trial #445 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: molecule_mod
2A_HE71

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

L: molecule
2A_HE71

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

L: molecule_mod
2A_HE71M

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

L: molecule
2A_HE71M

Docking Scores:
-3.81
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
2C_HE71

Docking Scores:
-3.18 -3.58
Similarity Score:
N/A
Best Match:
N/A

L: molecule
2C_HE71

Docking Scores:
-2.81 -3.18
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
3A_9ENTO

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

L: molecule
3A_9ENTO

Docking Scores:
-3.48
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
3A_HE71M

Docking Scores:
-3.50
Similarity Score:
N/A
Best Match:
N/A

L: molecule
3A_HE71M

Docking Scores:
-3.01
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
3A_HED68

Docking Scores:
-3.47
Similarity Score:
N/A
Best Match:
N/A

L: molecule
3A_HED68

Docking Scores:
-3.15
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
3C_HE71

Docking Scores:
-3.91 -4.62
Similarity Score:
N/A
Best Match:
N/A

L: molecule
3C_HE71

Docking Scores:
-3.35 -3.95
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
3C_HED68

Docking Scores:
-3.13
Similarity Score:
N/A
Best Match:
N/A

L: molecule
3C_HED68

Docking Scores:
-2.80
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
3D_HE71

Docking Scores:
-4.16
Similarity Score:
N/A
Best Match:
N/A

L: molecule
3D_HE71

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

L: molecule_mod
3D_HED68

Docking Scores:
-4.13
Similarity Score:
N/A
Best Match:
N/A

L: molecule
3D_HED68

Docking Scores:
-3.61
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
ACE2_HUMAN

Docking Scores:
-4.77
Similarity Score:
15.79%
Best Match:
CHEMBL258333

L: molecule
ACE2_HUMAN

Docking Scores:
-4.19
Similarity Score:
7.89%
Best Match:
CHEMBL258333

L: molecule_mod
CAPSD_9CALI

Docking Scores:
-4.69 -4.32 -4.18
Similarity Score:
N/A
Best Match:
N/A

L: molecule
CAPSD_9CALI

Docking Scores:
-4.88 -4.15 -3.86
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
CAPSD_9ENTO

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

L: molecule
CAPSD_9ENTO

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

L: molecule_mod
CAPSD_DEN2P

Docking Scores:
-4.95
Similarity Score:
N/A
Best Match:
N/A

L: molecule
CAPSD_DEN2P

Docking Scores:
-4.19
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
CAPSD_HCV77

Docking Scores:
-3.21
Similarity Score:
17.65%
Best Match:
CHEMBL4110799

L: molecule
CAPSD_HCV77

Docking Scores:
-2.35
Similarity Score:
8.82%
Best Match:
CHEMBL4110799

L: molecule_mod
CAPSD_HED68

Docking Scores:
-5.56 -5.33
Similarity Score:
N/A
Best Match:
N/A

L: molecule
CAPSD_HED68

Docking Scores:
-4.72 -4.56
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
CAPSD_ZIKV

Docking Scores:
-5.16 -4.20
Similarity Score:
N/A
Best Match:
N/A

L: molecule
CAPSD_ZIKV

Docking Scores:
-4.62 -3.66
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
DPM_HHV1K

Docking Scores:
-4.50
Similarity Score:
6.22%
Best Match:
CHEMBL481172

L: molecule
DPM_HHV1K

Docking Scores:
-4.65
Similarity Score:
3.11%
Best Match:
CHEMBL481172

L: molecule_mod
E1_9HEPC

Docking Scores:
-3.55
Similarity Score:
N/A
Best Match:
N/A

L: molecule
E1_9HEPC

Docking Scores:
-3.07
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
E1_HCV77

Docking Scores:
-3.60
Similarity Score:
17.65%
Best Match:
CHEMBL4110799

L: molecule
E1_HCV77

Docking Scores:
-3.05
Similarity Score:
8.82%
Best Match:
CHEMBL4110799

L: molecule_mod
E1_HCVJ1

Docking Scores:
-3.21
Similarity Score:
N/A
Best Match:
N/A

L: molecule
E1_HCVJ1

Docking Scores:
-2.72
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
E2_9HEPC

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

L: molecule
E2_9HEPC

Docking Scores:
-3.69
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
E2_HCV77

