sar #359 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 -4.15 N/A N/A 7.84% CHEMBL401086
GP160_HIV1 Envelope glycoprotein gp160 -4.72 -4.63 -4.51 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -2.97 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -4.15 -4.19 -4.29 15.62% CHEMBL112570
HA_A-H10N7 Hemagglutinin -3.71 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -3.57 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -3.38 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -3.82 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -3.31 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -3.30 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -2.67 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -3.47 -3.41 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -2.78 -3.19 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -3.15 -3.00 -3.01 N/A N/A
HA_A-H3N8 Hemagglutinin -3.37 -3.15 -3.31 N/A N/A
HA_A-H5N1 Hemagglutinin -3.31 -3.64 -3.40 N/A N/A
HA_A-H5N3 Hemagglutinin -3.84 -3.44 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -3.57 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -3.52 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -3.57 -3.21 -3.37 N/A N/A
HA_A-H7N7 Hemagglutinin -3.43 -3.46 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -3.30 N/A N/A N/A N/A
HA_INFB Hemagglutinin -3.13 -3.15 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -3.92 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -4.28 -3.89 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -3.21 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -3.94 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -3.06 -3.14 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -4.52 -3.49 -4.23 N/A N/A
MD_MERs Replicase polyprotein 1a -4.50 -4.17 N/A N/A N/A
MTASE_SARS2 Methyltransferase -3.54 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -3.58 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -3.87 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -3.78 -3.72 -3.64 N/A N/A
NA_A-H11N9 Neuraminidase -3.27 -3.60 -4.09 N/A N/A
NA_A-H12N5 Neuraminidase -4.05 -3.74 -3.71 N/A N/A
NA_A-H13N9 Neuraminidase -3.25 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -3.19 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -3.06 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -4.32 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -3.72 -3.63 -3.45 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -3.09 -3.28 N/A N/A N/A
NA_A-H3N8 Neuraminidase -3.31 -4.15 -3.68 N/A N/A
NA_A-H5N1 Neuraminidase -4.28 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -4.09 -4.04 -3.89 N/A N/A
NA_INFB Neuraminidase -3.54 -3.67 N/A 9.52% CHEMBL335808
NP_A-H1N1 Nucleoprotein -4.03 -4.29 -3.95 N/A N/A
NP_A-H5N1 Nucleoprotein -4.15 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -2.82 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -4.01 -4.20 -4.19 1.45% CHEMBL3233481
NP_INFB Nucleoprotein -2.58 N/A N/A N/A N/A
NP_INFD NP -3.01 N/A N/A N/A N/A
NP_SARS Nucleoprotein -3.54 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -3.94 -3.55 -3.80 7.23% CHEMBL3645672
NS3_HCV1B Genome polyprotein -3.81 -3.85 -3.78 7.50% CHEMBL3921185
NS3_HCV3A Genome polyprotein -3.56 -3.48 -3.22 N/A N/A
NS5B_HCV1A Genome polyprotein -3.82 -4.56 -4.42 6.17% CHEMBL13443
NS5B_HCV1B Genome polyprotein -4.34 -4.43 -4.34 2.79% CHEMBL3645202
NS5B_HCV2A Genome polyprotein -4.63 -4.33 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -3.04 N/A N/A 8.06% CHEMBL1092796
NSP15_SARS2 Replicase polyprotein 1ab -3.30 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -3.60 -3.08 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -2.94 N/A N/A 8.06% CHEMBL1092796
NSP3_HCoV-229E Replicase polyprotein 1a -4.49 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -4.30 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -3.59 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -3.46 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -4.14 -4.38 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -3.15 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -4.00 -3.76 -3.31 N/A N/A
PA_A-H5N1 Polymerase acidic protein -3.23 -3.07 -3.14 N/A N/A
PA_INFA Polymerase acidic protein -4.46 -2.99 -3.53 5.62% CHEMBL2040554
PA_INFB Polymerase acidic protein -3.19 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -3.90 -4.27 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -3.78 -3.84 -3.83 N/A N/A
PB2_INFB Polymerase basic protein 2 -4.11 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -4.28 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -3.71 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -4.24 -4.13 -4.09 4.20% CHEMBL213054
PLP_SARS2 papain-like protease -3.46 N/A N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -3.34 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -3.03 -3.12 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -3.20 -3.44 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -3.19 -3.39 -3.54 3.52% CHEMBL492666
PR_HIV2 Gag-Pol polyprotein -3.89 -2.99 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -3.48 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -3.22 -3.61 -3.31 N/A N/A
PR_IBV Replicase polyprotein 1a -2.96 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -3.56 -3.36 N/A N/A N/A
PR_PEDV 3C-like proteinase -3.62 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -2.75 -3.19 -2.97 8.06% CHEMBL1092796
PR_SARS2 3C-like protease -3.52 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -3.61 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -3.44 N/A N/A 1.93% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -4.99 -5.09 -5.22 10.42% CHEMBL404519
SPIKE_HCoV-229E Spike glycoprotein -2.52 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -2.89 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -2.94 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -3.41 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -3.57 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -3.13 -3.45 -2.40 N/A N/A
SPIKE_MHV Spike glycoprotein -3.74 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -3.48 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -3.59 -2.65 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -3.36 -3.52 -3.92 N/A N/A