Project M-ASB-S #311 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 -6.75 N/A N/A 18.62% CHEMBL251804
GP160_HIV1 Envelope glycoprotein gp160 -6.61 -5.30 -5.43 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -5.75 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -5.91 -4.75 -4.74 17.43% CHEMBL3125897
HA_A-H10N7 Hemagglutinin -6.00 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -5.39 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -5.61 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -5.66 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -5.35 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -4.99 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -6.06 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -5.42 -5.41 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -5.28 -5.56 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -5.91 -4.94 -5.31 N/A N/A
HA_A-H3N8 Hemagglutinin -4.94 -5.05 -5.20 N/A N/A
HA_A-H5N1 Hemagglutinin -5.57 -5.72 -5.64 N/A N/A
HA_A-H5N3 Hemagglutinin -5.20 -5.72 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -5.39 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -5.65 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -5.06 -4.63 -5.04 N/A N/A
HA_A-H7N7 Hemagglutinin -4.88 -5.56 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -5.43 N/A N/A N/A N/A
HA_INFB Hemagglutinin -5.91 -5.49 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -4.84 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -5.69 -5.42 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -4.65 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -5.07 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -3.95 -3.93 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -6.08 -6.15 -6.23 N/A N/A
MD_MERs Replicase polyprotein 1a -6.21 -5.90 N/A N/A N/A
MTASE_SARS2 Methyltransferase -5.23 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -5.75 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -8.05 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -6.91 -6.57 -6.48 N/A N/A
NA_A-H11N9 Neuraminidase -5.87 -6.55 -6.53 N/A N/A
NA_A-H12N5 Neuraminidase -6.34 -7.14 -6.84 N/A N/A
NA_A-H13N9 Neuraminidase -6.21 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -5.77 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -5.49 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -6.59 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -6.79 -6.84 -6.06 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -5.61 -6.23 N/A N/A N/A
NA_A-H3N8 Neuraminidase -6.94 -6.70 -6.58 N/A N/A
NA_A-H5N1 Neuraminidase -6.75 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -6.43 -6.57 -6.38 N/A N/A
NA_INFB Neuraminidase -6.71 -6.95 N/A 28.75% CHEMBL183817
NP_A-H1N1 Nucleoprotein -5.40 -5.38 -6.28 N/A N/A
NP_A-H5N1 Nucleoprotein -5.81 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -5.96 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -6.22 -5.74 -5.97 9.70% CHEMBL3233481
NP_INFB Nucleoprotein -4.69 N/A N/A N/A N/A
NP_INFD NP -4.07 N/A N/A N/A N/A
NP_SARS Nucleoprotein -6.90 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -6.48 -6.38 -6.31 27.85% CHEMBL3696817
NS3_HCV1B Genome polyprotein -6.67 -6.34 -5.70 21.78% CHEMBL3954962
NS3_HCV3A Genome polyprotein -6.28 -5.98 -6.32 N/A N/A
NS5B_HCV1A Genome polyprotein -6.22 -6.65 -6.68 20.57% CHEMBL163917
NS5B_HCV1B Genome polyprotein -5.60 -6.16 -5.99 24.14% CHEMBL3645211
NS5B_HCV2A Genome polyprotein -6.57 -6.95 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -5.36 N/A N/A 16.75% CHEMBL2441741
NSP15_SARS2 Replicase polyprotein 1ab -6.06 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -4.70 -5.04 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -5.99 N/A N/A 16.75% CHEMBL2441741
NSP3_HCoV-229E Replicase polyprotein 1a -6.46 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -6.30 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -5.93 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -6.47 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -5.02 -5.36 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -5.86 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -6.01 -6.60 -6.11 N/A N/A
PA_A-H5N1 Polymerase acidic protein -6.35 -6.24 -6.07 N/A N/A
PA_INFA Polymerase acidic protein -6.22 -5.83 -6.29 20.64% CHEMBL2040569
PA_INFB Polymerase acidic protein -5.72 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -5.31 -5.89 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -6.04 -6.20 -6.49 N/A N/A
PB2_INFB Polymerase basic protein 2 -5.77 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -5.79 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -5.44 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -7.66 -7.94 -7.75 20.51% CHEMBL213054
PLP_SARS2 papain-like protease -6.41 N/A N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -5.64 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -5.56 -5.17 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -4.11 -6.39 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -4.69 -5.40 -5.37 25.46% CHEMBL3645128
PR_HIV2 Gag-Pol polyprotein -5.54 -5.19 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -6.04 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -5.41 -5.61 -5.47 N/A N/A
PR_IBV Replicase polyprotein 1a -5.93 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -5.46 -5.98 N/A N/A N/A
PR_PEDV 3C-like proteinase -5.25 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -5.71 -6.82 -5.54 16.75% CHEMBL2441741
PR_SARS2 3C-like protease -6.01 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -5.43 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -5.52 N/A N/A 20.97% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -6.57 -6.82 -6.70 20.63% CHEMBL4227119
SPIKE_HCoV-229E Spike glycoprotein -4.58 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 -5.66 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -6.79 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -5.20 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -6.31 -6.06 -4.97 N/A N/A
SPIKE_MHV Spike glycoprotein -5.63 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -5.44 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -4.85 -5.26 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -5.28 -5.05 -5.30 N/A N/A