Docking Scores:
-3.57
Similarity Score:
17.65%
Best Match:
CHEMBL4110799

L: molecule
E2_HCV77

Docking Scores:
-3.71
Similarity Score:
8.82%
Best Match:
CHEMBL4110799

L: molecule_mod
ENV_9FLAV

Docking Scores:
-3.07
Similarity Score:
N/A
Best Match:
N/A

L: molecule
ENV_9FLAV

Docking Scores:
-2.74
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
ENV_DEN1B

Docking Scores:
-2.85
Similarity Score:
N/A
Best Match:
N/A

L: molecule
ENV_DEN1B

Docking Scores:
-2.76
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
ENV_DEN2P

Docking Scores:
-4.26
Similarity Score:
N/A
Best Match:
N/A

L: molecule
ENV_DEN2P

Docking Scores:
-3.78
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
ENV_DEN3P

Docking Scores:
-3.81
Similarity Score:
N/A
Best Match:
N/A

L: molecule
ENV_DEN3P

Docking Scores:
-3.45
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
ENV_HHV2H

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

L: molecule
ENV_HHV2H

Docking Scores:
-3.61
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
ENV_ZIKV

Docking Scores:
-3.17
Similarity Score:
N/A
Best Match:
N/A

L: molecule
ENV_ZIKV

Docking Scores:
-2.84
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
ENV_ZIKVK

Docking Scores:
-3.28
Similarity Score:
N/A
Best Match:
N/A

L: molecule
ENV_ZIKVK

Docking Scores:
-2.89
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
G1_ADNV

Docking Scores:
-3.00 -4.03 -3.89
Similarity Score:
N/A
Best Match:
N/A

L: molecule
G1_ADNV

Docking Scores:
-2.69 -3.62 -3.43
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
G2_ADNV

Docking Scores:
-3.86 -4.37 -3.42
Similarity Score:
N/A
Best Match:
N/A

L: molecule
G2_ADNV

Docking Scores:
-3.58 -4.00 -3.02
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
GB_HHV11

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

L: molecule
GB_HHV11

Docking Scores:
-4.25
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
GB_HHV1K

Docking Scores:
-4.95 -4.68
Similarity Score:
N/A
Best Match:
N/A

L: molecule
GB_HHV1K

Docking Scores:
-4.10 -3.68
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
GD_9ALPH

Docking Scores:
-3.86 -3.98
Similarity Score:
N/A
Best Match:
N/A

L: molecule
GD_9ALPH

Docking Scores:
-3.43 -3.43
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
GD_HHV1

Docking Scores:
-3.79
Similarity Score:
N/A
Best Match:
N/A

L: molecule
GD_HHV1

Docking Scores:
-3.42
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
GP160_HIV1

Docking Scores:
-5.20 -5.59 -5.47
Similarity Score:
N/A
Best Match:
N/A

L: molecule
GP160_HIV1

Docking Scores:
-3.37 -5.04 -4.47
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
GP160_HIV2

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

L: molecule
GP160_HIV2

Docking Scores:
-3.25
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
GP_EBOV

Docking Scores:
-4.64 -4.99 -4.76
Similarity Score:
15.19%
Best Match:
CHEMBL1655

L: molecule
GP_EBOV

Docking Scores:
-3.92 -4.31 -4.04
Similarity Score:
7.59%
Best Match:
CHEMBL1655

L: molecule_mod
GP_LASSJ

Docking Scores:
-3.83 -3.82
Similarity Score:
N/A
Best Match:
N/A

L: molecule
GP_LASSJ

Docking Scores:
-3.34 -3.09
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
HA_A-H10N7

Docking Scores:
-3.98
Similarity Score:
N/A
Best Match:
N/A

L: molecule
HA_A-H10N7

Docking Scores:
-3.52
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
HA_A-H10N8

Docking Scores:
-3.79
Similarity Score:
N/A
Best Match:
N/A

L: molecule
HA_A-H10N8

Docking Scores:
-3.36
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
HA_A-H13N6

Docking Scores:
-3.69
Similarity Score:
N/A
Best Match:
N/A

L: molecule
HA_A-H13N6

Docking Scores:
-3.30
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
HA_A-H14N6

