5-Drugs #122 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 -7.91 -7.78 -7.56 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -6.96 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -7.51 -6.70 -7.79 26.79% CHEMBL3125895
HA_A-H10N7 Hemagglutinin -6.85 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -6.66 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -6.10 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -6.58 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -6.88 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -5.89 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -5.69 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -6.64 -6.40 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -5.69 -6.44 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -6.98 -6.70 -6.46 N/A N/A
HA_A-H3N8 Hemagglutinin -5.79 -6.25 -6.71 N/A N/A
HA_A-H5N1 Hemagglutinin -5.58 -6.41 -6.68 N/A N/A
HA_A-H5N3 Hemagglutinin -6.39 -6.74 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -6.66 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -6.86 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -6.76 -6.34 -6.87 N/A N/A
HA_A-H7N7 Hemagglutinin -6.80 -6.93 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -6.80 N/A N/A N/A N/A
HA_INFB Hemagglutinin -7.04 -6.86 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.33 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.34 -6.55 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -5.99 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -6.40 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -5.41 -5.91 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -8.08 -7.19 -8.57 N/A N/A
MD_MERs Replicase polyprotein 1a -8.38 -8.26 N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -3.84 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -7.49 -8.19 -7.94 N/A N/A
NA_A-H11N9 Neuraminidase -7.31 -8.26 -8.42 N/A N/A
NA_A-H12N5 Neuraminidase -7.58 -8.64 -7.42 N/A N/A
NA_A-H13N9 Neuraminidase -6.38 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -7.85 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -6.91 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -8.03 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -7.81 -7.93 -7.90 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -7.59 -7.50 N/A N/A N/A
NA_A-H3N8 Neuraminidase -8.37 -8.35 -8.09 N/A N/A
NA_A-H5N1 Neuraminidase -8.30 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -7.93 -8.03 -8.36 N/A N/A
NA_INFB Neuraminidase -7.83 -8.09 N/A 21.22% CHEMBL362993
NP_A-H1N1 Nucleoprotein -5.82 -6.71 -6.08 N/A N/A
NP_A-H5N1 Nucleoprotein -5.92 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -7.03 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -7.69 -6.79 -6.85 11.03% CHEMBL3233481
NP_INFB Nucleoprotein -5.92 N/A N/A N/A N/A
NP_INFD NP -5.47 N/A N/A N/A N/A
NP_SARS Nucleoprotein -6.61 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -6.82 -6.14 -6.30 50.17% CHEMBL3696815
NS3_HCV1B Genome polyprotein -6.62 -6.24 -5.28 23.98% CHEMBL297884
NS3_HCV3A Genome polyprotein -7.47 -7.27 -7.46 N/A N/A
NS5B_HCV1A Genome polyprotein -7.87 -8.75 -8.86 26.36% CHEMBL353549
NS5B_HCV1B Genome polyprotein -8.12 -8.03 -7.90 67.51% CHEMBL4111989
NS5B_HCV2A Genome polyprotein -9.92 -8.77 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -6.95 N/A N/A 18.75% CHEMBL2441745
NSP1_INFB Non-structural protein 1 -6.23 -5.74 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -6.20 N/A N/A 18.75% CHEMBL2441745
NSP3_HCoV-229E Replicase polyprotein 1a -8.41 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -7.67 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -6.15 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -6.27 -6.75 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -7.53 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -8.69 -7.82 -7.82 N/A N/A
PA_A-H5N1 Polymerase acidic protein -8.76 -8.68 -8.58 N/A N/A
PA_INFA Polymerase acidic protein -8.30 -8.30 -7.79 19.75% CHEMBL2443239
PA_INFB Polymerase acidic protein -8.30 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -8.14 -7.25 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -6.86 -7.14 -7.58 N/A N/A
PB2_INFB Polymerase basic protein 2 -7.70 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -7.40 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -7.97 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -9.34 -9.32 -9.07 21.38% CHEMBL225515
PR_FCoV Replicase polyprotein 1ab -7.51 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -7.38 -6.56 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -4.63 -7.74 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -6.62 -7.13 -6.53 22.62% CHEMBL494499
PR_HIV2 Gag-Pol polyprotein -6.85 -6.45 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -6.98 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -6.74 -6.94 -7.02 N/A N/A
PR_IBV Replicase polyprotein 1a -7.62 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -7.37 -7.91 N/A N/A N/A
PR_PEDV 3C-like proteinase -7.62 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -7.19 -7.01 -7.28 18.75% CHEMBL2441745
PR_SARS2 3C-like protease -7.99 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -7.35 N/A N/A N/A N/A
RT_HIV1 Gag-Pol polyprotein -8.97 -9.30 -8.71 28.68% CHEMBL4108778
SPIKE_HCoV-229E Spike glycoprotein -5.35 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -4.96 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -7.52 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -6.12 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -5.77 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -6.32 -6.33 -5.95 N/A N/A
SPIKE_MHV Spike glycoprotein -6.36 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -6.64 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -5.99 -6.82 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -5.03 N/A N/A N/A N/A