Bictegravir #128 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 -8.02 -8.18 -7.38 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -8.60 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -9.34 -9.70 -8.73 31.95% CHEMBL3125895
HA_A-H10N7 Hemagglutinin -8.76 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -7.43 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -8.31 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -8.90 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -8.31 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -7.25 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -6.53 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -7.81 -7.91 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -7.84 -7.01 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -8.23 -8.29 -8.04 N/A N/A
HA_A-H3N8 Hemagglutinin -7.32 -7.63 -7.35 N/A N/A
HA_A-H5N1 Hemagglutinin -8.51 -8.10 -8.04 N/A N/A
HA_A-H5N3 Hemagglutinin -7.28 -8.14 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -7.43 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -7.89 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -7.41 -7.32 -7.32 N/A N/A
HA_A-H7N7 Hemagglutinin -7.31 -8.91 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -7.74 N/A N/A N/A N/A
HA_INFB Hemagglutinin -7.97 -8.24 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.75 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -8.44 -7.89 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -7.02 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -7.29 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -6.27 -7.20 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -10.19 -10.05 -10.16 N/A N/A
MD_MERs Replicase polyprotein 1a -10.38 -10.08 N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -10.01 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -9.92 -9.55 -9.60 N/A N/A
NA_A-H11N9 Neuraminidase -8.21 -9.74 -9.42 N/A N/A
NA_A-H12N5 Neuraminidase -9.74 -9.61 -9.66 N/A N/A
NA_A-H13N9 Neuraminidase -8.35 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -9.07 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -8.37 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -9.58 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -8.68 -10.03 -9.34 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -9.29 -9.28 N/A N/A N/A
NA_A-H3N8 Neuraminidase -9.62 -9.33 -10.04 N/A N/A
NA_A-H5N1 Neuraminidase -9.17 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -9.64 -9.85 -9.61 N/A N/A
NA_INFB Neuraminidase -8.98 -8.55 N/A 31.12% CHEMBL4175983
NP_A-H1N1 Nucleoprotein -7.85 -8.37 -8.73 N/A N/A
NP_A-H5N1 Nucleoprotein -8.04 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -9.22 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -11.95 -8.99 -8.08 15.54% CHEMBL3233481
NP_INFB Nucleoprotein -6.17 N/A N/A N/A N/A
NP_INFD NP -6.72 N/A N/A N/A N/A
NP_SARS Nucleoprotein -9.04 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -7.77 -7.76 -9.84 37.41% CHEMBL3645743
NS3_HCV1B Genome polyprotein -10.06 -10.79 -7.31 35.82% CHEMBL3954962
NS3_HCV3A Genome polyprotein -9.34 -9.04 -7.87 N/A N/A
NS5B_HCV1A Genome polyprotein -10.61 -9.96 -10.18 36.11% CHEMBL3644880
NS5B_HCV1B Genome polyprotein -9.58 -9.62 -8.92 36.31% CHEMBL3645214
NS5B_HCV2A Genome polyprotein -11.00 -10.69 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -7.79 N/A N/A 24.29% CHEMBL2441745
NSP1_INFB Non-structural protein 1 -7.15 -7.45 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -8.13 N/A N/A 24.29% CHEMBL2441745
NSP3_HCoV-229E Replicase polyprotein 1a -11.83 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -10.98 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -7.29 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -8.08 -8.22 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -9.52 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -10.75 -9.31 -10.06 N/A N/A
PA_A-H5N1 Polymerase acidic protein -10.31 -10.27 -10.01 N/A N/A
PA_INFA Polymerase acidic protein -11.04 -9.45 -9.72 30.00% CHEMBL2040578
PA_INFB Polymerase acidic protein -9.27 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -9.42 -10.01 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -7.99 -9.47 -9.20 N/A N/A
PB2_INFB Polymerase basic protein 2 -9.64 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -8.72 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -9.98 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -10.77 -10.34 -10.68 29.32% CHEMBL213054
PR_FCoV Replicase polyprotein 1ab -9.64 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -9.47 -8.63 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -5.32 -9.41 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -8.44 -8.43 -7.97 25.83% CHEMBL3645128
PR_HIV2 Gag-Pol polyprotein -8.90 -8.45 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -8.52 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -8.88 -8.73 -8.59 N/A N/A
PR_IBV Replicase polyprotein 1a -9.50 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -8.92 -9.59 N/A N/A N/A
PR_PEDV 3C-like proteinase -9.08 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -9.79 -8.65 -8.88 24.29% CHEMBL2441745
PR_SARS2 3C-like protease -9.47 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -8.53 N/A N/A N/A N/A
RT_HIV1 Gag-Pol polyprotein -10.97 -11.90 -10.84 30.95% CHEMBL4109767
SPIKE_HCoV-229E Spike glycoprotein -6.23 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -7.50 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -7.77 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -8.33 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -7.76 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -8.52 -7.63 -7.41 N/A N/A
SPIKE_MHV Spike glycoprotein -8.99 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -8.13 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -7.85 -7.69 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -7.23 N/A N/A N/A N/A