Docking Scores:
-4.52
Similarity Score:
N/A
Best Match:
N/A

L: molecule
HA_A-H14N6

Docking Scores:
-3.05
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
HA_A-H15N9

Docking Scores:
-3.85
Similarity Score:
N/A
Best Match:
N/A

L: molecule
HA_A-H15N9

Docking Scores:
-3.27
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
HA_A-H17N10

Docking Scores:
-3.04
Similarity Score:
N/A
Best Match:
N/A

L: molecule
HA_A-H17N10

Docking Scores:
-3.31
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
HA_A-H18N11

Docking Scores:
-2.95
Similarity Score:
N/A
Best Match:
N/A

L: molecule
HA_A-H18N11

Docking Scores:
-2.88
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
HA_A-H1N1

Docking Scores:
-4.00 -3.47
Similarity Score:
N/A
Best Match:
N/A

L: molecule
HA_A-H1N1

Docking Scores:
-3.34 -3.12
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
HA_A-H2N2

Docking Scores:
-3.48 -3.69
Similarity Score:
N/A
Best Match:
N/A

L: molecule
HA_A-H2N2

Docking Scores:
-3.09 -3.29
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
HA_A-H3N2

Docking Scores:
-3.75 -3.54 -3.65
Similarity Score:
N/A
Best Match:
N/A

L: molecule
HA_A-H3N2

Docking Scores:
-3.20 -3.14 -3.04
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
HA_A-H3N8

Docking Scores:
-3.64 -3.61 -3.49
Similarity Score:
N/A
Best Match:
N/A

L: molecule
HA_A-H3N8

Docking Scores:
-3.12 -3.19 -3.13
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
HA_A-H5N1

Docking Scores:
-4.07 -4.43 -4.31
Similarity Score:
N/A
Best Match:
N/A

L: molecule
HA_A-H5N1

Docking Scores:
-3.52 -3.92 -3.80
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
HA_A-H5N3

Docking Scores:
-4.00 -3.97
Similarity Score:
N/A
Best Match:
N/A

L: molecule
HA_A-H5N3

Docking Scores:
-3.53 -3.37
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
HA_A-H6N1

Docking Scores:
-3.79
Similarity Score:
N/A
Best Match:
N/A

L: molecule
HA_A-H6N1

Docking Scores:
-3.36
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
HA_A-H6N6

Docking Scores:
-3.78
Similarity Score:
N/A
Best Match:
N/A

L: molecule
HA_A-H6N6

Docking Scores:
-3.28
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
HA_A-H7N2

Docking Scores:
-3.75 -3.37 -3.77
Similarity Score:
N/A
Best Match:
N/A

L: molecule
HA_A-H7N2

Docking Scores:
-3.36 -2.94 -3.33
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
HA_A-H7N7

Docking Scores:
-3.80 -3.85
Similarity Score:
N/A
Best Match:
N/A

L: molecule
HA_A-H7N7

Docking Scores:
-3.50 -3.30
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
HA_A-H7N9

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

L: molecule
HA_A-H7N9

Docking Scores:
-3.12
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
HA_INFB

Docking Scores:
-3.73 -3.85
Similarity Score:
N/A
Best Match:
N/A

L: molecule
HA_INFB

Docking Scores:
-3.38 -3.27
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
HA_INFD

Docking Scores:
-3.95
Similarity Score:
N/A
Best Match:
N/A

L: molecule
HA_INFD

Docking Scores:
-3.61
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
HE_BCV

Docking Scores:
-4.68 -4.46
Similarity Score:
N/A
Best Match:
N/A

L: molecule
HE_BCV

Docking Scores:
-4.03 -3.89
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
HE_HCoV-OC43

Docking Scores:
-3.56
Similarity Score:
N/A
Best Match:
N/A

L: molecule
HE_HCoV-OC43

Docking Scores:
-2.87
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
HE_MHV

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

L: molecule
HE_MHV

Docking Scores:
-3.40
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
IN_HIV1

Docking Scores:
-3.49 -3.45
Similarity Score:
N/A
Best Match:
N/A

L: molecule
IN_HIV1

Docking Scores:
-3.13 -2.97
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
MD_HKU4

