Danoprevir #99 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 -10.36 -10.40 -7.31 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -8.02 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -9.88 -8.65 -9.00 35.29% CHEMBL3125899
HA_A-H10N7 Hemagglutinin -8.25 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -8.24 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -6.66 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -8.56 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -8.12 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -7.19 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -7.28 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -7.94 -8.04 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -7.39 -8.24 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -7.99 -7.43 -7.45 N/A N/A
HA_A-H3N8 Hemagglutinin -7.67 -8.11 -8.17 N/A N/A
HA_A-H5N1 Hemagglutinin -7.33 -7.46 -8.04 N/A N/A
HA_A-H5N3 Hemagglutinin -7.67 -8.12 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -8.24 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -7.32 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -7.55 -7.65 -7.93 N/A N/A
HA_A-H7N7 Hemagglutinin -7.07 -8.41 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -7.35 N/A N/A N/A N/A
HA_INFB Hemagglutinin -7.64 -8.58 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -7.47 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -7.94 -7.74 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -7.54 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -8.32 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -6.69 -6.84 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -9.48 -8.90 -9.25 N/A N/A
MD_MERs Replicase polyprotein 1a -10.25 -10.14 N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 31.69 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -9.04 -8.70 -9.04 N/A N/A
NA_A-H11N9 Neuraminidase -8.47 -9.55 -9.84 N/A N/A
NA_A-H12N5 Neuraminidase -8.21 -8.88 -9.00 N/A N/A
NA_A-H13N9 Neuraminidase -7.99 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -7.82 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -8.85 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -9.83 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -10.31 -9.51 -10.45 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -10.01 -8.56 N/A N/A N/A
NA_A-H3N8 Neuraminidase -10.22 -9.85 -9.11 N/A N/A
NA_A-H5N1 Neuraminidase -9.64 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -9.64 -10.14 -10.11 N/A N/A
NA_INFB Neuraminidase -9.14 -9.00 N/A 46.34% CHEMBL254679
NP_A-H1N1 Nucleoprotein -7.31 -7.03 -7.92 N/A N/A
NP_A-H5N1 Nucleoprotein -7.55 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -8.32 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -10.57 -7.60 -7.86 12.71% CHEMBL3233481
NP_INFB Nucleoprotein -6.90 N/A N/A N/A N/A
NP_INFD NP -6.10 N/A N/A N/A N/A
NP_SARS Nucleoprotein -7.83 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -8.35 -7.84 -9.04 48.26% CHEMBL3645728
NS3_HCV1B Genome polyprotein -9.23 -8.63 -7.86 46.35% CHEMBL297884
NS3_HCV3A Genome polyprotein -8.63 -7.90 -8.51 N/A N/A
NS5B_HCV1A Genome polyprotein -11.24 -10.53 -10.68 59.47% CHEMBL3644875
NS5B_HCV1B Genome polyprotein -9.19 -8.10 -8.52 33.33% CHEMBL3645182
NS5B_HCV2A Genome polyprotein -10.55 -5.37 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab 21.91 N/A N/A 35.19% CHEMBL2441741
NSP1_INFB Non-structural protein 1 -7.54 -8.17 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -4.66 N/A N/A 35.19% CHEMBL2441741
NSP3_HCoV-229E Replicase polyprotein 1a -9.11 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -8.12 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -7.12 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -7.64 -6.87 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -8.71 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -10.31 -10.92 -10.34 N/A N/A
PA_A-H5N1 Polymerase acidic protein -10.23 -9.93 -9.95 N/A N/A
PA_INFA Polymerase acidic protein -10.07 -9.94 -10.34 34.68% CHEMBL2040640
PA_INFB Polymerase acidic protein -9.04 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -9.00 -8.96 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -8.92 -8.51 -8.44 N/A N/A
PB2_INFB Polymerase basic protein 2 -8.36 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -8.74 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -9.28 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -8.98 -8.72 -10.32 41.53% CHEMBL212080
PR_FCoV Replicase polyprotein 1ab -8.35 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -8.76 -8.99 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -5.25 -9.08 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -8.31 -8.62 -8.84 33.98% CHEMBL492666
PR_HIV2 Gag-Pol polyprotein -8.42 -8.46 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -7.59 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -6.87 -7.31 -7.56 N/A N/A
PR_IBV Replicase polyprotein 1a -8.53 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -7.75 -8.47 N/A N/A N/A
PR_PEDV 3C-like proteinase -8.17 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -8.36 -8.70 -9.84 35.19% CHEMBL2441741
PR_SARS2 3C-like protease -8.03 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -7.91 N/A N/A N/A N/A
RT_HIV1 Gag-Pol polyprotein -10.20 -8.87 -6.78 39.53% CHEMBL3683703
SPIKE_HCoV-229E Spike glycoprotein -5.84 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -7.18 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -8.88 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -8.31 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -7.15 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -8.88 -8.11 -7.08 N/A N/A
SPIKE_MHV Spike glycoprotein -8.01 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -7.78 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -7.43 -8.14 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -6.88 N/A N/A N/A N/A