Azithromycin #127 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 -6.25 -6.76 -6.58 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -6.50 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -6.86 -6.85 -6.42 29.94% CHEMBL3125897
HA_A-H10N7 Hemagglutinin -6.98 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -7.27 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -6.06 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -6.57 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -6.79 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -6.45 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -6.18 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -7.38 -6.80 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -6.79 -6.24 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -6.92 -6.78 -6.69 N/A N/A
HA_A-H3N8 Hemagglutinin -6.36 -6.25 -6.25 N/A N/A
HA_A-H5N1 Hemagglutinin -6.32 -6.53 -7.05 N/A N/A
HA_A-H5N3 Hemagglutinin -6.63 -6.38 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -7.27 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -6.83 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -5.98 -6.13 -6.04 N/A N/A
HA_A-H7N7 Hemagglutinin -6.46 -7.85 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -7.16 N/A N/A N/A N/A
HA_INFB Hemagglutinin -6.86 -6.25 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -5.97 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.39 -6.01 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -5.62 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -6.11 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -5.69 -5.62 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -6.86 -6.79 -6.75 N/A N/A
MD_MERs Replicase polyprotein 1a -7.14 -6.94 N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 41.52 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -7.60 -7.15 -7.71 N/A N/A
NA_A-H11N9 Neuraminidase -5.78 -7.41 -7.33 N/A N/A
NA_A-H12N5 Neuraminidase -7.51 -6.77 -7.66 N/A N/A
NA_A-H13N9 Neuraminidase -6.08 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -7.81 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -7.06 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -7.61 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -7.59 -7.21 -7.54 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -7.16 -6.87 N/A N/A N/A
NA_A-H3N8 Neuraminidase -7.85 -8.64 -7.61 N/A N/A
NA_A-H5N1 Neuraminidase -8.59 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -8.06 -6.73 -7.63 N/A N/A
NA_INFB Neuraminidase -6.70 -6.61 N/A 56.52% CHEMBL183817
NP_A-H1N1 Nucleoprotein -6.02 -5.35 -5.69 N/A N/A
NP_A-H5N1 Nucleoprotein -5.89 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 -6.78 -6.54 -6.52 9.15% CHEMBL3233481
NP_INFB Nucleoprotein -6.23 N/A N/A N/A N/A
NP_INFD NP -5.34 N/A N/A N/A N/A
NP_SARS Nucleoprotein -6.62 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -6.97 -6.04 -6.70 39.66% CHEMBL296588
NS3_HCV1B Genome polyprotein -6.50 -6.78 -6.54 26.53% CHEMBL3954962
NS3_HCV3A Genome polyprotein -6.65 -6.02 -6.08 N/A N/A
NS5B_HCV1A Genome polyprotein -9.04 -9.90 -8.37 30.28% CHEMBL163917
NS5B_HCV1B Genome polyprotein -6.86 -6.42 -6.27 23.14% CHEMBL3645211
NS5B_HCV2A Genome polyprotein -7.38 -4.17 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -6.48 N/A N/A 24.56% CHEMBL2441745
NSP1_INFB Non-structural protein 1 -5.99 -6.54 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -5.58 N/A N/A 24.56% CHEMBL2441745
NSP3_HCoV-229E Replicase polyprotein 1a -6.19 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -6.00 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -5.27 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -5.83 -6.73 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -8.47 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -8.43 -8.00 -7.88 N/A N/A
PA_A-H5N1 Polymerase acidic protein -9.22 -8.75 -8.93 N/A N/A
PA_INFA Polymerase acidic protein -6.49 -6.58 -8.88 25.17% CHEMBL2040554
PA_INFB Polymerase acidic protein -7.62 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -6.80 -6.70 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -7.05 -6.46 -6.99 N/A N/A
PB2_INFB Polymerase basic protein 2 -6.87 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 -7.02 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -7.50 -7.31 -7.24 33.12% CHEMBL213054
PR_FCoV Replicase polyprotein 1ab -7.44 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -7.27 -7.54 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -4.08 -7.28 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -6.72 -7.29 -7.13 32.07% CHEMBL3645129
PR_HIV2 Gag-Pol polyprotein -6.92 -6.86 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -5.99 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -6.47 -7.16 -6.17 N/A N/A
PR_IBV Replicase polyprotein 1a -6.92 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -6.94 -7.62 N/A N/A N/A
PR_PEDV 3C-like proteinase -6.88 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -7.18 -6.84 -6.24 24.56% CHEMBL2441745
PR_SARS2 3C-like protease -6.77 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -6.68 N/A N/A N/A N/A
RT_HIV1 Gag-Pol polyprotein -6.33 -5.61 -5.14 32.69% CHEMBL404519
SPIKE_HCoV-229E Spike glycoprotein -5.47 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -6.59 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -6.90 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -6.63 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -5.98 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -6.33 -6.52 -6.15 N/A N/A
SPIKE_MHV Spike glycoprotein -7.49 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -6.79 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -6.58 -6.12 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -5.67 N/A N/A N/A N/A