aseel2023 #539 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

2A_HE71

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

2A_HE71M

Docking Scores:
-8.05
Similarity Score:
N/A
Best Match:
N/A

2C_HE71

Docking Scores:
-6.76 -6.86
Similarity Score:
N/A
Best Match:
N/A

3A_9ENTO

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

3A_HE71M

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

3A_HED68

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

3C_HE71

Docking Scores:
-7.91 -6.81
Similarity Score:
N/A
Best Match:
N/A

3C_HED68

Docking Scores:
-7.66
Similarity Score:
N/A
Best Match:
N/A

3D_HE71

Docking Scores:
-10.06
Similarity Score:
N/A
Best Match:
N/A

3D_HED68

Docking Scores:
-9.90
Similarity Score:
N/A
Best Match:
N/A

ACE2_HUMAN

Docking Scores:
-10.93
Similarity Score:
29.57%
Best Match:
CHEMBL1240682

CAPSD_9CALI

Docking Scores:
-8.56 -8.64 -9.14
Similarity Score:
N/A
Best Match:
N/A

CAPSD_9ENTO

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

CAPSD_DEN2P

Docking Scores:
-9.25
Similarity Score:
N/A
Best Match:
N/A

CAPSD_HCV77

Docking Scores:
-5.83
Similarity Score:
33.99%
Best Match:
CHEMBL4110357

CAPSD_HED68

Docking Scores:
-9.32 -7.78
Similarity Score:
N/A
Best Match:
N/A

CAPSD_ZIKV

Docking Scores:
-7.69 -7.78
Similarity Score:
N/A
Best Match:
N/A

DPM_HHV1K

Docking Scores:
-11.57
Similarity Score:
24.81%
Best Match:
CHEMBL479371

E1_9HEPC

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

E1_HCV77

Docking Scores:
-5.36
Similarity Score:
33.99%
Best Match:
CHEMBL4110357

E1_HCVJ1

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

E2_9HEPC

Docking Scores:
-9.38
Similarity Score:
N/A
Best Match:
N/A

E2_HCV77

Docking Scores:
-7.88
Similarity Score:
33.99%
Best Match:
CHEMBL4110357

ENV_9FLAV

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

ENV_DEN1B

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

ENV_DEN2P

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

ENV_DEN3P

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

ENV_HHV2H

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

ENV_ZIKV

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

ENV_ZIKVK

Docking Scores:
-7.75
Similarity Score:
N/A
Best Match:
N/A

G1_ADNV

Docking Scores:
1.22 -7.92 -7.90
Similarity Score:
N/A
Best Match:
N/A

G2_ADNV

Docking Scores:
-9.30 -8.39 -8.10
Similarity Score:
N/A
Best Match:
N/A

GB_HHV11

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

GB_HHV1K

Docking Scores:
-8.30 -8.45
Similarity Score:
N/A
Best Match:
N/A

GD_9ALPH

Docking Scores:
-8.91 -6.14
Similarity Score:
N/A
Best Match:
N/A

GD_HHV1

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

GP160_HIV1

Docking Scores:
-7.88 -7.63 -7.88
Similarity Score:
N/A
Best Match:
N/A

GP160_HIV2

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

GP_EBOV

Docking Scores:
-7.86 -8.26 -8.50
Similarity Score:
32.27%
Best Match:
CHEMBL3125899

