AAR #343 Output Download CSV

Gene Protein
 
  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 -1.73 N/A N/A 2.04% CHEMBL401086
GP160_HIV1 Envelope glycoprotein gp160 -1.69 -1.69 -1.83 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -2.11 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -1.54 -1.93 -1.86 3.23% CHEMBL112570
HA_A-H10N7 Hemagglutinin -1.74 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -1.85 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -1.54 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -1.33 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -1.54 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -1.12 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -1.28 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -1.63 -1.56 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -1.06 -1.17 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -1.02 -1.17 -1.58 N/A N/A
HA_A-H3N8 Hemagglutinin -1.70 -1.33 -1.61 N/A N/A
HA_A-H5N1 Hemagglutinin -1.38 -1.63 -1.39 N/A N/A
HA_A-H5N3 Hemagglutinin -1.69 -1.69 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -1.85 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -1.74 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -1.38 -1.54 -1.68 N/A N/A
HA_A-H7N7 Hemagglutinin -1.87 -1.70 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -1.69 N/A N/A N/A N/A
HA_INFB Hemagglutinin -1.28 -1.77 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -1.93 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -1.89 -1.40 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -1.52 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -2.01 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -1.60 -1.57 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -1.80 -1.24 -1.67 N/A N/A
MD_MERs Replicase polyprotein 1a -1.85 -1.77 N/A N/A N/A
MTASE_SARS2 Methyltransferase -1.56 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -1.48 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -1.50 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -1.48 -1.51 -1.50 N/A N/A
NA_A-H11N9 Neuraminidase -2.04 -1.82 -1.91 N/A N/A
NA_A-H12N5 Neuraminidase -1.91 -1.64 -1.79 N/A N/A
NA_A-H13N9 Neuraminidase -1.88 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -1.76 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -1.51 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -1.97 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -1.79 -1.67 -1.85 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -1.38 -1.76 N/A N/A N/A
NA_A-H3N8 Neuraminidase -1.44 -1.98 -1.66 N/A N/A
NA_A-H5N1 Neuraminidase -2.02 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -1.97 -1.90 -1.78 N/A N/A
NA_INFB Neuraminidase -1.52 -1.52 N/A 1.59% CHEMBL335808
NP_A-H1N1 Nucleoprotein -2.00 -1.61 -1.50 N/A N/A
NP_A-H5N1 Nucleoprotein -1.57 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -1.17 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -1.89 -1.92 -1.91 1.56% CHEMBL3233481
NP_INFB Nucleoprotein -1.11 N/A N/A N/A N/A
NP_INFD NP -1.32 N/A N/A N/A N/A
NP_SARS Nucleoprotein -2.19 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -1.75 -1.70 -1.50 1.47% CHEMBL4110799
NS3_HCV1B Genome polyprotein -1.75 -1.59 -1.31 1.25% CHEMBL3921185
NS3_HCV3A Genome polyprotein -1.53 -1.52 -1.49 N/A N/A
NS5B_HCV1A Genome polyprotein -1.81 -1.77 -1.97 1.25% CHEMBL13443
NS5B_HCV1B Genome polyprotein -1.61 -1.98 -1.58 0.58% CHEMBL3645203
NS5B_HCV2A Genome polyprotein -2.04 -2.08 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -1.34 N/A N/A 1.64% CHEMBL1092796
NSP15_SARS2 Replicase polyprotein 1ab -1.40 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -1.42 -1.51 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -1.51 N/A N/A 1.64% CHEMBL1092796
NSP3_HCoV-229E Replicase polyprotein 1a -1.73 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -1.86 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -1.61 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -1.64 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -1.76 -2.16 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -1.79 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -1.54 -1.78 -1.92 N/A N/A
PA_A-H5N1 Polymerase acidic protein -1.86 -1.93 -1.87 N/A N/A
PA_INFA Polymerase acidic protein -1.72 -1.45 -1.84 1.64% CHEMBL1829211
PA_INFB Polymerase acidic protein -1.55 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -1.86 -1.92 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -1.63 -1.73 -1.68 N/A N/A
PB2_INFB Polymerase basic protein 2 -1.57 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -1.88 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -1.17 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -1.78 -1.97 -1.67 1.32% CHEMBL212454
PLP_SARS2 papain-like protease -1.89 N/A N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -1.32 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -1.34 -1.35 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -1.38 -1.46 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -1.49 -1.36 -1.27 0.71% CHEMBL492666
PR_HIV2 Gag-Pol polyprotein -1.50 -1.31 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -1.24 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -1.43 -1.30 -1.54 N/A N/A
PR_IBV Replicase polyprotein 1a -1.64 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -1.32 -1.45 N/A N/A N/A
PR_PEDV 3C-like proteinase -1.45 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -1.23 -1.46 -1.16 1.64% CHEMBL1092796
PR_SARS2 3C-like protease -1.16 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -1.30 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -1.59 N/A N/A 0.39% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -2.05 -2.25 -2.37 2.13% CHEMBL404519
SPIKE_HCoV-229E Spike glycoprotein -1.08 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -1.15 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -1.62 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -1.53 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -1.47 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -1.17 -1.19 -1.15 N/A N/A
SPIKE_MHV Spike glycoprotein -1.23 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -1.47 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -1.23 -1.27 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -1.23 -1.11 -1.12 N/A N/A