Aspirin test #307 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 -6.42 N/A N/A 29.69% CHEMBL254493
GP160_HIV1 Envelope glycoprotein gp160 -6.28 -5.12 -5.67 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -5.68 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -5.33 -5.46 -5.38 14.23% CHEMBL3125895
HA_A-H10N7 Hemagglutinin -5.46 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -5.03 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -5.43 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -5.03 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -5.57 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -4.35 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -4.42 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -5.13 -5.03 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -4.88 -5.11 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -5.06 -5.13 -4.94 N/A N/A
HA_A-H3N8 Hemagglutinin -4.44 -4.74 -4.76 N/A N/A
HA_A-H5N1 Hemagglutinin -5.28 -5.59 -6.02 N/A N/A
HA_A-H5N3 Hemagglutinin -5.38 -5.14 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -5.03 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -5.23 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -5.00 -4.62 -5.23 N/A N/A
HA_A-H7N7 Hemagglutinin -4.88 -5.18 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -5.32 N/A N/A N/A N/A
HA_INFB Hemagglutinin -5.17 -5.15 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -4.27 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.58 -5.28 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -4.63 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -4.68 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -4.15 -4.41 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -6.80 -6.36 -6.14 N/A N/A
MD_MERs Replicase polyprotein 1a -6.88 -6.35 N/A N/A N/A
MTASE_SARS2 Methyltransferase -5.31 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -5.61 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -6.72 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -5.58 -5.68 -5.65 N/A N/A
NA_A-H11N9 Neuraminidase -5.88 -6.01 -5.56 N/A N/A
NA_A-H12N5 Neuraminidase -6.11 -5.57 -5.60 N/A N/A
NA_A-H13N9 Neuraminidase -5.24 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -5.39 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -4.72 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -5.67 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -5.90 -5.87 -5.94 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -5.42 -5.42 N/A N/A N/A
NA_A-H3N8 Neuraminidase -5.34 -6.41 -5.89 N/A N/A
NA_A-H5N1 Neuraminidase -5.80 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -5.50 -5.63 -5.60 N/A N/A
NA_INFB Neuraminidase -5.91 -5.98 N/A 14.56% CHEMBL79499
NP_A-H1N1 Nucleoprotein -5.36 -5.70 -5.84 N/A N/A
NP_A-H5N1 Nucleoprotein -5.54 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -5.01 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -6.55 -5.79 -5.75 10.38% CHEMBL3233481
NP_INFB Nucleoprotein -4.22 N/A N/A N/A N/A
NP_INFD NP -4.35 N/A N/A N/A N/A
NP_SARS Nucleoprotein -5.51 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -5.85 -6.08 -6.08 33.33% CHEMBL4107993
NS3_HCV1B Genome polyprotein -5.92 -5.14 -5.79 15.86% CHEMBL1170408
NS3_HCV3A Genome polyprotein -5.88 -5.90 -5.85 N/A N/A
NS5B_HCV1A Genome polyprotein -6.13 -7.39 -7.02 31.30% CHEMBL446360
NS5B_HCV1B Genome polyprotein -5.75 -6.16 -5.93 19.70% CHEMBL3645180
NS5B_HCV2A Genome polyprotein -6.63 -6.55 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -5.75 N/A N/A 29.57% CHEMBL221366
NSP15_SARS2 Replicase polyprotein 1ab -5.75 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -4.43 -4.02 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -5.10 N/A N/A 29.57% CHEMBL221366
NSP3_HCoV-229E Replicase polyprotein 1a -6.62 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -6.49 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -5.38 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -5.99 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -5.54 -5.55 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -5.59 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -5.40 -5.84 -5.35 N/A N/A
PA_A-H5N1 Polymerase acidic protein -5.93 -5.72 -5.50 N/A N/A
PA_INFA Polymerase acidic protein -6.81 -5.31 -5.44 39.56% CHEMBL3600947
PA_INFB Polymerase acidic protein -5.67 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -6.03 -6.07 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -5.63 -5.57 -6.04 N/A N/A
PB2_INFB Polymerase basic protein 2 -6.00 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -5.92 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -6.00 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -6.70 -6.71 -6.30 40.95% CHEMBL222735
PLP_SARS2 papain-like protease -5.47 N/A N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -4.85 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -4.83 -4.56 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -5.09 -5.19 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -4.76 -5.20 -5.08 17.82% CHEMBL450294
PR_HIV2 Gag-Pol polyprotein -5.31 -4.86 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -5.16 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -4.73 -5.43 -5.11 N/A N/A
PR_IBV Replicase polyprotein 1a -5.03 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -5.53 -5.14 N/A N/A N/A
PR_PEDV 3C-like proteinase -5.10 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -5.48 -5.35 -5.17 29.57% CHEMBL221366
PR_SARS2 3C-like protease -5.13 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -5.51 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -5.49 N/A N/A 11.87% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -6.92 -6.85 -7.01 23.36% CHEMBL3775172
SPIKE_HCoV-229E Spike glycoprotein -4.15 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -4.60 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -4.78 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -5.60 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -4.94 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -5.73 -5.14 -4.40 N/A N/A
SPIKE_MHV Spike glycoprotein -5.85 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -5.13 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -4.93 -5.17 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -4.76 -4.77 -5.15 N/A N/A