GP_LASSJ

Docking Scores:
-7.13 -6.83
Similarity Score:
N/A
Best Match:
N/A

HA_A-H10N7

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

HA_A-H10N8

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

HA_A-H13N6

Docking Scores:
-7.36
Similarity Score:
N/A
Best Match:
N/A

HA_A-H14N6

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

HA_A-H15N9

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

HA_A-H17N10

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

HA_A-H18N11

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

HA_A-H1N1

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

HA_A-H2N2

Docking Scores:
-7.78 -7.49
Similarity Score:
N/A
Best Match:
N/A

HA_A-H3N2

Docking Scores:
-7.70 -8.15 -7.60
Similarity Score:
N/A
Best Match:
N/A

HA_A-H3N8

Docking Scores:
-7.51 -6.98 -7.58
Similarity Score:
N/A
Best Match:
N/A

HA_A-H5N1

Docking Scores:
-7.56 -7.63 -7.22
Similarity Score:
N/A
Best Match:
N/A

HA_A-H5N3

Docking Scores:
-7.62 -7.01
Similarity Score:
N/A
Best Match:
N/A

HA_A-H6N1

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

HA_A-H6N6

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

HA_A-H7N2

Docking Scores:
-7.33 -7.33 -7.45
Similarity Score:
N/A
Best Match:
N/A

HA_A-H7N7

Docking Scores:
-7.10 -7.48
Similarity Score:
N/A
Best Match:
N/A

HA_A-H7N9

Docking Scores:
-9.00
Similarity Score:
N/A
Best Match:
N/A

HA_INFB

Docking Scores:
-8.26 -7.70
Similarity Score:
N/A
Best Match:
N/A

HA_INFD

Docking Scores:
-7.72
Similarity Score:
N/A
Best Match:
N/A

HE_BCV

Docking Scores:
-6.96 -7.37
Similarity Score:
N/A
Best Match:
N/A

HE_HCoV-OC43

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

HE_MHV

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

IN_HIV1

Docking Scores:
-7.65 -7.33
Similarity Score:
N/A
Best Match:
N/A

MD_HKU4

Docking Scores:
-7.78 -7.48 -7.23
Similarity Score:
N/A
Best Match:
N/A

MD_MERs

Docking Scores:
-7.89 -8.08
Similarity Score:
N/A
Best Match:
N/A

MEM_9FLAV

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

MTASE_SARS2

Docking Scores:
-7.66
Similarity Score:
N/A
Best Match:
N/A

MTASE_SARS2

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

MX2_A-H5N1

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

MX_9MONO

Docking Scores:
-9.67
Similarity Score:
N/A
Best Match:
N/A

MX_LASSJ

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

NA_A-H11N6

Docking Scores:
-8.28 -8.52 -8.21
Similarity Score:
N/A
Best Match:
N/A

NA_A-H11N9

Docking Scores:
-9.26 -8.72 -9.91
Similarity Score:
N/A
Best Match:
N/A

NA_A-H12N5

Docking Scores:
-9.29 -8.58 -8.50
Similarity Score:
N/A
Best Match:
N/A

NA_A-H13N9

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

NA_A-H17N10

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

NA_A-H18N11

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

NA_A-H1N1

Docking Scores:
-9.50
Similarity Score:
N/A
Best Match:
N/A

NA_A-H2N2

Docking Scores:
-8.50 -8.58 -8.23
Similarity Score:
N/A
Best Match:
N/A

NA_A-H3N2

Docking Scores:
-8.60 -8.60
Similarity Score:
N/A
Best Match:
N/A

NA_A-H3N8

Docking Scores:
-8.98 -9.32 -9.42
Similarity Score:
22.57%
Best Match:
CHEMBL4285767

NA_A-H5N1

Docking Scores:
-8.65
Similarity Score:
N/A
Best Match:
N/A

NA_A-H7N9

Docking Scores:
-9.59 -9.87 -9.59
Similarity Score:
N/A
Best Match:
N/A

NA_INFB

Docking Scores:
-8.55 -8.04
Similarity Score:
23.18%
Best Match:
CHEMBL4175983

NP_9ADNV

Docking Scores:
-6.42 -8.40
Similarity Score:
N/A
Best Match:
N/A

NP_A-H1N1

Docking Scores:
-7.82 -7.35 -7.31
Similarity Score:
N/A
Best Match:
N/A

NP_A-H5N1

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

NP_EBOZM

Docking Scores:
-7.98 -7.84 -9.28
Similarity Score:
N/A
Best Match:
N/A

NP_HCoV-NL63

Docking Scores:
-8.16
Similarity Score:
N/A
Best Match:
N/A

NP_HCoV-OC43

Docking Scores:
-9.19 -8.96 -8.21
Similarity Score:
14.77%
Best Match:
CHEMBL3233481

