drug #444 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
2A_HE71

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

2A_HE71M

Docking Scores:
-5.73
Similarity Score:
N/A
Best Match:
N/A

2C_HE71

Docking Scores:
-4.48 -4.78
Similarity Score:
N/A
Best Match:
N/A

3A_9ENTO

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

3A_HE71M

Docking Scores:
-4.20
Similarity Score:
N/A
Best Match:
N/A

3A_HED68

Docking Scores:
-3.93
Similarity Score:
N/A
Best Match:
N/A

3C_HE71

Docking Scores:
-4.33 -5.51
Similarity Score:
N/A
Best Match:
N/A

3C_HED68

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

3D_HE71

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

3D_HED68

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

ACE2_HUMAN

Docking Scores:
-6.42
Similarity Score:
29.69%
Best Match:
CHEMBL254493

CAPSD_9CALI

Docking Scores:
-5.19 -5.12 -5.81
Similarity Score:
N/A
Best Match:
N/A

CAPSD_9ENTO

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

CAPSD_DEN2P

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

CAPSD_HCV77

Docking Scores:
-3.69
Similarity Score:
33.33%
Best Match:
CHEMBL4107993

CAPSD_HED68

Docking Scores:
-6.21 -6.57
Similarity Score:
N/A
Best Match:
N/A

CAPSD_ZIKV

Docking Scores:
-4.92 -5.07
Similarity Score:
N/A
Best Match:
N/A

DPM_HHV1K

Docking Scores:
-5.77
Similarity Score:
15.07%
Best Match:
CHEMBL479371

E1_9HEPC

Docking Scores:
-4.10
Similarity Score:
N/A
Best Match:
N/A

E1_HCV77

Docking Scores:
-3.75
Similarity Score:
33.33%
Best Match:
CHEMBL4107993

E1_HCVJ1

Docking Scores:
-3.94
Similarity Score:
N/A
Best Match:
N/A

E2_9HEPC

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

E2_HCV77

Docking Scores:
-4.60
Similarity Score:
33.33%
Best Match:
CHEMBL4107993

ENV_9FLAV

Docking Scores:
-4.33
Similarity Score:
N/A
Best Match:
N/A

ENV_DEN1B

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

ENV_DEN2P

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

ENV_DEN3P

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

ENV_HHV2H

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

ENV_ZIKV

Docking Scores:
-4.46
Similarity Score:
N/A
Best Match:
N/A

ENV_ZIKVK

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

G1_ADNV

Docking Scores:
-3.57 -5.04 -4.99
Similarity Score:
N/A
Best Match:
N/A

G2_ADNV

Docking Scores:
-6.02 -5.82 -4.89
Similarity Score:
N/A
Best Match:
N/A

GB_HHV11

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

GB_HHV1K

Docking Scores:
-6.00 -5.77
Similarity Score:
N/A
Best Match:
N/A

GD_9ALPH

Docking Scores:
-5.60 -5.27
Similarity Score:
N/A
Best Match:
N/A

GD_HHV1

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

GP160_HIV1

Docking Scores:
-6.28 -5.12 -5.67
Similarity Score:
N/A
Best Match:
N/A

GP160_HIV2

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

GP_EBOV

Docking Scores:
-5.33 -5.46 -5.38
Similarity Score:
25.71%
Best Match:
CHEMBL1655