Docking Scores:
-5.24 -4.96 -5.53
Similarity Score:
N/A
Best Match:
N/A

L: molecule
MD_HKU4

Docking Scores:
-4.71 -4.82 -4.75
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
MD_MERs

Docking Scores:
-5.06 -5.03
Similarity Score:
N/A
Best Match:
N/A

L: molecule
MD_MERs

Docking Scores:
-4.29 -4.44
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
MEM_9FLAV

Docking Scores:
-3.65
Similarity Score:
N/A
Best Match:
N/A

L: molecule
MEM_9FLAV

Docking Scores:
-3.19
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
MTASE_SARS2

Docking Scores:
-3.99
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
MTASE_SARS2

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

L: molecule
MTASE_SARS2

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

L: molecule
MTASE_SARS2

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

L: molecule_mod
MX2_A-H5N1

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

L: molecule
MX2_A-H5N1

Docking Scores:
-4.12
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
MX_9MONO

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

L: molecule
MX_9MONO

Docking Scores:
-4.08
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
MX_LASSJ

Docking Scores:
-3.33
Similarity Score:
N/A
Best Match:
N/A

L: molecule
MX_LASSJ

Docking Scores:
-2.82
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NA_A-H11N6

Docking Scores:
-4.14 -4.16 -4.14
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NA_A-H11N6

Docking Scores:
-3.54 -3.54 -3.51
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NA_A-H11N9

Docking Scores:
-3.74 -4.27 -4.78
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NA_A-H11N9

Docking Scores:
-3.13 -3.77 -4.23
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NA_A-H12N5

Docking Scores:
-4.52 -4.17 -4.31
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NA_A-H12N5

Docking Scores:
-4.33 -3.49 -3.49
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NA_A-H13N9

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

L: molecule
NA_A-H13N9

Docking Scores:
-4.58
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NA_A-H17N10

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

L: molecule
NA_A-H17N10

Docking Scores:
-3.29
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NA_A-H18N11

Docking Scores:
-3.63
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NA_A-H18N11

Docking Scores:
-3.09
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NA_A-H1N1

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

L: molecule
NA_A-H1N1

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

L: molecule_mod
NA_A-H2N2

Docking Scores:
-4.20 -4.18 -3.99
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NA_A-H2N2

Docking Scores:
-3.71 -3.47 -3.46
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NA_A-H3N2

Docking Scores:
-3.75 -4.01
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NA_A-H3N2

Docking Scores:
-3.65 -3.29
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NA_A-H3N8

Docking Scores:
-3.95 -5.46 -4.01
Similarity Score:
8.63%
Best Match:
CHEMBL4285767

L: molecule
NA_A-H3N8

Docking Scores:
-3.50 -4.76 -3.31
Similarity Score:
4.32%
Best Match:
CHEMBL4285767

L: molecule_mod
NA_A-H5N1

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

L: molecule
NA_A-H5N1

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

L: molecule_mod
NA_A-H7N9

Docking Scores:
-4.71 -4.69 -4.68
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NA_A-H7N9

Docking Scores:
-4.05 -3.97 -4.20
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NA_INFB

Docking Scores:
-4.16 -4.35
Similarity Score:
10.08%
Best Match:
CHEMBL113191

L: molecule
NA_INFB

Docking Scores:
-3.58 -3.83
Similarity Score:
5.04%
Best Match:
CHEMBL113191

L: molecule_mod
NP_9ADNV

Docking Scores:
-3.26 -4.96
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NP_9ADNV

Docking Scores:
-2.97 -4.11
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NP_A-H1N1

Docking Scores:
-4.82 -5.56 -4.51
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NP_A-H1N1

Docking Scores:
-3.90 -4.90 -3.89
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NP_A-H5N1

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

L: molecule
NP_A-H5N1

Docking Scores:
-3.98
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NP_EBOZM

Docking Scores:
-4.59 -3.41 -4.27
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NP_EBOZM

Docking Scores:
-3.98 -2.87 -3.61
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NP_HCoV-NL63

Docking Scores:
-3.23
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NP_HCoV-NL63

Docking Scores:
-2.88
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NP_HCoV-OC43

Docking Scores:
-5.47 -5.45 -4.84
Similarity Score:
10.14%
Best Match:
CHEMBL3233481

