5-2-9 #164 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 -8.12 -7.84 -8.20 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -7.28 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -7.71 -7.98 -8.07 18.53% CHEMBL3125895
HA_A-H10N7 Hemagglutinin -6.34 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 -5.33 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -7.49 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -5.88 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -5.36 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -5.62 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -7.24 -6.86 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -6.18 -5.86 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -6.41 -6.52 -6.23 N/A N/A
HA_A-H3N8 Hemagglutinin -5.49 -5.32 -5.43 N/A N/A
HA_A-H5N1 Hemagglutinin -6.09 -6.71 -5.47 N/A N/A
HA_A-H5N3 Hemagglutinin -6.57 -6.47 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -5.94 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -5.61 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -5.45 -6.90 -5.69 N/A N/A
HA_A-H7N7 Hemagglutinin -4.93 -6.37 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -6.53 N/A N/A N/A N/A
HA_INFB Hemagglutinin -6.56 -5.46 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.56 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.66 -6.03 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -6.00 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -6.91 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -6.37 -6.81 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -9.67 -9.25 -9.44 N/A N/A
MD_MERs Replicase polyprotein 1a -9.79 -9.43 N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -2.32 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -7.03 -6.57 -6.55 N/A N/A
NA_A-H11N9 Neuraminidase -6.04 -7.63 -7.85 N/A N/A
NA_A-H12N5 Neuraminidase -7.99 -6.59 -7.81 N/A N/A
NA_A-H13N9 Neuraminidase -7.19 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -7.25 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -6.32 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -8.38 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -6.70 -8.04 -7.96 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -6.36 -6.69 N/A N/A N/A
NA_A-H3N8 Neuraminidase -7.75 -7.69 -7.53 N/A N/A
NA_A-H5N1 Neuraminidase -7.81 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -7.38 -7.93 -7.72 N/A N/A
NA_INFB Neuraminidase -6.51 -6.72 N/A 24.73% CHEMBL4161935
NP_A-H1N1 Nucleoprotein -6.33 -6.92 -7.39 N/A N/A
NP_A-H5N1 Nucleoprotein -6.38 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -6.05 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -8.75 -6.92 -6.80 21.77% CHEMBL3233481
NP_INFB Nucleoprotein -4.60 N/A N/A N/A N/A
NP_INFD NP -4.91 N/A N/A N/A N/A
NP_SARS Nucleoprotein -7.11 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -8.29 -5.70 -7.40 39.61% CHEMBL4115040
NS3_HCV1B Genome polyprotein -8.02 -9.18 -5.31 22.73% CHEMBL1170408
NS3_HCV3A Genome polyprotein -5.85 -5.31 -6.75 N/A N/A
NS5B_HCV1A Genome polyprotein -7.13 -10.58 -10.58 24.34% CHEMBL3644920
NS5B_HCV1B Genome polyprotein -8.95 -8.93 -8.14 30.39% CHEMBL3645194
NS5B_HCV2A Genome polyprotein -10.20 -9.11 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -6.09 N/A N/A 27.97% CHEMBL221366
NSP1_INFB Non-structural protein 1 -6.09 -5.83 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -5.74 N/A N/A 27.97% CHEMBL221366
NSP3_HCoV-229E Replicase polyprotein 1a -9.78 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -8.84 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -6.42 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -6.52 -5.74 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -6.72 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -7.04 -7.60 -8.61 N/A N/A
PA_A-H5N1 Polymerase acidic protein -8.24 -6.83 -8.35 N/A N/A
PA_INFA Polymerase acidic protein -9.07 -7.64 -7.22 31.67% CHEMBL3600948
PA_INFB Polymerase acidic protein -6.39 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -7.48 -7.90 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -8.72 -7.12 -8.41 N/A N/A
PB2_INFB Polymerase basic protein 2 -7.28 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -8.07 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -7.47 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -9.99 -10.20 -8.61 41.09% CHEMBL222735
PR_FCoV Replicase polyprotein 1ab -6.08 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -6.42 -7.46 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -4.76 -6.13 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -6.10 -5.97 -7.01 17.09% CHEMBL510485
PR_HIV2 Gag-Pol polyprotein -6.54 -6.90 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -5.53 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -6.09 -7.80 -6.88 N/A N/A
PR_IBV Replicase polyprotein 1a -8.20 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -6.72 -6.27 N/A N/A N/A
PR_PEDV 3C-like proteinase -7.77 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -6.17 -7.02 -7.63 27.97% CHEMBL221366
PR_SARS2 3C-like protease -6.37 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -8.13 N/A N/A N/A N/A
RT_HIV1 Gag-Pol polyprotein -10.64 -9.85 -8.48 26.11% CHEMBL4291913
SPIKE_HCoV-229E Spike glycoprotein -5.43 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -6.15 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -5.49 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -7.33 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -6.46 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -6.72 -6.43 -6.78 N/A N/A
SPIKE_MHV Spike glycoprotein -6.26 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -6.15 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -5.98 -5.63 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -5.34 N/A N/A N/A N/A