GP_LASSJ

Docking Scores:
-5.18 -5.76
Similarity Score:
N/A
Best Match:
N/A

HA_A-H10N7

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

HA_A-H10N8

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

HA_A-H13N6

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

HA_A-H14N6

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

HA_A-H15N9

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

HA_A-H17N10

Docking Scores:
-4.35
Similarity Score:
N/A
Best Match:
N/A

HA_A-H18N11

Docking Scores:
-4.42
Similarity Score:
N/A
Best Match:
N/A

HA_A-H1N1

Docking Scores:
-5.13 -5.03
Similarity Score:
N/A
Best Match:
N/A

HA_A-H2N2

Docking Scores:
-4.88 -5.11
Similarity Score:
N/A
Best Match:
N/A

HA_A-H3N2

Docking Scores:
-5.06 -5.13 -4.94
Similarity Score:
N/A
Best Match:
N/A

HA_A-H3N8

Docking Scores:
-4.44 -4.74 -4.76
Similarity Score:
N/A
Best Match:
N/A

HA_A-H5N1

Docking Scores:
-5.28 -5.59 -6.02
Similarity Score:
N/A
Best Match:
N/A

HA_A-H5N3

Docking Scores:
-5.38 -5.14
Similarity Score:
N/A
Best Match:
N/A

HA_A-H6N1

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

HA_A-H6N6

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

HA_A-H7N2

Docking Scores:
-5.00 -4.62 -5.23
Similarity Score:
N/A
Best Match:
N/A

HA_A-H7N7

Docking Scores:
-4.88 -5.18
Similarity Score:
N/A
Best Match:
N/A

HA_A-H7N9

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

HA_INFB

Docking Scores:
-5.17 -5.15
Similarity Score:
N/A
Best Match:
N/A

HA_INFD

Docking Scores:
-4.27
Similarity Score:
N/A
Best Match:
N/A

HE_BCV

Docking Scores:
-6.58 -5.28
Similarity Score:
N/A
Best Match:
N/A

HE_HCoV-OC43

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

HE_MHV

Docking Scores:
-4.68
Similarity Score:
N/A
Best Match:
N/A

IN_HIV1

Docking Scores:
-4.15 -4.41
Similarity Score:
N/A
Best Match:
N/A

MD_HKU4

Docking Scores:
-6.80 -6.36 -6.14
Similarity Score:
N/A
Best Match:
N/A

MD_MERs

Docking Scores:
-6.88 -6.35
Similarity Score:
N/A
Best Match:
N/A

MEM_9FLAV

Docking Scores:
-4.61
Similarity Score:
N/A
Best Match:
N/A

MTASE_SARS2

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

MTASE_SARS2

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

MX2_A-H5N1

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

MX_9MONO

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

MX_LASSJ

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

NA_A-H11N6

Docking Scores:
-5.58 -5.68 -5.65
Similarity Score:
N/A
Best Match:
N/A

NA_A-H11N9

Docking Scores:
-5.88 -6.01 -5.56
Similarity Score:
N/A
Best Match:
N/A

NA_A-H12N5

Docking Scores:
-6.11 -5.57 -5.60
Similarity Score:
N/A
Best Match:
N/A

NA_A-H13N9

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

NA_A-H17N10

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

NA_A-H18N11

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

NA_A-H1N1

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

NA_A-H2N2

Docking Scores:
-5.90 -5.87 -5.94
Similarity Score:
N/A
Best Match:
N/A

NA_A-H3N2

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

NA_A-H3N8

Docking Scores:
-5.34 -6.41 -5.89
Similarity Score:
18.18%
Best Match:
CHEMBL4292576

NA_A-H5N1

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

NA_A-H7N9

Docking Scores:
-5.50 -5.63 -5.60
Similarity Score:
N/A
Best Match:
N/A

NA_INFB

Docking Scores:
-5.91 -5.98
Similarity Score:
14.56%
Best Match:
CHEMBL81286

NP_9ADNV

Docking Scores:
-4.36 -6.30
Similarity Score:
N/A
Best Match:
N/A

NP_A-H1N1

Docking Scores:
-5.36 -5.70 -5.84
Similarity Score:
N/A
Best Match:
N/A

NP_A-H5N1

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

NP_EBOZM

Docking Scores:
-4.92 -5.62 -5.05
Similarity Score:
N/A
Best Match:
N/A

NP_HCoV-NL63

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

NP_HCoV-OC43

Docking Scores:
-6.55 -5.79 -5.75
Similarity Score:
10.38%
Best Match:
CHEMBL3233481

