2-17 #165 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 -8.19 -8.31 -8.09 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -7.37 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -7.61 -8.61 -8.43 19.38% CHEMBL3125895
HA_A-H10N7 Hemagglutinin -6.72 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -6.39 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -5.73 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -7.26 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -6.83 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -6.99 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -5.37 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -5.99 -6.18 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -5.93 -6.26 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -6.93 -6.67 -6.00 N/A N/A
HA_A-H3N8 Hemagglutinin -5.90 -5.67 -7.16 N/A N/A
HA_A-H5N1 Hemagglutinin -5.81 -6.51 -6.62 N/A N/A
HA_A-H5N3 Hemagglutinin -6.19 -6.67 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -6.39 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -6.41 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -5.44 -5.52 -5.30 N/A N/A
HA_A-H7N7 Hemagglutinin -5.56 -6.18 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -6.67 N/A N/A N/A N/A
HA_INFB Hemagglutinin -6.78 -6.31 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.51 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.30 -6.83 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -5.69 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -6.28 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -5.87 -5.85 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -8.57 -8.17 -9.58 N/A N/A
MD_MERs Replicase polyprotein 1a -9.20 -9.01 N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -5.47 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -7.59 -7.28 -7.49 N/A N/A
NA_A-H11N9 Neuraminidase -7.63 -7.79 -7.81 N/A N/A
NA_A-H12N5 Neuraminidase -6.94 -7.77 -7.20 N/A N/A
NA_A-H13N9 Neuraminidase -7.14 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -6.85 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -7.00 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -7.87 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -7.45 -7.54 -7.33 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -7.50 -7.35 N/A N/A N/A
NA_A-H3N8 Neuraminidase -7.70 -8.10 -7.44 N/A N/A
NA_A-H5N1 Neuraminidase -7.67 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -7.34 -7.45 -7.56 N/A N/A
NA_INFB Neuraminidase -6.76 -6.98 N/A 24.08% CHEMBL4175983
NP_A-H1N1 Nucleoprotein -5.47 -8.53 -6.30 N/A N/A
NP_A-H5N1 Nucleoprotein -6.24 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -6.45 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -8.51 -7.85 -7.24 11.76% CHEMBL3233481
NP_INFB Nucleoprotein -5.16 N/A N/A N/A N/A
NP_INFD NP -5.56 N/A N/A N/A N/A
NP_SARS Nucleoprotein -6.70 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -5.67 -5.89 -8.24 37.50% CHEMBL3906915
NS3_HCV1B Genome polyprotein -8.43 -9.00 -6.25 22.13% CHEMBL1170408
NS3_HCV3A Genome polyprotein -6.84 -6.30 -6.23 N/A N/A
NS5B_HCV1A Genome polyprotein -7.78 -9.41 -9.72 22.01% CHEMBL363650
NS5B_HCV1B Genome polyprotein -8.00 -8.27 -8.22 29.00% CHEMBL3645182
NS5B_HCV2A Genome polyprotein -9.85 -9.75 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -6.27 N/A N/A 23.49% CHEMBL221366
NSP1_INFB Non-structural protein 1 -6.33 -5.77 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -6.62 N/A N/A 23.49% CHEMBL221366
NSP3_HCoV-229E Replicase polyprotein 1a -9.16 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -8.92 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -7.10 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -6.31 -5.94 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -6.30 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -8.63 -7.63 -8.52 N/A N/A
PA_A-H5N1 Polymerase acidic protein -7.28 -7.27 -7.79 N/A N/A
PA_INFA Polymerase acidic protein -8.96 -7.50 -6.65 30.65% CHEMBL3600947
PA_INFB Polymerase acidic protein -6.60 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -8.64 -8.07 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -7.29 -7.25 -8.09 N/A N/A
PB2_INFB Polymerase basic protein 2 -7.81 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -8.27 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -7.49 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -9.37 -8.76 -9.32 30.71% CHEMBL222735
PR_FCoV Replicase polyprotein 1ab -6.93 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -7.50 -7.36 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -4.69 -7.74 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -6.56 -6.74 -6.94 25.00% CHEMBL450294
PR_HIV2 Gag-Pol polyprotein -7.06 -6.28 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -7.65 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -6.52 -7.96 -7.43 N/A N/A
PR_IBV Replicase polyprotein 1a -7.41 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -7.83 -7.09 N/A N/A N/A
PR_PEDV 3C-like proteinase -7.89 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -7.43 -7.40 -7.42 23.49% CHEMBL221366
PR_SARS2 3C-like protease -7.26 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -7.61 N/A N/A N/A N/A
RT_HIV1 Gag-Pol polyprotein -9.98 -10.12 -9.58 32.17% CHEMBL4225614
SPIKE_HCoV-229E Spike glycoprotein -5.57 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -6.67 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -6.40 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -6.95 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -6.11 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -6.80 -5.96 -5.33 N/A N/A
SPIKE_MHV Spike glycoprotein -5.78 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -6.01 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -5.94 -5.82 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -5.81 N/A N/A N/A N/A