Dolutegravir #131 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 -8.59 -8.46 -7.22 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -7.86 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -9.11 -8.48 -8.71 30.84% CHEMBL3125895
HA_A-H10N7 Hemagglutinin -7.72 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -7.42 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -7.38 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -8.11 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -7.52 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -7.38 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -7.25 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -7.64 -7.47 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -8.06 -7.29 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -7.54 -7.48 -7.21 N/A N/A
HA_A-H3N8 Hemagglutinin -6.87 -7.42 -7.24 N/A N/A
HA_A-H5N1 Hemagglutinin -7.48 -8.56 -8.00 N/A N/A
HA_A-H5N3 Hemagglutinin -7.64 -7.45 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -7.42 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -7.60 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -7.08 -7.09 -7.57 N/A N/A
HA_A-H7N7 Hemagglutinin -6.91 -8.21 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -7.37 N/A N/A N/A N/A
HA_INFB Hemagglutinin -7.62 -7.57 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.72 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -7.24 -6.81 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -7.00 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -7.93 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -6.89 -6.96 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -9.82 -9.34 -9.81 N/A N/A
MD_MERs Replicase polyprotein 1a -10.49 -9.56 N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 7.15 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -9.18 -8.86 -8.66 N/A N/A
NA_A-H11N9 Neuraminidase -7.24 -9.61 -9.42 N/A N/A
NA_A-H12N5 Neuraminidase -8.52 -8.92 -9.02 N/A N/A
NA_A-H13N9 Neuraminidase -7.82 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -8.11 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -7.75 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -9.31 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -9.01 -9.18 -8.75 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -8.86 -7.72 N/A N/A N/A
NA_A-H3N8 Neuraminidase -9.02 -9.51 -8.84 N/A N/A
NA_A-H5N1 Neuraminidase -9.35 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -9.53 -9.62 -9.53 N/A N/A
NA_INFB Neuraminidase -8.54 -8.91 N/A 29.33% CHEMBL4175983
NP_A-H1N1 Nucleoprotein -7.44 -7.37 -8.15 N/A N/A
NP_A-H5N1 Nucleoprotein -7.69 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -8.44 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -10.55 -9.25 -8.23 16.12% CHEMBL3233481
NP_INFB Nucleoprotein -6.49 N/A N/A N/A N/A
NP_INFD NP -6.55 N/A N/A N/A N/A
NP_SARS Nucleoprotein -8.44 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -8.61 -6.84 -10.36 37.63% CHEMBL3645743
NS3_HCV1B Genome polyprotein -9.13 -9.51 -7.10 35.02% CHEMBL3954962
NS3_HCV3A Genome polyprotein -7.83 -8.36 -8.14 N/A N/A
NS5B_HCV1A Genome polyprotein -10.02 -10.07 -9.94 34.86% CHEMBL3644880
NS5B_HCV1B Genome polyprotein -8.99 -9.07 -9.62 35.74% CHEMBL3645198
NS5B_HCV2A Genome polyprotein -10.88 -11.13 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -7.23 N/A N/A 23.72% CHEMBL2441745
NSP1_INFB Non-structural protein 1 -6.83 -6.94 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -7.63 N/A N/A 23.72% CHEMBL2441745
NSP3_HCoV-229E Replicase polyprotein 1a -10.65 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -10.64 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -7.17 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -7.52 -7.65 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -8.29 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -9.95 -9.58 -9.08 N/A N/A
PA_A-H5N1 Polymerase acidic protein -9.46 -9.44 -9.14 N/A N/A
PA_INFA Polymerase acidic protein -9.60 -8.68 -9.15 30.96% CHEMBL2040578
PA_INFB Polymerase acidic protein -9.25 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -9.33 -8.59 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -8.31 -8.68 -8.24 N/A N/A
PB2_INFB Polymerase basic protein 2 -9.51 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -8.81 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -9.49 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -9.84 -10.75 -9.58 28.87% CHEMBL212080
PR_FCoV Replicase polyprotein 1ab -8.30 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -7.77 -7.81 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -5.58 -8.36 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -7.67 -8.22 -8.24 24.50% CHEMBL3645128
PR_HIV2 Gag-Pol polyprotein -8.81 -7.24 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -8.30 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -8.17 -8.25 -8.08 N/A N/A
PR_IBV Replicase polyprotein 1a -8.75 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -8.53 -8.58 N/A N/A N/A
PR_PEDV 3C-like proteinase -8.32 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -9.05 -8.05 -8.10 23.72% CHEMBL2441745
PR_SARS2 3C-like protease -8.75 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -8.36 N/A N/A N/A N/A
RT_HIV1 Gag-Pol polyprotein -9.76 -9.88 -10.06 30.61% CHEMBL4109767
SPIKE_HCoV-229E Spike glycoprotein -6.32 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -6.99 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -8.33 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -9.28 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -7.23 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -7.68 -7.63 -6.63 N/A N/A
SPIKE_MHV Spike glycoprotein -7.37 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -7.31 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -7.03 -7.31 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -6.61 N/A N/A N/A N/A