NP_INFB

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

NP_INFD

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

NP_LASSJ

Docking Scores:
-11.10 -11.11 -5.61
Similarity Score:
N/A
Best Match:
N/A

NP_SARS

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

NS1_9CALI

Docking Scores:
-7.53 -6.42 -7.64
Similarity Score:
N/A
Best Match:
N/A

NS1_9FLAV

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

NS1_DEN1W

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

NS1_ZIKV

Docking Scores:
24.95 -5.42 -8.52
Similarity Score:
N/A
Best Match:
N/A

NS2A_9FLAV

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

NS2B_DEN1W

Docking Scores:
-9.71
Similarity Score:
N/A
Best Match:
N/A

NS2B_DEN2P

Docking Scores:
-7.28 -8.67
Similarity Score:
N/A
Best Match:
N/A

NS2B_ZIKV

Docking Scores:
-8.43 -11.29
Similarity Score:
N/A
Best Match:
N/A

NS2B_ZIKVF

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

NS3_9FLAV

Docking Scores:
-10.07
Similarity Score:
N/A
Best Match:
N/A

NS3_DEN4T

Docking Scores:
-10.42 -9.46
Similarity Score:
N/A
Best Match:
N/A

NS3_HCV1A

Docking Scores:
-6.94 -7.45 -7.32
Similarity Score:
33.99%
Best Match:
CHEMBL4110357

NS3_HCV1B

Docking Scores:
-7.91 -7.65 -7.39
Similarity Score:
23.53%
Best Match:
CHEMBL1170417

NS3_HCV3A

Docking Scores:
-8.03 -7.73 -7.89
Similarity Score:
N/A
Best Match:
N/A

NS3_ZIKV

Docking Scores:
-9.77
Similarity Score:
N/A
Best Match:
N/A

NS5B_HCV1A

Docking Scores:
-10.49 -10.49 -10.46
Similarity Score:
36.02%
Best Match:
CHEMBL353549

NS5B_HCV1B

Docking Scores:
-9.18 -7.76 -7.88
Similarity Score:
31.73%
Best Match:
CHEMBL3970609

NS5B_HCV2A

Docking Scores:
-7.99 -5.82
Similarity Score:
22.07%
Best Match:
CHEMBL3127326

NS5_9FLAV

Docking Scores:
-9.32
Similarity Score:
N/A
Best Match:
N/A

NS5_DEN3S

Docking Scores:
-9.05 -9.29
Similarity Score:
N/A
Best Match:
N/A

NS5_ZIKV

Docking Scores:
-9.67 -6.07
Similarity Score:
N/A
Best Match:
N/A

NS5_ZIKVF

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

NS6_9CALI

Docking Scores:
-6.69 -6.19 -8.17
Similarity Score:
N/A
Best Match:
N/A

NSP15_SARS

Docking Scores:
-7.32
Similarity Score:
17.84%
Best Match:
CHEMBL2441741

NSP15_SARS2

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

NSP1_INFB

Docking Scores:
-7.59 -7.29
Similarity Score:
N/A
Best Match:
N/A

NSP1_SARS

Docking Scores:
-5.75
Similarity Score:
17.84%
Best Match:
CHEMBL2441741

NSP3_HCoV-229E

Docking Scores:
-8.47
Similarity Score:
N/A
Best Match:
N/A

NSP3_IBV

Docking Scores:
-7.71
Similarity Score:
N/A
Best Match:
N/A

NSP3_MHV

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

NSP3_SARS2

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

NSP9_HCoV-229E

Docking Scores:
-6.50 -7.35
Similarity Score:
N/A
Best Match:
N/A

PA_A-H17N10

Docking Scores:
-9.24
Similarity Score:
N/A
Best Match:
N/A

PA_A-H1N1

Docking Scores:
-9.84 -9.03 -10.10
Similarity Score:
N/A
Best Match:
N/A

PA_A-H5N1

Docking Scores:
-10.51 -9.67 -9.68
Similarity Score:
N/A
Best Match:
N/A

PA_INFA

Docking Scores:
-9.90 -8.45 -8.72
Similarity Score:
27.02%
Best Match:
CHEMBL4548583

