Atazanavir Sulfate #170 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 -6.20 -6.75 -6.09 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -6.76 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -6.38 -8.14 -7.07 35.76% CHEMBL3125895
HA_A-H10N7 Hemagglutinin -7.02 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -6.39 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -5.82 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -6.16 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -6.89 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -5.85 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -5.75 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -6.33 -6.11 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -5.81 -5.98 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -6.14 -6.81 -5.74 N/A N/A
HA_A-H3N8 Hemagglutinin -5.76 -6.21 -6.14 N/A N/A
HA_A-H5N1 Hemagglutinin -5.61 -6.07 -6.14 N/A N/A
HA_A-H5N3 Hemagglutinin -6.51 -6.40 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -6.39 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -5.78 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -6.60 -5.77 -6.36 N/A N/A
HA_A-H7N7 Hemagglutinin -5.67 -6.50 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -6.15 N/A N/A N/A N/A
HA_INFB Hemagglutinin -6.30 -6.31 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -7.26 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.18 -6.34 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -5.66 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -5.58 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -4.99 -6.17 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -6.55 -6.39 -7.08 N/A N/A
MD_MERs Replicase polyprotein 1a -6.87 -7.03 N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 ? N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -7.14 -7.32 -7.05 N/A N/A
NA_A-H11N9 Neuraminidase -5.57 -7.59 -7.83 N/A N/A
NA_A-H12N5 Neuraminidase -7.43 -6.82 -6.45 N/A N/A
NA_A-H13N9 Neuraminidase -5.37 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -6.90 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -7.55 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -6.91 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -8.23 -7.64 -8.48 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -8.11 -7.06 N/A N/A N/A
NA_A-H3N8 Neuraminidase -8.43 -9.05 -7.64 N/A N/A
NA_A-H5N1 Neuraminidase -7.27 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -7.14 -6.88 -7.69 N/A N/A
NA_INFB Neuraminidase -7.28 -7.51 N/A 33.98% CHEMBL318452
NP_A-H1N1 Nucleoprotein -6.51 -6.88 -7.50 N/A N/A
NP_A-H5N1 Nucleoprotein -5.41 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -6.57 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -6.51 -7.03 -6.82 21.13% CHEMBL3233481
NP_INFB Nucleoprotein -5.28 N/A N/A N/A N/A
NP_INFD NP -5.08 N/A N/A N/A N/A
NP_SARS Nucleoprotein -6.75 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -6.46 -5.32 -6.33 41.22% CHEMBL3976363
NS3_HCV1B Genome polyprotein -6.83 -6.59 -5.76 43.23% CHEMBL1170408
NS3_HCV3A Genome polyprotein -6.38 -6.68 -6.78 N/A N/A
NS5B_HCV1A Genome polyprotein -8.82 -8.60 -8.76 42.74% CHEMBL353549
NS5B_HCV1B Genome polyprotein -6.64 -6.23 -7.43 36.84% CHEMBL3422106
NS5B_HCV2A Genome polyprotein -9.04 -1.20 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -5.92 N/A N/A 41.55% CHEMBL2441745
NSP1_INFB Non-structural protein 1 -5.58 -6.13 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -5.46 N/A N/A 41.55% CHEMBL2441745
NSP3_HCoV-229E Replicase polyprotein 1a -8.01 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -7.01 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -5.87 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -6.85 -6.68 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -6.86 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -8.59 -7.65 -8.03 N/A N/A
PA_A-H5N1 Polymerase acidic protein -8.91 -7.63 -8.27 N/A N/A
PA_INFA Polymerase acidic protein -7.44 -6.32 -7.29 29.70% CHEMBL463590
PA_INFB Polymerase acidic protein -7.16 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -7.09 -7.00 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -6.54 -6.49 -7.01 N/A N/A
PB2_INFB Polymerase basic protein 2 -7.57 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -7.00 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 -7.22 -9.73 -8.93 34.42% CHEMBL213054
PR_FCoV Replicase polyprotein 1ab -7.42 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -7.08 -6.59 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -4.03 -7.19 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -6.53 -6.94 -6.86 34.32% CHEMBL510485
PR_HIV2 Gag-Pol polyprotein -7.47 -7.00 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -6.69 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -6.37 -5.30 -5.62 N/A N/A
PR_IBV Replicase polyprotein 1a -7.22 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -6.21 -7.11 N/A N/A N/A
PR_PEDV 3C-like proteinase -7.43 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -6.67 -6.91 -7.07 41.55% CHEMBL2441745
PR_SARS2 3C-like protease -6.52 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -6.29 N/A N/A N/A N/A
RT_HIV1 Gag-Pol polyprotein -7.52 -6.98 -7.37 44.16% CHEMBL4110612
SPIKE_HCoV-229E Spike glycoprotein -4.66 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -5.57 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -6.43 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 -5.99 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -6.57 -5.59 -5.58 N/A N/A
SPIKE_MHV Spike glycoprotein -6.63 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -4.94 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -6.19 -6.27 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -5.71 N/A N/A N/A N/A