sample1-SARS-CoV-2/WA6-UW3/human/2020/USA #276 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 -3.99 N/A N/A 10.14% CHEMBL401086
GP160_HIV1 Envelope glycoprotein gp160 -4.05 -4.11 -4.23 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -4.05 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -3.91 -3.24 -3.24 5.73% CHEMBL3125897
HA_A-H10N7 Hemagglutinin -3.44 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -2.99 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -3.61 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -3.44 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -3.40 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -3.16 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -3.61 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -3.32 -3.17 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -3.57 -3.41 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -3.79 -3.76 -3.64 N/A N/A
HA_A-H3N8 Hemagglutinin -3.03 -3.62 -3.09 N/A N/A
HA_A-H5N1 Hemagglutinin -3.48 -3.57 -3.49 N/A N/A
HA_A-H5N3 Hemagglutinin -3.58 -3.54 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -2.99 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -3.00 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -3.08 -2.92 -3.42 N/A N/A
HA_A-H7N7 Hemagglutinin -3.17 -3.51 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -3.48 N/A N/A N/A N/A
HA_INFB Hemagglutinin -3.27 -3.38 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -2.69 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -3.72 -3.58 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -3.13 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -3.07 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -2.54 -2.44 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -3.95 -3.83 -4.00 N/A N/A
MD_MERs Replicase polyprotein 1a -3.94 -3.87 N/A N/A N/A
MTASE_SARS2 Methyltransferase -3.36 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -3.61 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -4.40 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -3.74 -3.48 -3.49 N/A N/A
NA_A-H11N9 Neuraminidase -3.75 -3.47 -3.45 N/A N/A
NA_A-H12N5 Neuraminidase -3.47 -3.53 -3.65 N/A N/A
NA_A-H13N9 Neuraminidase -3.51 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -3.28 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -3.05 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -3.69 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -3.80 -3.62 -3.42 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -3.02 -3.25 N/A N/A N/A
NA_A-H3N8 Neuraminidase -3.49 -3.68 -3.47 N/A N/A
NA_A-H5N1 Neuraminidase -3.74 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -3.44 -3.49 -3.43 N/A N/A
NA_INFB Neuraminidase -3.43 -3.58 N/A 8.99% CHEMBL139367
NP_A-H1N1 Nucleoprotein -3.10 -3.59 -4.21 N/A N/A
NP_A-H5N1 Nucleoprotein -3.92 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -3.38 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -3.56 -3.85 -3.63 3.41% CHEMBL3233481
NP_INFB Nucleoprotein -2.87 N/A N/A N/A N/A
NP_INFD NP -2.68 N/A N/A N/A N/A
NP_SARS Nucleoprotein -3.68 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -3.60 -3.77 -3.89 9.38% CHEMBL3645629
NS3_HCV1B Genome polyprotein -3.92 -3.70 -3.75 7.83% CHEMBL3927196
NS3_HCV3A Genome polyprotein -3.58 -3.69 -3.68 N/A N/A
NS5B_HCV1A Genome polyprotein -3.84 -3.74 -3.78 7.69% CHEMBL352277
NS5B_HCV1B Genome polyprotein -3.84 -4.10 -4.13 6.61% CHEMBL3645193
NS5B_HCV2A Genome polyprotein -3.88 -3.95 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -3.36 N/A N/A 6.87% CHEMBL2441741
NSP15_SARS2 Replicase polyprotein 1ab -3.49 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -2.72 -2.78 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -3.45 N/A N/A 6.87% CHEMBL2441741
NSP3_HCoV-229E Replicase polyprotein 1a -4.06 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -3.91 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -4.10 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -3.58 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -2.97 -3.16 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -3.39 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -3.75 -4.03 -3.59 N/A N/A
PA_A-H5N1 Polymerase acidic protein -3.61 -3.65 -3.62 N/A N/A
PA_INFA Polymerase acidic protein -3.93 -3.41 -3.39 7.32% CHEMBL2040602
PA_INFB Polymerase acidic protein -3.26 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -3.31 -3.48 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -3.25 -3.21 -3.51 N/A N/A
PB2_INFB Polymerase basic protein 2 -3.33 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -3.40 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -3.40 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -4.04 -4.15 -4.23 6.90% CHEMBL213543
PLP_SARS2 papain-like protease -3.45 N/A N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -3.46 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -3.32 -3.64 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -2.99 -3.50 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -3.06 -3.28 -3.38 8.48% CHEMBL3645129
PR_HIV2 Gag-Pol polyprotein -3.41 -3.21 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -3.47 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -3.33 -3.36 -3.33 N/A N/A
PR_IBV Replicase polyprotein 1a -3.39 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -3.40 -3.61 N/A N/A N/A
PR_PEDV 3C-like proteinase -3.46 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -3.36 -3.58 -3.71 6.87% CHEMBL2441741
PR_SARS2 3C-like protease -3.37 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -3.04 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -4.26 N/A N/A 4.40% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -3.76 -3.76 -3.78 7.52% CHEMBL4278516
SPIKE_HCoV-229E Spike glycoprotein -2.76 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -2.67 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -3.32 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -3.96 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -3.06 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -2.73 -3.18 -3.08 N/A N/A
SPIKE_MHV Spike glycoprotein -3.37 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -3.16 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -3.21 -2.93 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -3.31 -2.80 -3.04 N/A N/A