Melatonin #162 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

Protein Symbol Approved Name Docking Scores Similarity
Score
Best Match
Model 1 Model 2 Model 3
GP160_HIV1 Envelope glycoprotein gp160 -5.99 -5.93 -6.10 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -5.61 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -6.60 -6.18 -6.50 34.07% CHEMBL3125895
HA_A-H10N7 Hemagglutinin -5.59 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -5.10 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -6.05 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -5.42 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -5.70 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -5.20 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -4.59 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -5.33 -5.26 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -5.24 -5.34 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -5.25 -5.02 -5.17 N/A N/A
HA_A-H3N8 Hemagglutinin -4.98 -5.30 -4.95 N/A N/A
HA_A-H5N1 Hemagglutinin -5.58 -5.95 -6.04 N/A N/A
HA_A-H5N3 Hemagglutinin -5.86 -5.42 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -5.10 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -5.18 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -5.47 -5.08 -5.36 N/A N/A
HA_A-H7N7 Hemagglutinin -5.69 -5.62 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -5.51 N/A N/A N/A N/A
HA_INFB Hemagglutinin -5.62 -5.10 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -5.51 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.10 -5.31 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -5.07 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -5.13 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -4.96 -4.91 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -7.28 -7.31 -7.31 N/A N/A
MD_MERs Replicase polyprotein 1a -7.28 -6.96 N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -7.42 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -6.54 -6.86 -6.60 N/A N/A
NA_A-H11N9 Neuraminidase -4.71 -6.36 -6.48 N/A N/A
NA_A-H12N5 Neuraminidase -6.60 -6.25 -6.26 N/A N/A
NA_A-H13N9 Neuraminidase -5.41 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -5.83 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -5.64 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -6.36 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -6.28 -5.77 -6.10 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -6.37 -5.49 N/A N/A N/A
NA_A-H3N8 Neuraminidase -6.50 -6.62 -6.68 N/A N/A
NA_A-H5N1 Neuraminidase -6.49 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -6.00 -6.16 -6.10 N/A N/A
NA_INFB Neuraminidase -6.28 -6.78 N/A 24.69% CHEMBL362993
NP_A-H1N1 Nucleoprotein -5.54 -7.34 -6.05 N/A N/A
NP_A-H5N1 Nucleoprotein -6.19 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -6.03 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -7.47 -6.46 -6.04 26.72% CHEMBL3233481
NP_INFB Nucleoprotein -4.13 N/A N/A N/A N/A
NP_INFD NP -4.86 N/A N/A N/A N/A
NP_SARS Nucleoprotein -6.41 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -6.10 -5.61 -6.69 38.89% CHEMBL3948676
NS3_HCV1B Genome polyprotein -6.41 -6.38 -5.11 31.39% CHEMBL1170408
NS3_HCV3A Genome polyprotein -6.48 -6.43 -5.95 N/A N/A
NS5B_HCV1A Genome polyprotein -6.46 -7.38 -7.18 35.97% CHEMBL363650
NS5B_HCV1B Genome polyprotein -6.43 -7.18 -6.59 31.88% CHEMBL3645180
NS5B_HCV2A Genome polyprotein -7.32 -7.59 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -5.66 N/A N/A 26.45% CHEMBL2441741
NSP1_INFB Non-structural protein 1 -5.57 -5.60 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -5.68 N/A N/A 26.45% CHEMBL2441741
NSP3_HCoV-229E Replicase polyprotein 1a -7.41 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -7.03 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -5.96 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -5.94 -5.67 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -6.29 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -6.25 -6.59 -6.21 N/A N/A
PA_A-H5N1 Polymerase acidic protein -6.77 -6.39 -6.51 N/A N/A
PA_INFA Polymerase acidic protein -7.18 -6.05 -6.28 30.77% CHEMBL573638
PA_INFB Polymerase acidic protein -6.21 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -6.39 -6.90 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -6.40 -6.53 -6.84 N/A N/A
PB2_INFB Polymerase basic protein 2 -6.88 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -6.87 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -7.18 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -7.15 -7.48 -7.69 34.27% CHEMBL358279
PR_FCoV Replicase polyprotein 1ab -5.99 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -5.97 -5.46 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -5.32 -6.01 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -5.83 -5.67 -6.13 28.00% CHEMBL492666
PR_HIV2 Gag-Pol polyprotein -6.36 -5.65 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -5.46 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -5.76 -6.07 -6.21 N/A N/A
PR_IBV Replicase polyprotein 1a -6.22 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -6.20 -6.50 N/A N/A N/A
PR_PEDV 3C-like proteinase -5.67 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -5.53 -6.14 -5.93 26.45% CHEMBL2441741
PR_SARS2 3C-like protease -6.10 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -6.12 N/A N/A N/A N/A
RT_HIV1 Gag-Pol polyprotein -8.20 -8.24 -8.19 30.52% CHEMBL4227326
SPIKE_HCoV-229E Spike glycoprotein -4.19 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -5.35 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -5.08 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -5.70 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -5.23 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -5.40 -5.33 -4.54 N/A N/A
SPIKE_MHV Spike glycoprotein -5.46 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -5.63 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -5.36 -5.61 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -5.35 N/A N/A N/A N/A