L: molecule
NP_HCoV-OC43

Docking Scores:
-4.61 -4.69 -4.07
Similarity Score:
9.38%
Best Match:
CHEMBL3233481

L: molecule_mod
NP_INFB

Docking Scores:
-3.14
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NP_INFB

Docking Scores:
-2.96
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NP_INFD

Docking Scores:
-3.59
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NP_INFD

Docking Scores:
-3.14
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NP_LASSJ

Docking Scores:
-5.55 -5.77 -2.62
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NP_LASSJ

Docking Scores:
-4.57 -4.93 -2.26
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NP_SARS

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

L: molecule
NP_SARS

Docking Scores:
-3.44
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NS1_9CALI

Docking Scores:
-3.89 -3.63 -3.69
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NS1_9CALI

Docking Scores:
-3.52 -2.82 -3.12
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NS1_9FLAV

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

L: molecule
NS1_9FLAV

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

L: molecule_mod
NS1_DEN1W

Docking Scores:
-3.45
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NS1_DEN1W

Docking Scores:
-3.02
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NS1_ZIKV

Docking Scores:
-4.68 -4.50 -3.76
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NS1_ZIKV

Docking Scores:
-3.97 -3.95 -3.33
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NS2A_9FLAV

Docking Scores:
-3.56
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NS2A_9FLAV

Docking Scores:
-2.96
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NS2B_DEN1W

Docking Scores:
-3.87
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NS2B_DEN1W

Docking Scores:
-3.30
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NS2B_DEN2P

Docking Scores:
-4.60 -4.02
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NS2B_DEN2P

Docking Scores:
-3.94 -3.56
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NS2B_ZIKV

Docking Scores:
-4.52 -4.47
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NS2B_ZIKV

Docking Scores:
-3.97 -3.68
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NS2B_ZIKVF

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

L: molecule
NS2B_ZIKVF

Docking Scores:
-4.28
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NS3_9FLAV

Docking Scores:
-4.37
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NS3_9FLAV

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

L: molecule_mod
NS3_DEN4T

Docking Scores:
-4.45 -4.33
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NS3_DEN4T

Docking Scores:
-3.79 -3.56
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NS3_HCV1A

Docking Scores:
-4.51 -3.79 -4.37
Similarity Score:
17.65%
Best Match:
CHEMBL4110799

L: molecule
NS3_HCV1A

Docking Scores:
-4.08 -3.45 -3.40
Similarity Score:
8.82%
Best Match:
CHEMBL4110799

L: molecule_mod
NS3_HCV1B

Docking Scores:
-4.66 -3.84 -4.06
Similarity Score:
5.71%
Best Match:
CHEMBL1170408

L: molecule
NS3_HCV1B

Docking Scores:
-4.14 -4.01 -3.67
Similarity Score:
2.86%
Best Match:
CHEMBL1170408

L: molecule_mod
NS3_HCV3A

Docking Scores:
-4.11 -4.20 -4.03
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NS3_HCV3A

Docking Scores:
-3.51 -3.65 -3.44
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NS3_ZIKV

Docking Scores:
-4.29
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NS3_ZIKV

Docking Scores:
-4.05
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NS5B_HCV1A

Docking Scores:
-4.44 -5.45 -5.40
Similarity Score:
14.29%
Best Match:
CHEMBL175894

L: molecule
NS5B_HCV1A

Docking Scores:
-4.11 -4.99 -4.84
Similarity Score:
7.14%
Best Match:
CHEMBL175894

L: molecule_mod
NS5B_HCV1B

Docking Scores:
-4.91 -5.38 -5.22
Similarity Score:
18.75%
Best Match:
CHEMBL99408

L: molecule
NS5B_HCV1B

Docking Scores:
-4.55 -4.88 -4.87
Similarity Score:
23.08%
Best Match:
CHEMBL99408

L: molecule_mod
NS5B_HCV2A

Docking Scores:
-5.31 -5.42
Similarity Score:
9.84%
Best Match:
CHEMBL3127326

L: molecule
NS5B_HCV2A

Docking Scores:
-4.69 -4.66
Similarity Score:
4.92%
Best Match:
CHEMBL3127326

L: molecule_mod
NS5_9FLAV

Docking Scores:
-4.50
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NS5_9FLAV