NP_INFB

Docking Scores:
-4.22
Similarity Score:
N/A
Best Match:
N/A

NP_INFD

Docking Scores:
-4.35
Similarity Score:
N/A
Best Match:
N/A

NP_LASSJ

Docking Scores:
-6.78 -6.39 -3.62
Similarity Score:
N/A
Best Match:
N/A

NP_SARS

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

NS1_9CALI

Docking Scores:
-5.13 -4.62 -4.80
Similarity Score:
N/A
Best Match:
N/A

NS1_9FLAV

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

NS1_DEN1W

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

NS1_ZIKV

Docking Scores:
-6.38 -5.97 -5.35
Similarity Score:
N/A
Best Match:
N/A

NS2A_9FLAV

Docking Scores:
-3.53
Similarity Score:
N/A
Best Match:
N/A

NS2B_DEN1W

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

NS2B_DEN2P

Docking Scores:
-5.77 -5.50
Similarity Score:
N/A
Best Match:
N/A

NS2B_ZIKV

Docking Scores:
-5.71 -5.22
Similarity Score:
N/A
Best Match:
N/A

NS2B_ZIKVF

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

NS3_9FLAV

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

NS3_DEN4T

Docking Scores:
-6.70 -5.26
Similarity Score:
N/A
Best Match:
N/A

NS3_HCV1A

Docking Scores:
-5.85 -6.08 -6.08
Similarity Score:
33.33%
Best Match:
CHEMBL4107993

NS3_HCV1B

Docking Scores:
-5.92 -5.14 -5.79
Similarity Score:
15.86%
Best Match:
CHEMBL1170408

NS3_HCV3A

Docking Scores:
-5.88 -5.90 -5.85
Similarity Score:
N/A
Best Match:
N/A

NS3_ZIKV

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

NS5B_HCV1A

Docking Scores:
-6.13 -7.39 -7.02
Similarity Score:
31.30%
Best Match:
CHEMBL446360

NS5B_HCV1B

Docking Scores:
-5.75 -6.16 -5.93
Similarity Score:
19.70%
Best Match:
CHEMBL3645180

NS5B_HCV2A

Docking Scores:
-6.63 -6.55
Similarity Score:
16.67%
Best Match:
CHEMBL3127326

NS5_9FLAV

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

NS5_DEN3S

Docking Scores:
-5.25 -6.19
Similarity Score:
N/A
Best Match:
N/A

NS5_ZIKV

Docking Scores:
-5.83 -4.34
Similarity Score:
N/A
Best Match:
N/A

NS5_ZIKVF

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

NS6_9CALI

Docking Scores:
-4.27 -5.38 -4.73
Similarity Score:
N/A
Best Match:
N/A

NSP15_SARS

Docking Scores:
-5.75
Similarity Score:
29.57%
Best Match:
CHEMBL221366

NSP15_SARS2

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

NSP1_INFB

Docking Scores:
-4.43 -4.02
Similarity Score:
N/A
Best Match:
N/A

NSP1_SARS

Docking Scores:
-5.10
Similarity Score:
29.57%
Best Match:
CHEMBL221366

NSP3_HCoV-229E

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

NSP3_IBV

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

NSP3_MHV

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

NSP3_SARS2

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

NSP9_HCoV-229E

Docking Scores:
-5.54 -5.55
Similarity Score:
N/A
Best Match:
N/A

PA_A-H17N10

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

PA_A-H1N1

Docking Scores:
-5.40 -5.84 -5.35
Similarity Score:
N/A
Best Match:
N/A

PA_A-H5N1

Docking Scores:
-5.93 -5.72 -5.50
Similarity Score:
N/A
Best Match:
N/A

PA_INFA

Docking Scores:
-6.81 -5.31 -5.44
Similarity Score:
39.56%
Best Match:
CHEMBL3600947

