Project M-ASB-S #313 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
ACE2_HUMAN angiotensin converting enzyme 2 -10.56 N/A N/A 45.05% CHEMBL400526
GP160_HIV1 Envelope glycoprotein gp160 -6.93 -6.82 -6.62 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -7.02 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -9.06 -7.25 -8.13 29.18% CHEMBL3125895
HA_A-H10N7 Hemagglutinin -7.65 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -6.80 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -7.22 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -7.60 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -7.30 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -6.11 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -5.50 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -7.03 -6.66 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -6.63 -6.18 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -6.82 -6.50 -6.84 N/A N/A
HA_A-H3N8 Hemagglutinin -6.67 -6.12 -6.21 N/A N/A
HA_A-H5N1 Hemagglutinin -6.78 -6.41 -6.75 N/A N/A
HA_A-H5N3 Hemagglutinin -6.68 -6.55 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -6.80 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -6.08 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -7.02 -6.32 -6.82 N/A N/A
HA_A-H7N7 Hemagglutinin -6.05 -6.91 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -7.35 N/A N/A N/A N/A
HA_INFB Hemagglutinin -6.95 -6.57 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -7.13 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.79 -6.68 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -6.57 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -7.37 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -6.43 -6.54 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -9.59 -9.27 -10.25 N/A N/A
MD_MERs Replicase polyprotein 1a -10.90 -10.04 N/A N/A N/A
MTASE_SARS2 Methyltransferase -6.17 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -7.52 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -0.31 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -7.47 -8.72 -8.23 N/A N/A
NA_A-H11N9 Neuraminidase -6.37 -8.35 -8.61 N/A N/A
NA_A-H12N5 Neuraminidase -8.12 -7.43 -7.31 N/A N/A
NA_A-H13N9 Neuraminidase -7.05 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -7.75 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -7.06 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 -8.40 -7.91 -7.54 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -7.29 -7.38 N/A N/A N/A
NA_A-H3N8 Neuraminidase -8.26 -8.44 -7.43 N/A N/A
NA_A-H5N1 Neuraminidase -8.32 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -8.35 -7.12 -7.94 N/A N/A
NA_INFB Neuraminidase -7.44 -7.21 N/A 31.58% CHEMBL113191
NP_A-H1N1 Nucleoprotein -6.98 -6.61 -6.82 N/A N/A
NP_A-H5N1 Nucleoprotein -6.74 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -6.91 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -8.46 -8.50 -7.87 15.08% CHEMBL3233481
NP_INFB Nucleoprotein -5.94 N/A N/A N/A N/A
NP_INFD NP -6.22 N/A N/A N/A N/A
NP_SARS Nucleoprotein -8.39 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -7.32 -6.33 -7.27 43.07% CHEMBL3981499
NS3_HCV1B Genome polyprotein -7.25 -7.41 -6.48 22.76% CHEMBL3927196
NS3_HCV3A Genome polyprotein -6.77 -6.58 -7.14 N/A N/A
NS5B_HCV1A Genome polyprotein -8.59 -9.72 -9.73 38.56% CHEMBL68034
NS5B_HCV1B Genome polyprotein -8.23 -8.96 -9.02 27.83% CHEMBL3645208
NS5B_HCV2A Genome polyprotein -8.82 -8.24 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -7.38 N/A N/A 44.78% CHEMBL2441741
NSP15_SARS2 Replicase polyprotein 1ab -7.07 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -7.50 -7.12 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -6.40 N/A N/A 44.78% CHEMBL2441741
NSP3_HCoV-229E Replicase polyprotein 1a -10.37 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -7.22 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -7.64 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -8.39 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -7.88 -7.02 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -8.31 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -9.23 -8.53 -8.55 N/A N/A
PA_A-H5N1 Polymerase acidic protein -8.99 -8.65 -8.86 N/A N/A
PA_INFA Polymerase acidic protein -8.87 -7.91 -8.82 46.96% CHEMBL2040554
PA_INFB Polymerase acidic protein -8.11 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -8.85 -8.47 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -8.94 -7.55 -8.34 N/A N/A
PB2_INFB Polymerase basic protein 2 -9.07 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -8.37 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -8.93 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -9.26 -9.46 -9.90 33.56% CHEMBL213054
PLP_SARS2 papain-like protease -7.58 N/A N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -7.59 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -7.91 -7.22 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -4.61 -8.07 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -7.19 -6.59 -6.84 28.73% CHEMBL3645129
PR_HIV2 Gag-Pol polyprotein -8.12 -6.98 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -6.96 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -7.83 -7.55 -7.98 N/A N/A
PR_IBV Replicase polyprotein 1a -7.08 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -6.17 -7.79 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 -6.71 -7.20 -6.89 44.78% CHEMBL2441741
PR_SARS2 3C-like protease -7.27 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -7.18 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -6.82 N/A N/A 15.70% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -8.48 -9.45 -9.05 41.67% CHEMBL4226544
SPIKE_HCoV-229E Spike glycoprotein -5.91 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -6.42 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -6.80 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -7.65 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -6.09 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -7.00 -6.14 -5.94 N/A N/A
SPIKE_MHV Spike glycoprotein -7.56 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -6.11 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -6.33 -7.03 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -7.00 -7.22 -7.32 N/A N/A