wep #354 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 -10.62 N/A N/A 21.05% CHEMBL254900
GP160_HIV1 Envelope glycoprotein gp160 -7.35 -7.50 -7.78 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -7.45 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -7.61 -7.44 -7.36 35.14% CHEMBL112570
HA_A-H10N7 Hemagglutinin -8.18 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -7.60 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -7.35 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -8.12 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -7.78 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -6.99 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -6.23 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -7.93 -7.91 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -7.73 -7.66 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -7.86 -7.76 -7.53 N/A N/A
HA_A-H3N8 Hemagglutinin -7.71 -7.45 -7.13 N/A N/A
HA_A-H5N1 Hemagglutinin -7.63 -7.72 -8.47 N/A N/A
HA_A-H5N3 Hemagglutinin -7.98 -6.86 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -7.60 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -6.85 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -7.64 -7.03 -7.21 N/A N/A
HA_A-H7N7 Hemagglutinin -8.03 -7.75 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -8.26 N/A N/A N/A N/A
HA_INFB Hemagglutinin -7.93 -7.14 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -7.62 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -8.10 -7.86 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -7.67 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -7.58 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -6.94 -7.20 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -7.12 -6.94 -6.92 N/A N/A
MD_MERs Replicase polyprotein 1a -6.67 -8.28 N/A N/A N/A
MTASE_SARS2 Methyltransferase -7.11 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -8.16 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -0.64 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -7.36 -7.20 -7.98 N/A N/A
NA_A-H11N9 Neuraminidase -6.32 -8.03 -8.68 N/A N/A
NA_A-H12N5 Neuraminidase -7.86 -7.82 -7.37 N/A N/A
NA_A-H13N9 Neuraminidase -6.60 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -7.58 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -8.00 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -6.95 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -7.93 -7.63 -7.78 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -7.89 -7.53 N/A N/A N/A
NA_A-H3N8 Neuraminidase -7.99 -7.93 -8.18 N/A N/A
NA_A-H5N1 Neuraminidase -7.62 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -8.49 -6.75 -7.72 N/A N/A
NA_INFB Neuraminidase -7.34 -7.20 N/A 28.12% CHEMBL335808
NP_A-H1N1 Nucleoprotein -7.45 -6.21 -6.76 N/A N/A
NP_A-H5N1 Nucleoprotein -7.80 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -7.87 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -8.12 -7.65 -7.77 3.75% CHEMBL3233481
NP_INFB Nucleoprotein -6.16 N/A N/A N/A N/A
NP_INFD NP -6.45 N/A N/A N/A N/A
NP_SARS Nucleoprotein -8.69 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -7.59 -6.75 -6.74 25.00% CHEMBL296588
NS3_HCV1B Genome polyprotein -6.87 -6.47 -7.00 13.79% CHEMBL3921185
NS3_HCV3A Genome polyprotein -7.43 -7.99 -6.83 N/A N/A
NS5B_HCV1A Genome polyprotein -9.42 -10.08 -8.83 18.48% CHEMBL320324
NS5B_HCV1B Genome polyprotein -8.34 -7.44 -7.69 8.33% CHEMBL3645202
NS5B_HCV2A Genome polyprotein -7.72 -5.99 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -7.85 N/A N/A 17.65% CHEMBL1092796
NSP15_SARS2 Replicase polyprotein 1ab -7.86 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -7.52 -7.64 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -4.72 N/A N/A 17.65% CHEMBL1092796
NSP3_HCoV-229E Replicase polyprotein 1a -7.36 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -7.10 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -7.09 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -8.08 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -6.47 -6.26 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -8.95 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -8.24 -8.30 -8.87 N/A N/A
PA_A-H5N1 Polymerase acidic protein -10.05 -10.16 -10.12 N/A N/A
PA_INFA Polymerase acidic protein -8.93 -8.49 -9.01 13.83% CHEMBL2040554
PA_INFB Polymerase acidic protein -8.36 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -8.76 -9.19 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -7.77 -7.81 -9.17 N/A N/A
PB2_INFB Polymerase basic protein 2 -8.66 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -8.84 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -8.81 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -7.59 -7.70 -8.05 13.22% CHEMBL213054
PLP_SARS2 papain-like protease -6.81 N/A N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -8.49 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -7.57 -7.85 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -4.19 -8.51 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -8.38 -7.93 -7.71 8.84% CHEMBL492666
PR_HIV2 Gag-Pol polyprotein -8.71 -7.05 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -7.40 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -8.50 -7.29 -7.76 N/A N/A
PR_IBV Replicase polyprotein 1a -7.88 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -6.67 -8.24 N/A N/A N/A
PR_PEDV 3C-like proteinase -7.75 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -6.84 -6.66 -7.02 17.65% CHEMBL1092796
PR_SARS2 3C-like protease -7.09 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -7.61 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -7.40 N/A N/A 5.32% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -8.43 -8.07 -8.51 40.43% CHEMBL404519
SPIKE_HCoV-229E Spike glycoprotein -6.65 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -6.73 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -7.74 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -7.68 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -6.26 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -8.69 -6.92 -6.89 N/A N/A
SPIKE_MHV Spike glycoprotein -8.26 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -6.54 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -7.33 -7.82 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -6.70 -6.65 -6.66 N/A N/A