test #305 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 -2.60 N/A N/A 4.08% CHEMBL401086
GP160_HIV1 Envelope glycoprotein gp160 -2.80 -2.55 -2.59 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -2.03 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -2.39 -2.14 -2.25 1.44% CHEMBL3125897
HA_A-H10N7 Hemagglutinin -1.98 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -2.25 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -2.43 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -2.43 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -1.95 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -2.02 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -2.46 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -1.99 -2.10 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -2.25 -2.04 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -1.97 -2.17 -2.07 N/A N/A
HA_A-H3N8 Hemagglutinin -2.41 -2.12 -1.81 N/A N/A
HA_A-H5N1 Hemagglutinin -2.39 -2.31 -2.11 N/A N/A
HA_A-H5N3 Hemagglutinin -2.43 -2.32 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -2.25 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -1.96 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -1.93 -2.15 -2.08 N/A N/A
HA_A-H7N7 Hemagglutinin -2.00 -2.24 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -2.03 N/A N/A N/A N/A
HA_INFB Hemagglutinin -2.09 -2.53 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -2.04 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -2.85 -2.63 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -2.10 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -2.15 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -1.73 -1.59 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -2.52 -2.55 -2.58 N/A N/A
MD_MERs Replicase polyprotein 1a -2.40 -2.42 N/A N/A N/A
MTASE_SARS2 Methyltransferase -2.32 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -2.51 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -2.69 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -2.47 -2.40 -2.48 N/A N/A
NA_A-H11N9 Neuraminidase -2.02 -2.44 -2.48 N/A N/A
NA_A-H12N5 Neuraminidase -2.26 -2.44 -2.49 N/A N/A
NA_A-H13N9 Neuraminidase -2.38 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -2.19 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -2.01 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -2.33 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -2.35 -2.41 -2.49 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -1.94 -2.57 N/A N/A N/A
NA_A-H3N8 Neuraminidase -2.30 -2.52 -2.37 N/A N/A
NA_A-H5N1 Neuraminidase -2.53 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -2.39 -2.46 -2.49 N/A N/A
NA_INFB Neuraminidase -2.32 -2.35 N/A 1.60% CHEMBL373336
NP_A-H1N1 Nucleoprotein -2.11 -2.54 -2.58 N/A N/A
NP_A-H5N1 Nucleoprotein -2.24 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -2.03 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -2.23 -2.37 -2.45 1.54% CHEMBL3233481
NP_INFB Nucleoprotein -2.11 N/A N/A N/A N/A
NP_INFD NP -1.76 N/A N/A N/A N/A
NP_SARS Nucleoprotein -2.39 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -2.64 -2.13 -1.97 2.41% CHEMBL3645672
NS3_HCV1B Genome polyprotein -2.73 -2.09 -2.61 1.23% CHEMBL3921185
NS3_HCV3A Genome polyprotein -2.44 -2.55 -2.40 N/A N/A
NS5B_HCV1A Genome polyprotein -2.62 -2.45 -2.32 1.35% CHEMBL435857
NS5B_HCV1B Genome polyprotein -2.14 -2.37 -2.24 1.17% CHEMBL3645203
NS5B_HCV2A Genome polyprotein -2.71 -2.63 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -2.43 N/A N/A 1.67% CHEMBL3105073
NSP15_SARS2 Replicase polyprotein 1ab -2.30 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -1.84 -2.08 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -2.11 N/A N/A 1.67% CHEMBL3105073
NSP3_HCoV-229E Replicase polyprotein 1a -2.56 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -2.65 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -2.56 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -2.56 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -1.88 -2.35 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -2.45 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -2.50 -2.26 -2.17 N/A N/A
PA_A-H5N1 Polymerase acidic protein -2.65 -2.51 -2.52 N/A N/A
PA_INFA Polymerase acidic protein -2.54 -2.13 -2.54 2.00% CHEMBL278402
PA_INFB Polymerase acidic protein -2.65 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -2.14 -2.32 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -2.38 -2.17 -2.28 N/A N/A
PB2_INFB Polymerase basic protein 2 -2.30 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -2.36 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -2.10 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -2.70 -2.88 -2.78 1.72% CHEMBL212218
PLP_SARS2 papain-like protease -2.30 N/A N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -2.23 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -2.20 -2.22 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -1.62 -2.29 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -1.96 -2.07 -2.11 1.42% CHEMBL492666
PR_HIV2 Gag-Pol polyprotein -1.92 -1.95 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -2.31 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -2.00 -2.01 -2.00 N/A N/A
PR_IBV Replicase polyprotein 1a -1.91 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -2.14 -2.11 N/A N/A N/A
PR_PEDV 3C-like proteinase -2.21 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -1.86 -2.08 -2.00 1.67% CHEMBL3105073
PR_SARS2 3C-like protease -2.39 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -2.10 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -2.49 N/A N/A 0.39% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -2.45 -2.39 -2.42 1.80% CHEMBL4225441
SPIKE_HCoV-229E Spike glycoprotein -1.38 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -1.77 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -2.27 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -2.10 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -2.02 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -2.26 -1.71 -1.72 N/A N/A
SPIKE_MHV Spike glycoprotein -1.87 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -2.14 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -1.91 -2.34 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -1.90 -1.60 -2.11 N/A N/A