lvkui #166 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
GP160_HIV1 Envelope glycoprotein gp160 -7.09 -7.00 -6.23 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -5.83 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -6.10 -6.30 -6.38 20.59% CHEMBL3125895
HA_A-H10N7 Hemagglutinin -5.91 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -5.28 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -5.39 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -5.62 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -5.30 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -4.52 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -4.45 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -5.57 -5.43 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -4.96 -4.77 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -5.64 -5.50 -5.33 N/A N/A
HA_A-H3N8 Hemagglutinin -5.05 -5.21 -5.26 N/A N/A
HA_A-H5N1 Hemagglutinin -5.47 -5.35 -5.27 N/A N/A
HA_A-H5N3 Hemagglutinin -5.14 -5.21 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -5.28 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -4.83 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -5.19 -4.50 -5.28 N/A N/A
HA_A-H7N7 Hemagglutinin -4.81 -5.63 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -5.18 N/A N/A N/A N/A
HA_INFB Hemagglutinin -5.53 -5.84 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -5.20 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -5.59 -5.26 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -4.89 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -5.55 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -4.88 -5.14 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -7.59 -6.79 -6.95 N/A N/A
MD_MERs Replicase polyprotein 1a -7.55 -6.79 N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -7.73 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -5.83 -5.75 -5.68 N/A N/A
NA_A-H11N9 Neuraminidase -6.01 -6.30 -5.84 N/A N/A
NA_A-H12N5 Neuraminidase -5.90 -6.11 -6.29 N/A N/A
NA_A-H13N9 Neuraminidase -5.43 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -6.06 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -4.98 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -6.01 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -6.24 -5.65 -5.95 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -5.21 -5.95 N/A N/A N/A
NA_A-H3N8 Neuraminidase -5.92 -5.99 -6.39 N/A N/A
NA_A-H5N1 Neuraminidase -6.45 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -6.00 -5.97 -5.83 N/A N/A
NA_INFB Neuraminidase -5.72 -5.76 N/A 24.86% CHEMBL4175983
NP_A-H1N1 Nucleoprotein -5.29 -6.26 -5.55 N/A N/A
NP_A-H5N1 Nucleoprotein -5.97 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -5.50 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -7.48 -5.97 -6.13 37.89% CHEMBL3233481
NP_INFB Nucleoprotein -4.58 N/A N/A N/A N/A
NP_INFD NP -4.62 N/A N/A N/A N/A
NP_SARS Nucleoprotein -6.28 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -5.16 -4.69 -5.88 29.68% CHEMBL4115214
NS3_HCV1B Genome polyprotein -5.49 -5.56 -4.99 19.33% CHEMBL231813
NS3_HCV3A Genome polyprotein -5.88 -5.55 -5.73 N/A N/A
NS5B_HCV1A Genome polyprotein -6.72 -6.96 -6.85 34.11% CHEMBL363650
NS5B_HCV1B Genome polyprotein -6.80 -6.48 -6.58 34.78% CHEMBL99408
NS5B_HCV2A Genome polyprotein -7.38 -7.77 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -5.37 N/A N/A 21.43% CHEMBL3105073
NSP1_INFB Non-structural protein 1 -5.40 -4.83 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -5.09 N/A N/A 21.43% CHEMBL3105073
NSP3_HCoV-229E Replicase polyprotein 1a -7.74 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -7.39 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -6.06 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -5.69 -5.33 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -6.17 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -6.11 -6.48 -6.15 N/A N/A
PA_A-H5N1 Polymerase acidic protein -6.11 -5.71 -5.99 N/A N/A
PA_INFA Polymerase acidic protein -7.05 -6.17 -6.57 27.42% CHEMBL463590
PA_INFB Polymerase acidic protein -5.93 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -6.23 -6.56 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -6.29 -6.90 -6.64 N/A N/A
PB2_INFB Polymerase basic protein 2 -7.10 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -6.67 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -6.92 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -6.91 -7.22 -6.42 26.16% CHEMBL365134
PR_FCoV Replicase polyprotein 1ab -5.84 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -5.86 -5.69 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -4.35 -5.64 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -5.45 -5.34 -5.62 15.59% CHEMBL523528
PR_HIV2 Gag-Pol polyprotein -5.65 -4.95 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -5.76 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -5.64 -6.05 -5.85 N/A N/A
PR_IBV Replicase polyprotein 1a -6.22 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -6.06 -5.84 N/A N/A N/A
PR_PEDV 3C-like proteinase -5.79 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -5.71 -5.52 -6.29 21.43% CHEMBL3105073
PR_SARS2 3C-like protease -5.59 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -5.40 N/A N/A N/A N/A
RT_HIV1 Gag-Pol polyprotein -8.10 -8.01 -8.03 27.82% CHEMBL4227382
SPIKE_HCoV-229E Spike glycoprotein -4.01 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -5.12 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -4.89 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -5.25 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -4.88 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -5.72 -5.19 -4.63 N/A N/A
SPIKE_MHV Spike glycoprotein -5.38 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -5.08 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -5.47 -5.00 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -4.72 N/A N/A N/A N/A