Voxilaprevir #132 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 -8.36 -8.34 -8.99 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -8.56 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -9.06 -8.19 -7.66 38.81% CHEMBL3125895
HA_A-H10N7 Hemagglutinin -7.77 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -6.65 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -7.50 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -8.23 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -7.15 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -8.32 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -7.30 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -7.65 -8.00 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -8.84 -8.38 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -8.59 -8.46 -7.97 N/A N/A
HA_A-H3N8 Hemagglutinin -7.88 -6.82 -7.49 N/A N/A
HA_A-H5N1 Hemagglutinin -7.72 -6.53 -7.56 N/A N/A
HA_A-H5N3 Hemagglutinin -8.14 -8.05 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -6.65 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -7.65 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -6.21 -7.42 -6.16 N/A N/A
HA_A-H7N7 Hemagglutinin -7.65 -7.64 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -7.03 N/A N/A N/A N/A
HA_INFB Hemagglutinin -7.47 -7.25 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.44 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -8.27 -7.65 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -6.95 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -7.43 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -6.81 -6.35 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -7.46 -7.64 -7.76 N/A N/A
MD_MERs Replicase polyprotein 1a -8.02 -9.10 N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 ? N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -8.71 -8.83 -8.60 N/A N/A
NA_A-H11N9 Neuraminidase -7.06 -9.27 -9.08 N/A N/A
NA_A-H12N5 Neuraminidase -9.05 -8.66 -8.39 N/A N/A
NA_A-H13N9 Neuraminidase -7.87 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -9.25 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -8.58 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -10.04 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -10.34 -9.27 -9.49 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -9.55 -9.20 N/A N/A N/A
NA_A-H3N8 Neuraminidase -9.01 -9.62 -9.52 N/A N/A
NA_A-H5N1 Neuraminidase -9.50 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -9.34 -8.94 -8.67 N/A N/A
NA_INFB Neuraminidase -8.60 -9.11 N/A 30.54% CHEMBL362993
NP_A-H1N1 Nucleoprotein -6.24 -6.57 -7.09 N/A N/A
NP_A-H5N1 Nucleoprotein -7.15 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -8.10 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -9.09 -8.27 -8.05 13.99% CHEMBL3233481
NP_INFB Nucleoprotein -7.03 N/A N/A N/A N/A
NP_INFD NP -5.65 N/A N/A N/A N/A
NP_SARS Nucleoprotein -7.96 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -8.03 -7.72 -8.63 37.80% CHEMBL3645728
NS3_HCV1B Genome polyprotein -8.21 -8.18 -6.71 44.88% CHEMBL1170410
NS3_HCV3A Genome polyprotein -9.62 -9.76 -8.85 N/A N/A
NS5B_HCV1A Genome polyprotein -10.19 -9.75 -10.29 42.81% CHEMBL3644913
NS5B_HCV1B Genome polyprotein -9.37 -8.99 -8.72 32.96% CHEMBL3645182
NS5B_HCV2A Genome polyprotein -8.49 1.18 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -6.59 N/A N/A 28.52% CHEMBL2441745
NSP1_INFB Non-structural protein 1 -6.68 -7.57 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -5.93 N/A N/A 28.52% CHEMBL2441745
NSP3_HCoV-229E Replicase polyprotein 1a -7.44 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -8.58 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -6.75 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -6.25 -6.85 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -9.13 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -8.56 -10.49 -10.34 N/A N/A
PA_A-H5N1 Polymerase acidic protein -8.61 -9.58 -9.97 N/A N/A
PA_INFA Polymerase acidic protein -7.85 -7.36 -9.81 24.46% CHEMBL2040640
PA_INFB Polymerase acidic protein -8.20 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -8.87 -8.07 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -7.14 -7.92 -8.23 N/A N/A
PB2_INFB Polymerase basic protein 2 -8.45 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -8.33 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -8.91 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -9.17 -8.96 -8.75 31.08% CHEMBL213054
PR_FCoV Replicase polyprotein 1ab -8.74 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -7.37 -8.62 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -5.54 -8.78 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -7.42 -7.49 -9.10 33.33% CHEMBL494499
PR_HIV2 Gag-Pol polyprotein -8.66 -8.36 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -7.51 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -7.67 -8.57 -8.61 N/A N/A
PR_IBV Replicase polyprotein 1a -8.52 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -8.90 -8.29 N/A N/A N/A
PR_PEDV 3C-like proteinase -9.32 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -8.57 -6.55 -7.68 28.52% CHEMBL2441745
PR_SARS2 3C-like protease -8.52 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -8.19 N/A N/A N/A N/A
RT_HIV1 Gag-Pol polyprotein -8.70 -6.43 -3.94 39.53% CHEMBL3683705
SPIKE_HCoV-229E Spike glycoprotein -6.93 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -8.57 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -8.92 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -7.58 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -7.16 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -7.95 -8.18 -7.40 N/A N/A
SPIKE_MHV Spike glycoprotein -8.52 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -8.04 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -7.57 -7.47 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -7.13 N/A N/A N/A N/A