ZWJZWJ2 #250 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 -5.71 N/A N/A 12.23% CHEMBL251809
GP160_HIV1 Envelope glycoprotein gp160 -5.40 -5.26 -5.44 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -5.10 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -4.46 -4.06 -4.41 7.26% CHEMBL3125895
HA_A-H10N7 Hemagglutinin -3.94 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -3.92 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -4.19 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -4.98 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -4.52 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -3.84 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -3.38 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -4.69 -4.15 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -4.12 -4.35 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -4.25 -4.15 -4.14 N/A N/A
HA_A-H3N8 Hemagglutinin -3.96 -4.33 -4.01 N/A N/A
HA_A-H5N1 Hemagglutinin -4.47 -4.46 -4.14 N/A N/A
HA_A-H5N3 Hemagglutinin -4.46 -4.52 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -3.92 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -3.98 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -3.91 -3.85 -4.24 N/A N/A
HA_A-H7N7 Hemagglutinin -4.18 -4.29 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -4.70 N/A N/A N/A N/A
HA_INFB Hemagglutinin -3.89 -4.43 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -3.72 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -4.88 -4.55 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -3.57 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -4.07 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -3.12 -3.46 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -5.37 -5.16 -5.39 N/A N/A
MD_MERs Replicase polyprotein 1a -5.27 -5.36 N/A N/A N/A
MTASE_SARS2 Methyltransferase -4.46 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -4.87 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -4.94 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -4.63 -4.83 -4.60 N/A N/A
NA_A-H11N9 Neuraminidase -4.49 -4.77 -4.78 N/A N/A
NA_A-H12N5 Neuraminidase -4.94 -4.77 -4.71 N/A N/A
NA_A-H13N9 Neuraminidase -4.30 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -4.28 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -3.80 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -5.25 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -4.58 -4.58 -4.50 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -4.57 -4.13 N/A N/A N/A
NA_A-H3N8 Neuraminidase -4.35 -5.15 -4.43 N/A N/A
NA_A-H5N1 Neuraminidase -4.88 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -4.60 -4.70 -4.74 N/A N/A
NA_INFB Neuraminidase -4.71 -4.69 N/A 9.55% CHEMBL365976
NP_A-H1N1 Nucleoprotein -4.29 -5.01 -4.96 N/A N/A
NP_A-H5N1 Nucleoprotein -4.81 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -4.36 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -4.97 -4.64 -4.57 7.84% CHEMBL3233481
NP_INFB Nucleoprotein -3.60 N/A N/A N/A N/A
NP_INFD NP -3.34 N/A N/A N/A N/A
NP_SARS Nucleoprotein -4.47 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -4.26 -4.53 -4.40 20.61% CHEMBL3645757
NS3_HCV1B Genome polyprotein -4.35 -4.12 -4.16 8.36% CHEMBL3125634
NS3_HCV3A Genome polyprotein -4.73 -4.66 -4.69 N/A N/A
NS5B_HCV1A Genome polyprotein -4.65 -4.86 -4.83 15.56% CHEMBL348944
NS5B_HCV1B Genome polyprotein -4.41 -4.82 -4.99 12.45% CHEMBL3645188
NS5B_HCV2A Genome polyprotein -4.94 -4.98 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -4.63 N/A N/A 14.52% CHEMBL221366
NSP15_SARS2 Replicase polyprotein 1ab -4.51 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -3.30 -3.36 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -4.31 N/A N/A 14.52% CHEMBL221366
NSP3_HCoV-229E Replicase polyprotein 1a -5.15 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -5.35 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -5.06 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -4.46 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -3.98 -4.28 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -4.48 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -4.50 -4.59 -4.55 N/A N/A
PA_A-H5N1 Polymerase acidic protein -4.64 -4.46 -4.40 N/A N/A
PA_INFA Polymerase acidic protein -4.78 -4.40 -4.86 17.58% CHEMBL1829211
PA_INFB Polymerase acidic protein -4.67 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -4.24 -4.46 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -4.35 -4.48 -4.98 N/A N/A
PB2_INFB Polymerase basic protein 2 -4.80 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -4.49 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -4.55 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -5.36 -5.47 -5.64 35.71% CHEMBL222234
PLP_SARS2 papain-like protease -4.44 N/A N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -3.98 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -3.96 -3.83 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -3.79 -4.38 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -3.85 -3.99 -3.93 8.20% CHEMBL3645129
PR_HIV2 Gag-Pol polyprotein -4.40 -3.71 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -4.29 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -4.07 -4.35 -4.44 N/A N/A
PR_IBV Replicase polyprotein 1a -4.19 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -4.52 -4.34 N/A N/A N/A
PR_PEDV 3C-like proteinase -4.12 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -4.83 -5.10 -4.31 14.52% CHEMBL221366
PR_SARS2 3C-like protease -4.23 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -3.96 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -4.78 N/A N/A 7.80% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -4.89 -4.90 -4.94 17.92% CHEMBL3775172
SPIKE_HCoV-229E Spike glycoprotein -3.06 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -3.70 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -4.44 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -4.21 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -4.13 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -3.97 -3.64 -3.57 N/A N/A
SPIKE_MHV Spike glycoprotein -4.22 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -4.58 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -4.31 -3.83 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -4.28 -4.06 -4.00 N/A N/A