Test1 #124 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 -6.39 -6.94 -5.38 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -6.04 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -6.90 -6.64 -6.61 17.99% CHEMBL3125895
HA_A-H10N7 Hemagglutinin -6.15 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -5.94 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -6.37 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -6.67 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -6.26 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -5.49 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -5.19 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -6.13 -6.01 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -5.87 -6.27 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -5.97 -6.10 -5.92 N/A N/A
HA_A-H3N8 Hemagglutinin -5.99 -5.64 -5.60 N/A N/A
HA_A-H5N1 Hemagglutinin -6.61 -6.19 -6.42 N/A N/A
HA_A-H5N3 Hemagglutinin -6.94 -5.79 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -5.94 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -5.66 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -6.15 -5.91 -6.20 N/A N/A
HA_A-H7N7 Hemagglutinin -5.83 -6.21 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -6.05 N/A N/A N/A N/A
HA_INFB Hemagglutinin -6.25 -5.81 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -5.81 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.97 -5.75 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -5.72 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -5.70 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -5.28 -5.20 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -7.76 -7.93 -7.84 N/A N/A
MD_MERs Replicase polyprotein 1a -7.94 -7.32 N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -8.32 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -7.27 -7.19 -6.94 N/A N/A
NA_A-H11N9 Neuraminidase -7.11 -7.30 -7.04 N/A N/A
NA_A-H12N5 Neuraminidase -6.58 -7.33 -7.32 N/A N/A
NA_A-H13N9 Neuraminidase -6.24 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -6.60 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -6.33 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -6.98 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -6.58 -7.11 -6.63 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -6.53 -6.54 N/A N/A N/A
NA_A-H3N8 Neuraminidase -6.95 -7.40 -6.93 N/A N/A
NA_A-H5N1 Neuraminidase -6.69 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -6.75 -6.49 -6.87 N/A N/A
NA_INFB Neuraminidase -6.93 -6.71 N/A 19.78% CHEMBL348066
NP_A-H1N1 Nucleoprotein -6.35 -7.51 -6.42 N/A N/A
NP_A-H5N1 Nucleoprotein -6.57 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -5.98 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -8.58 -7.22 -7.39 14.55% CHEMBL3233481
NP_INFB Nucleoprotein -5.11 N/A N/A N/A N/A
NP_INFD NP -4.95 N/A N/A N/A N/A
NP_SARS Nucleoprotein -6.79 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -5.91 -5.98 -6.67 52.53% CHEMBL4107639
NS3_HCV1B Genome polyprotein -6.89 -6.57 -5.84 21.43% CHEMBL1170408
NS3_HCV3A Genome polyprotein -6.54 -6.12 -6.44 N/A N/A
NS5B_HCV1A Genome polyprotein -7.19 -7.12 -7.34 26.98% CHEMBL446360
NS5B_HCV1B Genome polyprotein -6.98 -7.12 -7.39 22.63% CHEMBL3645203
NS5B_HCV2A Genome polyprotein -7.39 -7.74 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -6.11 N/A N/A 19.05% CHEMBL2441741
NSP1_INFB Non-structural protein 1 -5.60 -5.63 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -6.25 N/A N/A 19.05% CHEMBL2441741
NSP3_HCoV-229E Replicase polyprotein 1a -8.37 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -8.10 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -6.27 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -6.40 -5.60 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -6.83 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -6.84 -6.87 -7.05 N/A N/A
PA_A-H5N1 Polymerase acidic protein -7.01 -6.94 -7.13 N/A N/A
PA_INFA Polymerase acidic protein -7.72 -6.64 -7.21 40.21% CHEMBL3600947
PA_INFB Polymerase acidic protein -6.96 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -7.18 -7.83 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -6.96 -7.35 -7.67 N/A N/A
PB2_INFB Polymerase basic protein 2 -7.29 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -7.65 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -7.78 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -7.82 -7.76 -8.05 34.65% CHEMBL358279
PR_FCoV Replicase polyprotein 1ab -6.64 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -6.80 -6.55 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -4.48 -6.86 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -6.52 -6.63 -6.53 18.02% CHEMBL492666
PR_HIV2 Gag-Pol polyprotein -7.13 -6.70 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -6.85 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -6.47 -7.02 -6.88 N/A N/A
PR_IBV Replicase polyprotein 1a -6.66 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -6.97 -6.80 N/A N/A N/A
PR_PEDV 3C-like proteinase -6.86 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -6.26 -6.71 -6.69 19.05% CHEMBL2441741
PR_SARS2 3C-like protease -6.67 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -6.13 N/A N/A N/A N/A
RT_HIV1 Gag-Pol polyprotein -8.16 -8.52 -8.64 28.21% CHEMBL4228598
SPIKE_HCoV-229E Spike glycoprotein -5.02 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -5.79 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -6.52 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -6.35 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -5.41 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -6.09 -6.00 -5.21 N/A N/A
SPIKE_MHV Spike glycoprotein -6.33 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -5.94 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -6.28 -6.61 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -5.40 N/A N/A N/A N/A