stat #232 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 -7.81 N/A N/A 7.81% CHEMBL401086
GP160_HIV1 Envelope glycoprotein gp160 -6.64 -6.97 -6.71 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -4.96 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -7.22 -7.25 -7.80 59.38% CHEMBL112570
HA_A-H10N7 Hemagglutinin -6.38 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -6.18 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -6.25 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -5.24 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -6.07 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -5.83 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -4.85 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -6.03 -5.48 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -5.86 -6.09 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -6.02 -5.04 -5.62 N/A N/A
HA_A-H3N8 Hemagglutinin -4.85 -5.12 -5.53 N/A N/A
HA_A-H5N1 Hemagglutinin -6.06 -5.89 -6.12 N/A N/A
HA_A-H5N3 Hemagglutinin -5.92 -5.20 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -6.18 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -5.36 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -5.71 -5.04 -4.95 N/A N/A
HA_A-H7N7 Hemagglutinin -5.64 -5.89 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -6.26 N/A N/A N/A N/A
HA_INFB Hemagglutinin -5.67 -5.88 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -5.99 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -7.23 -6.77 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -6.23 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -6.58 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -5.96 -5.45 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -8.21 -8.19 -8.29 N/A N/A
MD_MERs Replicase polyprotein 1a -8.26 -8.18 N/A N/A N/A
MTASE_SARS2 Methyltransferase -4.91 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -7.26 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -7.12 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -7.01 -5.67 -6.52 N/A N/A
NA_A-H11N9 Neuraminidase -5.11 -7.09 -6.57 N/A N/A
NA_A-H12N5 Neuraminidase -6.68 -6.11 -6.29 N/A N/A
NA_A-H13N9 Neuraminidase -4.07 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -6.17 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -7.04 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -6.66 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -6.75 -6.48 -6.11 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -6.00 -5.90 N/A N/A N/A
NA_A-H3N8 Neuraminidase -5.96 -6.83 -6.98 N/A N/A
NA_A-H5N1 Neuraminidase -6.98 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -6.57 -6.49 -6.54 N/A N/A
NA_INFB Neuraminidase -5.82 -6.46 N/A 20.48% CHEMBL370047
NP_A-H1N1 Nucleoprotein -5.86 -7.08 -5.90 N/A N/A
NP_A-H5N1 Nucleoprotein -5.97 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -5.15 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -8.83 -6.40 -6.29 1.20% CHEMBL3233481
NP_INFB Nucleoprotein -4.55 N/A N/A N/A N/A
NP_INFD NP -4.59 N/A N/A N/A N/A
NP_SARS Nucleoprotein -6.30 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -7.07 -5.95 -6.89 13.59% CHEMBL4113277
NS3_HCV1B Genome polyprotein -7.14 -7.96 -5.81 17.00% CHEMBL3927196
NS3_HCV3A Genome polyprotein -6.14 -6.13 -5.83 N/A N/A
NS5B_HCV1A Genome polyprotein -7.22 -8.24 -8.24 15.75% CHEMBL3659510
NS5B_HCV1B Genome polyprotein -8.46 -7.47 -7.24 5.48% CHEMBL3645197
NS5B_HCV2A Genome polyprotein -9.01 -8.70 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -5.82 N/A N/A 28.57% CHEMBL1092796
NSP15_SARS2 Replicase polyprotein 1ab -6.46 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -5.71 -5.25 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -5.42 N/A N/A 28.57% CHEMBL1092796
NSP3_HCoV-229E Replicase polyprotein 1a -7.81 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 -6.26 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -8.00 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -7.09 -5.68 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -6.20 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -6.70 -6.42 -6.70 N/A N/A
PA_A-H5N1 Polymerase acidic protein -7.38 -7.01 -7.29 N/A N/A
PA_INFA Polymerase acidic protein -7.47 -6.98 -6.12 16.13% CHEMBL2040554
PA_INFB Polymerase acidic protein -6.57 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -7.10 -7.01 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -7.26 -7.18 -7.24 N/A N/A
PB2_INFB Polymerase basic protein 2 -7.27 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -6.87 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -7.33 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -8.16 -8.79 -8.45 11.28% CHEMBL213543
PLP_SARS2 papain-like protease -5.37 N/A N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -6.46 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -6.28 -6.09 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -4.54 -6.81 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -5.90 -6.62 -6.26 3.87% CHEMBL492666
PR_HIV2 Gag-Pol polyprotein -7.12 -6.33 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -6.15 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -6.76 -6.34 -6.64 N/A N/A
PR_IBV Replicase polyprotein 1a -6.20 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -6.25 -7.04 N/A N/A N/A
PR_PEDV 3C-like proteinase -6.56 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -5.72 -6.23 -5.72 28.57% CHEMBL1092796
PR_SARS2 3C-like protease -5.98 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -7.00 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -5.41 N/A N/A 2.58% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -10.66 -9.26 -9.27 24.07% CHEMBL404519
SPIKE_HCoV-229E Spike glycoprotein -4.41 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -5.83 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -6.07 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -6.36 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -6.67 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -6.09 -5.47 -4.89 N/A N/A
SPIKE_MHV Spike glycoprotein -5.49 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -5.33 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -5.30 -5.74 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -4.58 -5.42 -5.82 N/A N/A