ZWJZWJ #248 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 -8.81 N/A N/A 18.79% CHEMBL254495
GP160_HIV1 Envelope glycoprotein gp160 -6.40 -6.15 -6.17 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -7.11 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -7.30 -7.20 -7.23 11.96% CHEMBL3125895
HA_A-H10N7 Hemagglutinin -7.25 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -6.59 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -6.71 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -7.46 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -8.01 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -6.47 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -6.14 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -7.02 -6.89 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -7.10 -6.28 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -6.92 -6.67 -6.80 N/A N/A
HA_A-H3N8 Hemagglutinin -6.61 -7.02 -6.30 N/A N/A
HA_A-H5N1 Hemagglutinin -7.04 -7.50 -7.38 N/A N/A
HA_A-H5N3 Hemagglutinin -7.36 -6.58 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -6.59 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -6.44 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -6.76 -6.05 -6.49 N/A N/A
HA_A-H7N7 Hemagglutinin -6.69 -6.97 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -6.60 N/A N/A N/A N/A
HA_INFB Hemagglutinin -6.96 -6.49 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.27 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.56 -6.18 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -5.84 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -6.13 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -5.69 -5.75 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -8.64 -9.40 -9.11 N/A N/A
MD_MERs Replicase polyprotein 1a -8.97 -9.15 N/A N/A N/A
MTASE_SARS2 Methyltransferase -6.71 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -8.17 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -9.66 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -8.73 -8.33 -8.08 N/A N/A
NA_A-H11N9 Neuraminidase -7.13 -8.28 -8.29 N/A N/A
NA_A-H12N5 Neuraminidase -7.86 -7.89 -8.03 N/A N/A
NA_A-H13N9 Neuraminidase -7.22 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -6.81 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -6.95 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -7.65 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -8.20 -7.37 -8.15 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -8.30 -7.07 N/A N/A N/A
NA_A-H3N8 Neuraminidase -7.32 -8.10 -8.17 N/A N/A
NA_A-H5N1 Neuraminidase -7.78 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -7.59 -7.85 -8.37 N/A N/A
NA_INFB Neuraminidase -8.44 -7.27 N/A 13.61% CHEMBL79499
NP_A-H1N1 Nucleoprotein -6.59 -8.06 -7.80 N/A N/A
NP_A-H5N1 Nucleoprotein -6.98 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -6.89 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -9.83 -7.69 -7.49 11.68% CHEMBL3233481
NP_INFB Nucleoprotein -5.47 N/A N/A N/A N/A
NP_INFD NP -5.40 N/A N/A N/A N/A
NP_SARS Nucleoprotein -7.30 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -7.84 -6.76 -7.68 27.35% CHEMBL3908585
NS3_HCV1B Genome polyprotein -8.10 -8.18 -6.31 13.73% CHEMBL297884
NS3_HCV3A Genome polyprotein -7.36 -7.33 -6.94 N/A N/A
NS5B_HCV1A Genome polyprotein -8.05 -8.69 -8.15 16.89% CHEMBL175894
NS5B_HCV1B Genome polyprotein -8.02 -7.94 -7.89 15.97% CHEMBL3645188
NS5B_HCV2A Genome polyprotein -8.52 -9.37 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -6.99 N/A N/A 14.12% CHEMBL2441741
NSP15_SARS2 Replicase polyprotein 1ab -7.49 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -6.66 -6.72 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -6.38 N/A N/A 14.12% CHEMBL2441741
NSP3_HCoV-229E Replicase polyprotein 1a -9.23 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -9.27 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -6.73 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -7.31 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -7.10 -5.76 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -7.70 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -7.65 -8.01 -8.23 N/A N/A
PA_A-H5N1 Polymerase acidic protein -8.80 -8.19 -8.29 N/A N/A
PA_INFA Polymerase acidic protein -8.63 -7.60 -7.92 21.21% CHEMBL3600948
PA_INFB Polymerase acidic protein -7.93 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -8.04 -8.57 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -8.01 -7.33 -8.39 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 -8.45 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -8.44 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -8.54 -8.22 -9.15 27.11% CHEMBL426898
PLP_SARS2 papain-like protease -6.97 N/A N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -8.33 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -7.80 -7.47 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -4.96 -7.78 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -7.27 -7.55 -7.11 13.53% CHEMBL510485
PR_HIV2 Gag-Pol polyprotein -7.64 -6.67 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -7.09 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -7.32 -7.61 -7.50 N/A N/A
PR_IBV Replicase polyprotein 1a -7.64 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -7.56 -7.70 N/A N/A N/A
PR_PEDV 3C-like proteinase -7.40 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -8.07 -7.46 -7.59 14.12% CHEMBL2441741
PR_SARS2 3C-like protease -7.51 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -7.41 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -6.26 N/A N/A 12.30% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -8.98 -8.99 -9.10 17.13% CHEMBL4288759
SPIKE_HCoV-229E Spike glycoprotein -5.26 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -6.00 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -6.70 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -8.16 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -6.56 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -7.27 -6.96 -5.66 N/A N/A
SPIKE_MHV Spike glycoprotein -6.78 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -6.45 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -6.79 -6.75 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -6.19 -5.97 -7.15 N/A N/A