Docking Scores:
-3.98
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NS5_DEN3S

Docking Scores:
-3.80 -5.09
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NS5_DEN3S

Docking Scores:
-3.46 -4.28
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NS5_ZIKV

Docking Scores:
-4.55 -3.48
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NS5_ZIKV

Docking Scores:
-4.02 -3.00
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NS5_ZIKVF

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

L: molecule
NS5_ZIKVF

Docking Scores:
-4.00
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NS6_9CALI

Docking Scores:
-3.10 -3.66 -3.57
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NS6_9CALI

Docking Scores:
-3.22 -3.27 -3.12
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NSP15_SARS

Docking Scores:
-3.79
Similarity Score:
14.63%
Best Match:
CHEMBL471187

L: molecule
NSP15_SARS

Docking Scores:
-3.29
Similarity Score:
17.14%
Best Match:
CHEMBL471187

L: molecule_mod
NSP15_SARS2

Docking Scores:
-3.88
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NSP15_SARS2

Docking Scores:
-3.33
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NSP1_INFB

Docking Scores:
-4.00 -3.78
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NSP1_INFB

Docking Scores:
-3.63 -3.40
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NSP1_SARS

Docking Scores:
-3.43
Similarity Score:
14.63%
Best Match:
CHEMBL471187

L: molecule
NSP1_SARS

Docking Scores:
-2.94
Similarity Score:
17.14%
Best Match:
CHEMBL471187

L: molecule_mod
NSP3_HCoV-229E

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

L: molecule
NSP3_HCoV-229E

Docking Scores:
-4.66
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NSP3_IBV

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

L: molecule
NSP3_IBV

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

L: molecule_mod
NSP3_MHV

Docking Scores:
-4.19
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NSP3_MHV

Docking Scores:
-3.77
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NSP3_SARS2

Docking Scores:
-4.13
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NSP3_SARS2

Docking Scores:
-3.74
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
NSP9_HCoV-229E

Docking Scores:
-4.80 -5.11
Similarity Score:
N/A
Best Match:
N/A

L: molecule
NSP9_HCoV-229E

Docking Scores:
-4.23 -4.61
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
PA_A-H17N10

Docking Scores:
-3.77
Similarity Score:
N/A
Best Match:
N/A

L: molecule
PA_A-H17N10

Docking Scores:
-3.26
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
PA_A-H1N1

Docking Scores:
-4.73 -4.96 -4.19
Similarity Score:
N/A
Best Match:
N/A

L: molecule
PA_A-H1N1

Docking Scores:
-4.19 -4.22 -3.72
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
PA_A-H5N1

Docking Scores:
-4.19 -4.13 -4.07
Similarity Score:
N/A
Best Match:
N/A

L: molecule
PA_A-H5N1

Docking Scores:
-3.76 -3.78 -3.75
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
PA_INFA

Docking Scores:
-5.80 -3.67 -4.01
Similarity Score:
19.67%
Best Match:
CHEMBL1829211

L: molecule
PA_INFA

Docking Scores:
-5.04 -3.19 -3.69
Similarity Score:
9.84%
Best Match:
CHEMBL1829211

L: molecule_mod
PA_INFB

Docking Scores:
-4.21
Similarity Score:
N/A
Best Match:
N/A

L: molecule
PA_INFB

Docking Scores:
-3.77
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
PB2_A-H3N2

Docking Scores:
-4.67 -4.96
Similarity Score:
N/A
Best Match:
N/A

L: molecule
PB2_A-H3N2

Docking Scores:
-4.21 -4.32
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
PB2_A-H5N1

Docking Scores:
-4.60 -4.51 -4.68
Similarity Score:
N/A
Best Match:
N/A

L: molecule
PB2_A-H5N1

Docking Scores:
-4.07 -4.03 -4.12
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
PB2_INFB

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

L: molecule
PB2_INFB

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

L: molecule_mod
PB3_A-H3N2

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

L: molecule
PB3_A-H3N2

Docking Scores:
-4.26
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
PB4_A-H3N2

Docking Scores:
-4.54
Similarity Score:
N/A
Best Match:
N/A

L: molecule
PB4_A-H3N2

Docking Scores:
-4.05
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
PLP_SARS

