Oseltamivir #98 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 -5.54 -5.45 -5.33 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -5.15 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -6.05 -5.93 -5.84 38.33% CHEMBL3125897
HA_A-H10N7 Hemagglutinin -5.51 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -5.40 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -4.58 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -5.01 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -5.33 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -4.96 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -4.77 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -5.99 -5.63 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -4.99 -5.02 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -5.41 -4.77 -5.15 N/A N/A
HA_A-H3N8 Hemagglutinin -5.08 -5.23 -5.34 N/A N/A
HA_A-H5N1 Hemagglutinin -5.60 -5.05 -5.70 N/A N/A
HA_A-H5N3 Hemagglutinin -5.13 -5.20 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -5.40 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -5.63 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -5.36 -4.98 -5.23 N/A N/A
HA_A-H7N7 Hemagglutinin -5.29 -5.09 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -5.85 N/A N/A N/A N/A
HA_INFB Hemagglutinin -5.41 -5.05 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -4.62 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.35 -5.36 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -4.83 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -5.41 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -4.52 -4.53 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -6.65 -6.43 -6.36 N/A N/A
MD_MERs Replicase polyprotein 1a -6.74 -6.32 N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -7.62 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -6.72 -6.44 -6.47 N/A N/A
NA_A-H11N9 Neuraminidase -5.92 -6.51 -6.50 N/A N/A
NA_A-H12N5 Neuraminidase -6.09 -6.78 -6.73 N/A N/A
NA_A-H13N9 Neuraminidase -5.29 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -5.64 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -5.23 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -6.22 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -6.42 -5.84 -6.09 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -5.78 -5.80 N/A N/A N/A
NA_A-H3N8 Neuraminidase -6.18 -6.26 -6.33 N/A N/A
NA_A-H5N1 Neuraminidase -6.17 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -6.29 -6.60 -6.48 N/A N/A
NA_INFB Neuraminidase -6.57 -5.88 N/A 100.00% CHEMBL1229
NP_A-H1N1 Nucleoprotein -5.34 -6.41 -5.49 N/A N/A
NP_A-H5N1 Nucleoprotein -5.77 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -5.43 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -6.37 -6.13 -6.04 8.75% CHEMBL3233481
NP_INFB Nucleoprotein -4.11 N/A N/A N/A N/A
NP_INFD NP -4.14 N/A N/A N/A N/A
NP_SARS Nucleoprotein -6.49 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -5.17 -5.10 -5.16 39.16% CHEMBL3645746
NS3_HCV1B Genome polyprotein -5.44 -5.43 -5.05 38.00% CHEMBL3927196
NS3_HCV3A Genome polyprotein -5.63 -5.35 -5.70 N/A N/A
NS5B_HCV1A Genome polyprotein -5.86 -6.56 -6.78 32.87% CHEMBL13443
NS5B_HCV1B Genome polyprotein -6.32 -6.66 -6.64 22.18% CHEMBL3645202
NS5B_HCV2A Genome polyprotein -7.46 -7.49 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -5.31 N/A N/A 25.41% CHEMBL2441745
NSP1_INFB Non-structural protein 1 -4.58 -4.65 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -5.05 N/A N/A 25.41% CHEMBL2441745
NSP3_HCoV-229E Replicase polyprotein 1a -7.36 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -6.65 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -4.59 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -5.56 -5.43 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -5.93 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -5.87 -6.03 -5.93 N/A N/A
PA_A-H5N1 Polymerase acidic protein -6.21 -6.14 -6.44 N/A N/A
PA_INFA Polymerase acidic protein -7.24 -6.19 -6.21 31.13% CHEMBL2040554
PA_INFB Polymerase acidic protein -5.92 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -6.23 -6.46 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -6.50 -5.64 -6.49 N/A N/A
PB2_INFB Polymerase basic protein 2 -6.25 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -6.66 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -6.11 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -6.18 -6.69 -6.44 42.31% CHEMBL212080
PR_FCoV Replicase polyprotein 1ab -5.52 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -5.54 -5.12 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -4.45 -5.90 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -5.26 -5.46 -5.57 24.40% CHEMBL494500
PR_HIV2 Gag-Pol polyprotein -5.92 -5.37 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -5.58 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -5.63 -5.64 -5.76 N/A N/A
PR_IBV Replicase polyprotein 1a -5.94 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -6.04 -6.05 N/A N/A N/A
PR_PEDV 3C-like proteinase -5.91 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -5.90 -5.83 -5.42 25.41% CHEMBL2441745
PR_SARS2 3C-like protease -5.94 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -5.78 N/A N/A N/A N/A
RT_HIV1 Gag-Pol polyprotein -8.44 -8.19 -8.31 34.78% CHEMBL4225865
SPIKE_HCoV-229E Spike glycoprotein -4.34 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -4.56 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -5.50 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -5.47 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -4.67 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -5.30 -4.99 -4.61 N/A N/A
SPIKE_MHV Spike glycoprotein -5.78 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -5.32 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -5.86 -5.42 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -4.57 N/A N/A N/A N/A