PA_INFB

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

PB2_A-H3N2

Docking Scores:
-6.03 -6.07
Similarity Score:
N/A
Best Match:
N/A

PB2_A-H5N1

Docking Scores:
-5.63 -5.57 -6.04
Similarity Score:
N/A
Best Match:
N/A

PB2_INFB

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

PB3_A-H3N2

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

PB4_A-H3N2

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

PLP_SARS

Docking Scores:
-6.70 -6.71 -6.30
Similarity Score:
40.95%
Best Match:
CHEMBL222735

PLP_SARS2

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

PM_9VIRU

Docking Scores:
-5.88 -5.15
Similarity Score:
N/A
Best Match:
N/A

PR_FCoV

Docking Scores:
-4.85
Similarity Score:
15.82%
Best Match:
CHEMBL4214471

PR_HCoV-229E

Docking Scores:
-4.83 -4.56
Similarity Score:
N/A
Best Match:
N/A

PR_HCoV-NL63

Docking Scores:
-5.09 -5.19
Similarity Score:
N/A
Best Match:
N/A

PR_HIV1

Docking Scores:
-4.76 -5.20 -5.08
Similarity Score:
17.82%
Best Match:
CHEMBL450294

PR_HIV2

Docking Scores:
-5.31 -4.86
Similarity Score:
N/A
Best Match:
N/A

PR_HKU1

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

PR_HKU4

Docking Scores:
-4.73 -5.43 -5.11
Similarity Score:
N/A
Best Match:
N/A

PR_IBV

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

PR_MERs

Docking Scores:
-5.53 -5.14
Similarity Score:
N/A
Best Match:
N/A

PR_PEDV

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

PR_SARS

Docking Scores:
-5.48 -5.35 -5.17
Similarity Score:
29.57%
Best Match:
CHEMBL221366

PR_SARS2

Docking Scores:
-5.13
Similarity Score:
N/A
Best Match:
N/A

PR_TGEV

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

P_9CALI

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

P_NVN68

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

RDRP_SARS2

Docking Scores:
-5.49
Similarity Score:
11.87%
Best Match:
CHEMBL4065616

RT_HIV1

Docking Scores:
-6.92 -6.85 -7.01
Similarity Score:
23.36%
Best Match:
CHEMBL3775172

SPIKE_HCoV-229E

Docking Scores:
-4.15
Similarity Score:
N/A
Best Match:
N/A

SPIKE_HCoV-NL63

Docking Scores:
-4.60
Similarity Score:
N/A
Best Match:
N/A

SPIKE_HCoV-OC43

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

SPIKE_HKU4

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

SPIKE_IBV

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

SPIKE_MERs

Docking Scores:
-5.73 -5.14 -4.40
Similarity Score:
N/A
Best Match:
N/A

SPIKE_MHV

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

SPIKE_PDCoV

Docking Scores:
-5.13
Similarity Score:
N/A
Best Match:
N/A

SPIKE_SARS

Docking Scores:
-4.93 -5.17
Similarity Score:
N/A
Best Match:
N/A

SPIKE_SARS2

Docking Scores:
-4.76 -4.77 -5.15
Similarity Score:
N/A
Best Match:
N/A

VP1_9CALI

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

VP1_NVN68

Docking Scores:
-4.62
Similarity Score:
N/A
Best Match:
N/A

VP24_EBORE

Docking Scores:
-4.84
Similarity Score:
N/A
Best Match:
N/A

VP24_EBOSU

Docking Scores:
-3.97
Similarity Score:
N/A
Best Match:
N/A

VP24_EBOZM

Docking Scores:
-4.33
Similarity Score:
N/A
Best Match:
N/A

VP30_9MONO

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

VP30_EBOZ5

Docking Scores:
-5.07
Similarity Score:
N/A
Best Match:
N/A

VP30_EBOZM

Docking Scores:
-5.26
Similarity Score:
N/A
Best Match:
N/A

VP35_EBORR

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

VP35_EBOZM

Docking Scores:
-4.76 -4.84 -4.91
Similarity Score:
N/A
Best Match:
N/A

VP40_EBOZM

Docking Scores:
-4.43 -4.39
Similarity Score:
N/A
Best Match:
N/A