Remdesivir Nucleoside Triphosphate #180 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 -6.16 -5.86 -6.61 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -6.84 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -7.18 -5.84 -6.20 26.38% CHEMBL3125895
HA_A-H10N7 Hemagglutinin -6.93 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -6.40 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -6.29 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -6.18 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -7.20 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -5.64 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -5.57 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -6.07 -6.41 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -5.62 -5.84 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -6.98 -6.46 -6.05 N/A N/A
HA_A-H3N8 Hemagglutinin -6.00 -6.86 -6.46 N/A N/A
HA_A-H5N1 Hemagglutinin -6.60 -6.68 -6.42 N/A N/A
HA_A-H5N3 Hemagglutinin -6.40 -6.71 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -6.40 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -5.93 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -6.48 -6.48 -6.27 N/A N/A
HA_A-H7N7 Hemagglutinin -6.54 -6.62 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -6.46 N/A N/A N/A N/A
HA_INFB Hemagglutinin -6.25 -6.19 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -5.84 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.99 -6.51 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -6.19 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -6.15 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -4.85 -4.62 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -8.32 -8.30 -8.13 N/A N/A
MD_MERs Replicase polyprotein 1a -8.37 -8.48 N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -7.12 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -8.84 -8.48 -8.32 N/A N/A
NA_A-H11N9 Neuraminidase -7.94 -8.75 -8.13 N/A N/A
NA_A-H12N5 Neuraminidase -8.66 -9.16 -8.84 N/A N/A
NA_A-H13N9 Neuraminidase -6.56 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -6.98 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -6.98 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -8.35 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -9.03 -9.08 -8.56 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -8.40 -7.40 N/A N/A N/A
NA_A-H3N8 Neuraminidase -8.56 -8.68 -8.49 N/A N/A
NA_A-H5N1 Neuraminidase -8.09 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -8.04 -7.24 -8.42 N/A N/A
NA_INFB Neuraminidase -8.74 -9.10 N/A 22.26% CHEMBL362993
NP_A-H1N1 Nucleoprotein -6.12 -5.84 -6.42 N/A N/A
NP_A-H5N1 Nucleoprotein -6.40 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -7.38 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -7.40 -6.94 -7.19 11.55% CHEMBL3233481
NP_INFB Nucleoprotein -5.65 N/A N/A N/A N/A
NP_INFD NP -5.24 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 -6.90 -5.94 -6.70 34.16% CHEMBL3696819
NS3_HCV1B Genome polyprotein -8.26 -7.46 -6.21 24.67% CHEMBL297884
NS3_HCV3A Genome polyprotein -7.12 -6.78 -6.62 N/A N/A
NS5B_HCV1A Genome polyprotein -8.12 -8.22 -7.77 27.48% CHEMBL353549
NS5B_HCV1B Genome polyprotein -6.89 -6.62 -6.46 91.82% CHEMBL4111989
NS5B_HCV2A Genome polyprotein -8.59 -8.09 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -6.54 N/A N/A 20.07% CHEMBL2441741
NSP1_INFB Non-structural protein 1 -5.10 -5.81 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -6.13 N/A N/A 20.07% CHEMBL2441741
NSP3_HCoV-229E Replicase polyprotein 1a -8.58 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -7.31 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -5.93 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -5.93 -6.14 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -7.34 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -7.46 -7.91 -8.20 N/A N/A
PA_A-H5N1 Polymerase acidic protein -8.17 -8.28 -8.10 N/A N/A
PA_INFA Polymerase acidic protein -7.29 -7.82 -7.95 22.74% CHEMBL2040578
PA_INFB Polymerase acidic protein -7.48 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -7.53 -7.43 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -7.50 -6.37 -6.96 N/A N/A
PB2_INFB Polymerase basic protein 2 -7.56 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -7.07 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -6.93 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -8.11 -7.81 -8.27 22.01% CHEMBL225515
PR_FCoV Replicase polyprotein 1ab -6.96 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -7.50 -6.52 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -3.86 -7.27 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -6.50 -6.03 -6.35 24.40% CHEMBL510485
PR_HIV2 Gag-Pol polyprotein -6.65 -6.73 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -6.80 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -6.86 -6.62 -6.45 N/A N/A
PR_IBV Replicase polyprotein 1a -6.84 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -6.79 -7.42 N/A N/A N/A
PR_PEDV 3C-like proteinase -7.34 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -7.54 -7.54 -7.14 20.07% CHEMBL2441741
PR_SARS2 3C-like protease -7.46 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -7.11 N/A N/A N/A N/A
RT_HIV1 Gag-Pol polyprotein -8.04 -7.26 -7.64 29.44% CHEMBL4110544
SPIKE_HCoV-229E Spike glycoprotein -5.21 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -5.12 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -6.91 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -6.94 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -6.38 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -6.97 -6.70 -4.66 N/A N/A
SPIKE_MHV Spike glycoprotein -6.90 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -6.12 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -5.63 -6.09 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -5.44 N/A N/A N/A N/A