Docking Scores:
-5.46 -5.43 -5.53
Similarity Score:
12.63%
Best Match:
CHEMBL222735

L: molecule
PLP_SARS

Docking Scores:
-4.71 -4.68 -4.68
Similarity Score:
7.89%
Best Match:
CHEMBL212454

L: molecule_mod
PLP_SARS2

Docking Scores:
-3.95
Similarity Score:
N/A
Best Match:
N/A

L: molecule
PLP_SARS2

Docking Scores:
-3.56
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
PM_9VIRU

Docking Scores:
-5.13 -5.02
Similarity Score:
N/A
Best Match:
N/A

L: molecule
PM_9VIRU

Docking Scores:
-4.15 -3.72
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
PR_FCoV

Docking Scores:
-3.85
Similarity Score:
9.23%
Best Match:
CHEMBL4214471

L: molecule
PR_FCoV

Docking Scores:
-3.52
Similarity Score:
4.62%
Best Match:
CHEMBL4214471

L: molecule_mod
PR_HCoV-229E

Docking Scores:
-3.80 -3.58
Similarity Score:
N/A
Best Match:
N/A

L: molecule
PR_HCoV-229E

Docking Scores:
-3.34 -3.28
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
PR_HCoV-NL63

Docking Scores:
-3.47 -4.24
Similarity Score:
N/A
Best Match:
N/A

L: molecule
PR_HCoV-NL63

Docking Scores:
-3.22 -3.66
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
PR_HIV1

Docking Scores:
-3.80 -4.07 -4.12
Similarity Score:
8.51%
Best Match:
CHEMBL492666

L: molecule
PR_HIV1

Docking Scores:
-3.19 -3.59 -3.65
Similarity Score:
4.26%
Best Match:
CHEMBL492666

L: molecule_mod
PR_HIV2

Docking Scores:
-4.45 -3.56
Similarity Score:
N/A
Best Match:
N/A

L: molecule
PR_HIV2

Docking Scores:
-3.99 -3.33
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
PR_HKU1

Docking Scores:
-4.26
Similarity Score:
N/A
Best Match:
N/A

L: molecule
PR_HKU1

Docking Scores:
-3.14
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
PR_HKU4

Docking Scores:
-3.81 -4.37 -4.42
Similarity Score:
N/A
Best Match:
N/A

L: molecule
PR_HKU4

Docking Scores:
-3.28 -3.78 -3.78
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
PR_IBV

Docking Scores:
-3.96
Similarity Score:
N/A
Best Match:
N/A

L: molecule
PR_IBV

Docking Scores:
-3.32
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
PR_MERs

Docking Scores:
-4.18 -4.21
Similarity Score:
N/A
Best Match:
N/A

L: molecule
PR_MERs

Docking Scores:
-3.51 -3.58
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
PR_PEDV

Docking Scores:
-4.29
Similarity Score:
N/A
Best Match:
N/A

L: molecule
PR_PEDV

Docking Scores:
-3.67
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
PR_SARS

Docking Scores:
-3.59 -3.70 -3.89
Similarity Score:
14.63%
Best Match:
CHEMBL471187

L: molecule
PR_SARS

Docking Scores:
-3.06 -3.20 -3.45
Similarity Score:
17.14%
Best Match:
CHEMBL471187

L: molecule_mod
PR_SARS2

Docking Scores:
-3.55
Similarity Score:
N/A
Best Match:
N/A

L: molecule
PR_SARS2

Docking Scores:
-3.41
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
PR_TGEV

Docking Scores:
-3.95
Similarity Score:
N/A
Best Match:
N/A

L: molecule
PR_TGEV

Docking Scores:
-3.21
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
P_9CALI

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

L: molecule
P_9CALI

Docking Scores:
-4.32
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
P_NVN68

Docking Scores:
-3.55
Similarity Score:
N/A
Best Match:
N/A

L: molecule
P_NVN68

Docking Scores:
-3.12
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
RDRP_SARS2

Docking Scores:
-4.21
Similarity Score:
4.65%
Best Match:
CHEMBL4065616

L: molecule
RDRP_SARS2

Docking Scores:
-3.59
Similarity Score:
2.33%
Best Match:
CHEMBL4065616

L: molecule_mod
RT_HIV1

Docking Scores:
-5.74 -5.96 -6.03
Similarity Score:
15.19%
Best Match:
CHEMBL3775172

