Umifenovir #161 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 -5.41 -5.61 -4.96 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -5.42 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -6.48 -7.15 -6.92 27.65% CHEMBL3125895
HA_A-H10N7 Hemagglutinin -6.17 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -5.91 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -5.93 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -5.70 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -6.07 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -5.59 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -5.37 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -6.29 -5.64 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -5.77 -5.82 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -6.26 -6.23 -6.09 N/A N/A
HA_A-H3N8 Hemagglutinin -5.28 -5.69 -5.75 N/A N/A
HA_A-H5N1 Hemagglutinin -5.98 -5.38 -5.84 N/A N/A
HA_A-H5N3 Hemagglutinin -5.89 -6.18 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -5.91 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -5.59 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -5.62 -5.13 -5.04 N/A N/A
HA_A-H7N7 Hemagglutinin -5.33 -5.57 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -6.00 N/A N/A N/A N/A
HA_INFB Hemagglutinin -5.85 -5.70 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -4.95 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.06 -5.58 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -4.93 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -5.87 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -5.40 -5.38 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -7.10 -6.97 -6.93 N/A N/A
MD_MERs Replicase polyprotein 1a -7.55 -7.10 N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -4.81 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -7.04 -6.83 -6.74 N/A N/A
NA_A-H11N9 Neuraminidase -5.31 -6.82 -6.96 N/A N/A
NA_A-H12N5 Neuraminidase -6.58 -6.89 -6.68 N/A N/A
NA_A-H13N9 Neuraminidase -5.98 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -6.18 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -5.87 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -6.46 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -6.70 -6.47 -6.32 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -6.46 -6.21 N/A N/A N/A
NA_A-H3N8 Neuraminidase -6.58 -7.06 -6.26 N/A N/A
NA_A-H5N1 Neuraminidase -6.63 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -6.32 -6.42 -6.59 N/A N/A
NA_INFB Neuraminidase -6.80 -6.31 N/A 22.10% CHEMBL4175983
NP_A-H1N1 Nucleoprotein -5.69 -6.27 -5.94 N/A N/A
NP_A-H5N1 Nucleoprotein -6.02 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -6.23 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -7.64 -6.81 -6.10 16.43% CHEMBL3233481
NP_INFB Nucleoprotein -4.41 N/A N/A N/A N/A
NP_INFD NP -4.56 N/A N/A N/A N/A
NP_SARS Nucleoprotein -6.11 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -5.38 -5.40 -5.68 33.77% CHEMBL3895952
NS3_HCV1B Genome polyprotein -6.68 -7.30 -5.04 31.08% CHEMBL1170410
NS3_HCV3A Genome polyprotein -5.94 -6.09 -6.20 N/A N/A
NS5B_HCV1A Genome polyprotein -7.04 -7.35 -7.63 32.37% CHEMBL176058
NS5B_HCV1B Genome polyprotein -7.16 -7.35 -7.43 37.01% CHEMBL3645203
NS5B_HCV2A Genome polyprotein -7.88 -8.46 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -6.24 N/A N/A 23.24% CHEMBL3105073
NSP1_INFB Non-structural protein 1 -5.60 -5.39 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -5.17 N/A N/A 23.24% CHEMBL3105073
NSP3_HCoV-229E Replicase polyprotein 1a -7.52 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -5.83 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -5.69 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -5.45 -6.23 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -6.25 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -6.68 -6.76 -6.65 N/A N/A
PA_A-H5N1 Polymerase acidic protein -7.12 -6.37 -6.29 N/A N/A
PA_INFA Polymerase acidic protein -7.57 -6.04 -6.62 27.13% CHEMBL2040578
PA_INFB Polymerase acidic protein -6.86 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -6.51 -6.69 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -5.90 -6.62 -7.00 N/A N/A
PB2_INFB Polymerase basic protein 2 -7.16 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -6.41 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -6.46 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -8.63 -7.40 -7.75 29.73% CHEMBL225515
PR_FCoV Replicase polyprotein 1ab -6.60 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -7.03 -6.27 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -4.42 -6.93 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -5.50 -6.22 -5.72 20.21% CHEMBL449291
PR_HIV2 Gag-Pol polyprotein -6.51 -6.15 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -6.84 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -5.89 -6.52 -6.39 N/A N/A
PR_IBV Replicase polyprotein 1a -6.86 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -6.43 -6.36 N/A N/A N/A
PR_PEDV 3C-like proteinase -6.78 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -6.43 -6.27 -6.82 23.24% CHEMBL3105073
PR_SARS2 3C-like protease -6.76 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -6.13 N/A N/A N/A N/A
RT_HIV1 Gag-Pol polyprotein -7.92 -8.03 -7.91 27.71% CHEMBL4227326
SPIKE_HCoV-229E Spike glycoprotein -4.76 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -5.79 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -5.77 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -6.92 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -5.17 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -6.25 -5.94 -5.37 N/A N/A
SPIKE_MHV Spike glycoprotein -7.21 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -5.78 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -5.77 -5.67 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -5.49 N/A N/A N/A N/A