.11
Similarity Score:
N/A
Best Match:
N/A

PA_A-H5N1

Docking Scores:
-7.04 -6.89 -6.90
Similarity Score:
N/A
Best Match:
N/A

PA_INFA

Docking Scores:
-8.27 -6.59 -6.64
Similarity Score:
30.71%
Best Match:
CHEMBL2040554

PA_INFB

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

PB2_A-H3N2

Docking Scores:
-7.39 -7.79
Similarity Score:
N/A
Best Match:
N/A

PB2_A-H5N1

Docking Scores:
-7.06 -6.80 -7.65
Similarity Score:
N/A
Best Match:
N/A

PB2_INFB

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

PB3_A-H3N2

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

PB4_A-H3N2

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

PLP_SARS

Docking Scores:
-7.06 -8.34 -7.06
Similarity Score:
29.86%
Best Match:
CHEMBL358279

PLP_SARS2

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

PM_9VIRU

Docking Scores:
-6.81 -6.98
Similarity Score:
N/A
Best Match:
N/A

PR_FCoV

Docking Scores:
-6.63
Similarity Score:
19.54%
Best Match:
CHEMBL4214471

PR_HCoV-229E

Docking Scores:
-6.28 -6.50
Similarity Score:
N/A
Best Match:
N/A

PR_HCoV-NL63

Docking Scores:
-5.12 -6.37
Similarity Score:
N/A
Best Match:
N/A

PR_HIV1

Docking Scores:
-6.39 -6.49 -5.71
Similarity Score:
20.43%
Best Match:
CHEMBL510485

PR_HIV2

Docking Scores:
-7.11 -6.01
Similarity Score:
N/A
Best Match:
N/A

PR_HKU1

Docking Scores:
-6.29
Similarity Score:
N/A
Best Match:
N/A

PR_HKU4

Docking Scores:
-6.61 -6.96 -6.66
Similarity Score:
N/A
Best Match:
N/A

PR_IBV

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

PR_MERs

Docking Scores:
-7.10 -6.11
Similarity Score:
N/A
Best Match:
N/A

PR_PEDV

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

PR_SARS

Docking Scores:
-5.74 -6.18 -7.69
Similarity Score:
21.21%
Best Match:
CHEMBL2441745

PR_SARS2

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

PR_TGEV

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

P_9CALI

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

P_NVN68

Docking Scores:
-5.29
Similarity Score:
N/A
Best Match:
N/A

RDRP_SARS2

Docking Scores:
-6.22
Similarity Score:
15.07%
Best Match:
CHEMBL4065616

RT_HIV1

Docking Scores:
-9.81 -9.78 -9.95
Similarity Score:
34.07%
Best Match:
CHEMBL4227382

SPIKE_HCoV-229E

Docking Scores:
-4.75
Similarity Score:
N/A
Best Match:
N/A

SPIKE_HCoV-NL63

Docking Scores:
-4.70
Similarity Score:
N/A
Best Match:
N/A

SPIKE_HCoV-OC43

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

SPIKE_HKU4

Docking Scores:
-6.11
Similarity Score:
N/A
Best Match:
N/A

SPIKE_IBV

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

SPIKE_MERs

Docking Scores:
-6.67 -5.59 -5.01
Similarity Score:
N/A
Best Match:
N/A

SPIKE_MHV

Docking Scores:
-6.13
Similarity Score:
N/A
Best Match:
N/A

SPIKE_PDCoV

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

SPIKE_SARS

Docking Scores:
-5.54 -6.04
Similarity Score:
N/A
Best Match:
N/A

SPIKE_SARS2

Docking Scores:
-6.02 -5.45 -5.56
Similarity Score:
N/A
Best Match:
N/A

VP1_9CALI

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

VP1_NVN68

Docking Scores:
-5.53
Similarity Score:
N/A
Best Match:
N/A

VP24_EBORE

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

VP24_EBOSU

Docking Scores:
-4.47
Similarity Score:
N/A
Best Match:
N/A

VP24_EBOZM

Docking Scores:
-5.31
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:
-7.15
Similarity Score:
N/A
Best Match:
N/A

VP30_EBOZM

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

VP35_EBORR

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

VP35_EBOZM

Docking Scores:
-5.94 -6.18 -6.16
Similarity Score:
N/A
Best Match:
N/A

VP40_EBOZM

Docking Scores:
-5.60 -5.19
Similarity Score:
N/A
Best Match:
N/A