Daclatasvir #134 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 -7.54 -6.68 -7.10 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -8.24 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -8.57 -7.08 -6.34 31.02% CHEMBL3125895
HA_A-H10N7 Hemagglutinin -8.09 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -7.20 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -5.74 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -7.18 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -7.85 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -7.27 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -6.82 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -8.01 -7.44 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -8.05 -8.13 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -7.93 -7.49 -7.68 N/A N/A
HA_A-H3N8 Hemagglutinin -7.29 -7.85 -7.00 N/A N/A
HA_A-H5N1 Hemagglutinin -7.02 -6.81 -6.62 N/A N/A
HA_A-H5N3 Hemagglutinin -7.36 -6.56 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -7.20 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -6.47 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -6.81 -6.68 -6.12 N/A N/A
HA_A-H7N7 Hemagglutinin -7.21 -8.52 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -7.72 N/A N/A N/A N/A
HA_INFB Hemagglutinin -7.54 -6.45 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -7.58 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -7.38 -7.25 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -6.93 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -8.34 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -5.84 -6.68 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -9.29 -9.18 -9.91 N/A N/A
MD_MERs Replicase polyprotein 1a -9.81 -9.01 N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 ? N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -5.51 2.75 -5.92 N/A N/A
NA_A-H11N9 Neuraminidase -7.14 -6.26 -7.49 N/A N/A
NA_A-H12N5 Neuraminidase -6.33 -4.66 -7.25 N/A N/A
NA_A-H13N9 Neuraminidase -7.24 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -6.65 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -8.63 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -7.10 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -7.04 -8.05 -9.37 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -7.72 -8.32 N/A N/A N/A
NA_A-H3N8 Neuraminidase -7.64 -7.72 -6.54 N/A N/A
NA_A-H5N1 Neuraminidase -7.30 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -6.58 -6.66 -5.57 N/A N/A
NA_INFB Neuraminidase -1.58 -6.64 N/A 39.29% CHEMBL195288
NP_A-H1N1 Nucleoprotein -6.85 -5.66 -7.63 N/A N/A
NP_A-H5N1 Nucleoprotein -7.52 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -7.24 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -10.82 -7.82 -6.14 16.00% CHEMBL3233481
NP_INFB Nucleoprotein -7.22 N/A N/A N/A N/A
NP_INFD NP -6.29 N/A N/A N/A N/A
NP_SARS Nucleoprotein -8.58 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -9.05 -7.33 -9.04 58.80% CHEMBL3983555
NS3_HCV1B Genome polyprotein -10.41 -9.38 -7.39 41.01% CHEMBL231813
NS3_HCV3A Genome polyprotein -7.90 -8.93 -8.41 N/A N/A
NS5B_HCV1A Genome polyprotein -9.70 -8.97 -9.54 43.65% CHEMBL3644925
NS5B_HCV1B Genome polyprotein -9.90 -8.89 -8.64 26.50% CHEMBL3422106
NS5B_HCV2A Genome polyprotein -8.93 -5.85 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -6.68 N/A N/A 40.78% CHEMBL2441741
NSP1_INFB Non-structural protein 1 -6.95 -6.78 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -6.53 N/A N/A 40.78% CHEMBL2441741
NSP3_HCoV-229E Replicase polyprotein 1a -8.95 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -9.00 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -5.67 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -4.57 -5.83 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -8.23 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -8.38 -8.44 -8.61 N/A N/A
PA_A-H5N1 Polymerase acidic protein -8.91 -7.79 -8.63 N/A N/A
PA_INFA Polymerase acidic protein -9.44 -9.13 -7.91 28.38% CHEMBL2040569
PA_INFB Polymerase acidic protein -7.74 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -8.03 -7.79 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -7.79 -8.27 -8.03 N/A N/A
PB2_INFB Polymerase basic protein 2 -6.63 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -7.78 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -8.97 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -8.80 -9.76 -8.61 40.44% CHEMBL213054
PR_FCoV Replicase polyprotein 1ab -7.46 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -7.77 -7.96 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -5.25 -8.73 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -6.30 -7.67 -7.55 23.38% CHEMBL510485
PR_HIV2 Gag-Pol polyprotein -7.80 -6.95 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -6.92 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -7.73 -7.60 -7.71 N/A N/A
PR_IBV Replicase polyprotein 1a -8.48 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -7.42 -7.44 N/A N/A N/A
PR_PEDV 3C-like proteinase -7.57 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -7.95 -7.45 -7.33 40.78% CHEMBL2441741
PR_SARS2 3C-like protease -8.50 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -8.03 N/A N/A N/A N/A
RT_HIV1 Gag-Pol polyprotein -8.10 -7.87 -5.06 34.27% CHEMBL3683710
SPIKE_HCoV-229E Spike glycoprotein -6.76 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -7.00 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -8.00 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -8.24 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -6.73 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -8.63 -8.32 -7.65 N/A N/A
SPIKE_MHV Spike glycoprotein -7.84 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -7.02 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -7.95 -7.74 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -6.98 N/A N/A N/A N/A