L: molecule
RT_HIV1

Docking Scores:
-4.91 -5.37 -5.51
Similarity Score:
7.59%
Best Match:
CHEMBL3775172

L: molecule_mod
SPIKE_HCoV-229E

Docking Scores:
-3.04
Similarity Score:
N/A
Best Match:
N/A

L: molecule
SPIKE_HCoV-229E

Docking Scores:
-2.70
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
SPIKE_HCoV-NL63

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

L: molecule
SPIKE_HCoV-NL63

Docking Scores:
-3.32
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
SPIKE_HCoV-OC43

Docking Scores:
-4.06
Similarity Score:
N/A
Best Match:
N/A

L: molecule
SPIKE_HCoV-OC43

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

L: molecule_mod
SPIKE_HKU4

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

L: molecule
SPIKE_HKU4

Docking Scores:
-3.60
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
SPIKE_IBV

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

L: molecule
SPIKE_IBV

Docking Scores:
-3.55
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
SPIKE_MERs

Docking Scores:
-3.81 -3.85 -3.47
Similarity Score:
N/A
Best Match:
N/A

L: molecule
SPIKE_MERs

Docking Scores:
-3.42 -3.41 -3.34
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
SPIKE_MHV

Docking Scores:
-3.77
Similarity Score:
N/A
Best Match:
N/A

L: molecule
SPIKE_MHV

Docking Scores:
-3.27
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
SPIKE_PDCoV

Docking Scores:
-3.99
Similarity Score:
N/A
Best Match:
N/A

L: molecule
SPIKE_PDCoV

Docking Scores:
-3.43
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
SPIKE_SARS

Docking Scores:
-3.49 -3.67
Similarity Score:
N/A
Best Match:
N/A

L: molecule
SPIKE_SARS

Docking Scores:
-3.16 -3.82
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
SPIKE_SARS2

Docking Scores:
-3.87 -3.97 -4.16
Similarity Score:
N/A
Best Match:
N/A

L: molecule
SPIKE_SARS2

Docking Scores:
-3.47 -3.10 -3.77
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
VP1_9CALI

Docking Scores:
-4.16
Similarity Score:
N/A
Best Match:
N/A

L: molecule
VP1_9CALI

Docking Scores:
-3.77
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
VP1_NVN68

Docking Scores:
-3.19
Similarity Score:
N/A
Best Match:
N/A

L: molecule
VP1_NVN68

Docking Scores:
-3.05
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
VP24_EBORE

Docking Scores:
-3.87
Similarity Score:
N/A
Best Match:
N/A

L: molecule
VP24_EBORE

Docking Scores:
-3.39
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
VP24_EBOSU

Docking Scores:
-3.77
Similarity Score:
N/A
Best Match:
N/A

L: molecule
VP24_EBOSU

Docking Scores:
-3.29
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
VP24_EBOZM

Docking Scores:
-3.59
Similarity Score:
N/A
Best Match:
N/A

L: molecule
VP24_EBOZM

Docking Scores:
-3.01
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
VP30_9MONO

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

L: molecule
VP30_9MONO

Docking Scores:
-3.17
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
VP30_EBOZ5

Docking Scores:
-4.37
Similarity Score:
N/A
Best Match:
N/A

L: molecule
VP30_EBOZ5

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

L: molecule_mod
VP30_EBOZM

Docking Scores:
-4.69
Similarity Score:
N/A
Best Match:
N/A

L: molecule
VP30_EBOZM

Docking Scores:
-3.99
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
VP35_EBORR

Docking Scores:
-4.06
Similarity Score:
N/A
Best Match:
N/A

L: molecule
VP35_EBORR

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

L: molecule_mod
VP35_EBOZM

Docking Scores:
-4.04 -4.29 -4.52
Similarity Score:
N/A
Best Match:
N/A

L: molecule
VP35_EBOZM

Docking Scores:
-3.43 -3.81 -4.08
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
VP40_EBOZM

Docking Scores:
-3.85 -3.82
Similarity Score:
N/A
Best Match:
N/A

L: molecule
VP40_EBOZM

Docking Scores:
-3.49 -3.45
Similarity Score:
N/A
Best Match:
N/A