PA_INFB

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

PB2_A-H3N2

Docking Scores:
-8.61 -8.50
Similarity Score:
N/A
Best Match:
N/A

PB2_A-H5N1

Docking Scores:
-7.67 -8.18 -9.14
Similarity Score:
N/A
Best Match:
N/A

PB2_INFB

Docking Scores:
-9.79
Similarity Score:
N/A
Best Match:
N/A

PB3_A-H3N2

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

PB4_A-H3N2

Docking Scores:
-9.11
Similarity Score:
N/A
Best Match:
N/A

PLP_SARS

Docking Scores:
-9.93 -10.09 -10.08
Similarity Score:
22.06%
Best Match:
CHEMBL225515

PLP_SARS2

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

PM_9VIRU

Docking Scores:
-8.65 -8.35
Similarity Score:
N/A
Best Match:
N/A

PR_FCoV

Docking Scores:
-8.39
Similarity Score:
17.03%
Best Match:
CHEMBL4214471

PR_HCoV-229E

Docking Scores:
-8.45 -7.99
Similarity Score:
N/A
Best Match:
N/A

PR_HCoV-NL63

Docking Scores:
-5.31 -8.82
Similarity Score:
N/A
Best Match:
N/A

PR_HIV1

Docking Scores:
-9.00 -8.11 -8.19
Similarity Score:
25.32%
Best Match:
CHEMBL3645127

PR_HIV2

Docking Scores:
-8.78 -8.60
Similarity Score:
N/A
Best Match:
N/A

PR_HKU1

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

PR_HKU4

Docking Scores:
-7.14 -7.61 -7.95
Similarity Score:
N/A
Best Match:
N/A

PR_IBV

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

PR_MERs

Docking Scores:
-7.94 -8.12
Similarity Score:
N/A
Best Match:
N/A

PR_PEDV

Docking Scores:
-8.83
Similarity Score:
N/A
Best Match:
N/A

PR_SARS

Docking Scores:
-7.92 -7.87 -7.80
Similarity Score:
17.84%
Best Match:
CHEMBL2441741

PR_SARS2

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

PR_TGEV

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

P_9CALI

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

P_NVN68

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

RDRP_SARS2

Docking Scores:
-7.81
Similarity Score:
29.84%
Best Match:
CHEMBL4065616

RT_HIV1

Docking Scores:
-9.93 -10.35 -9.36
Similarity Score:
34.03%
Best Match:
CHEMBL4227326

SPIKE_HCoV-229E

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

SPIKE_HCoV-NL63

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

SPIKE_HCoV-OC43

Docking Scores:
-8.17
Similarity Score:
N/A
Best Match:
N/A

SPIKE_HKU4

Docking Scores:
-8.59
Similarity Score:
N/A
Best Match:
N/A

SPIKE_IBV

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

SPIKE_MERs

Docking Scores:
-7.79 -8.19 -7.01
Similarity Score:
N/A
Best Match:
N/A

SPIKE_MHV

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

SPIKE_PDCoV

Docking Scores:
-7.54
Similarity Score:
N/A
Best Match:
N/A

SPIKE_SARS

Docking Scores:
-7.38 -8.63
Similarity Score:
N/A
Best Match:
N/A

SPIKE_SARS2

Docking Scores:
-7.34 -7.55 -8.06
Similarity Score:
N/A
Best Match:
N/A

VP1_9CALI

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

VP1_NVN68

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

VP24_EBORE

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

VP24_EBOSU

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

VP24_EBOZM

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

VP30_9MONO

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

VP30_EBOZ5

Docking Scores:
-7.54
Similarity Score:
N/A
Best Match:
N/A

VP30_EBOZM

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

VP35_EBORR

Docking Scores:
-8.01
Similarity Score:
N/A
Best Match:
N/A

VP35_EBOZM

Docking Scores:
-7.75 -7.94 -8.32
Similarity Score:
N/A
Best Match:
N/A

VP40_EBOZM

Docking Scores:
-6.49 -6.54
Similarity Score:
N/A
Best Match:
N/A