Saquinavir #130 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 -8.07 -8.88 -8.89 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -7.19 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -8.64 -8.49 -8.55 45.82% CHEMBL3125895
HA_A-H10N7 Hemagglutinin -7.37 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -7.07 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -6.07 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -8.36 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -7.39 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -6.69 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -7.19 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -7.39 -7.48 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -7.18 -6.90 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -6.76 -7.30 -6.86 N/A N/A
HA_A-H3N8 Hemagglutinin -6.55 -6.33 -6.47 N/A N/A
HA_A-H5N1 Hemagglutinin -6.62 -7.29 -7.12 N/A N/A
HA_A-H5N3 Hemagglutinin -6.54 -6.32 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -7.07 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -7.69 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -5.57 -6.40 -6.04 N/A N/A
HA_A-H7N7 Hemagglutinin -7.21 -8.03 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -7.24 N/A N/A N/A N/A
HA_INFB Hemagglutinin -7.43 -6.45 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.68 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -7.07 -7.09 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -6.50 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -6.84 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -7.17 -6.92 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -10.20 -9.04 -9.24 N/A N/A
MD_MERs Replicase polyprotein 1a -10.42 -10.00 N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 8.93 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -8.75 -8.91 -8.67 N/A N/A
NA_A-H11N9 Neuraminidase -8.78 -10.03 -10.61 N/A N/A
NA_A-H12N5 Neuraminidase -9.80 -9.83 -8.58 N/A N/A
NA_A-H13N9 Neuraminidase -7.35 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -8.00 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -7.43 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -9.88 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -8.47 -9.46 -8.92 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -9.17 -7.72 N/A N/A N/A
NA_A-H3N8 Neuraminidase -9.09 -9.27 -9.80 N/A N/A
NA_A-H5N1 Neuraminidase -9.90 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -10.11 -10.00 -9.78 N/A N/A
NA_INFB Neuraminidase -8.57 -8.64 N/A 38.74% CHEMBL362993
NP_A-H1N1 Nucleoprotein -6.65 -8.15 -8.04 N/A N/A
NP_A-H5N1 Nucleoprotein -6.98 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -7.54 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -9.41 -7.84 -8.06 27.27% CHEMBL3233481
NP_INFB Nucleoprotein -6.31 N/A N/A N/A N/A
NP_INFD NP -5.84 N/A N/A N/A N/A
NP_SARS Nucleoprotein -8.15 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -8.26 -6.77 -7.22 54.12% CHEMBL3645761
NS3_HCV1B Genome polyprotein -9.29 -9.13 -6.79 50.00% CHEMBL3954962
NS3_HCV3A Genome polyprotein -7.20 -6.55 -6.88 N/A N/A
NS5B_HCV1A Genome polyprotein -9.35 -10.52 -9.48 53.22% CHEMBL13256
NS5B_HCV1B Genome polyprotein -9.45 -9.30 -8.99 40.47% CHEMBL3645202
NS5B_HCV2A Genome polyprotein -11.35 -9.51 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -6.98 N/A N/A 47.25% CHEMBL2441745
NSP1_INFB Non-structural protein 1 -6.21 -6.97 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -6.96 N/A N/A 47.25% CHEMBL2441745
NSP3_HCoV-229E Replicase polyprotein 1a -10.99 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -9.25 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -7.08 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -6.75 -8.06 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -7.90 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -10.93 -9.72 -9.35 N/A N/A
PA_A-H5N1 Polymerase acidic protein -9.73 -9.86 -9.93 N/A N/A
PA_INFA Polymerase acidic protein -9.28 -8.29 -9.56 35.43% CHEMBL463590
PA_INFB Polymerase acidic protein -9.27 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -9.77 -8.06 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -8.29 -8.01 -8.58 N/A N/A
PB2_INFB Polymerase basic protein 2 -8.43 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -8.17 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -9.38 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -9.13 -11.03 -11.05 36.79% CHEMBL213054
PR_FCoV Replicase polyprotein 1ab -8.42 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -8.25 -8.09 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -5.49 -8.90 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -6.87 -7.95 -7.93 31.65% CHEMBL492666
PR_HIV2 Gag-Pol polyprotein -7.61 -8.12 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -8.80 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -8.57 -9.37 -8.03 N/A N/A
PR_IBV Replicase polyprotein 1a -9.03 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -9.43 -9.12 N/A N/A N/A
PR_PEDV 3C-like proteinase -8.36 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -8.83 -9.25 -8.27 47.25% CHEMBL2441745
PR_SARS2 3C-like protease -9.04 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -8.18 N/A N/A N/A N/A
RT_HIV1 Gag-Pol polyprotein -9.89 -10.18 -9.60 41.94% CHEMBL4227326
SPIKE_HCoV-229E Spike glycoprotein -5.15 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -6.53 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -7.41 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -7.23 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -6.26 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -7.70 -7.10 -6.48 N/A N/A
SPIKE_MHV Spike glycoprotein -6.74 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -6.82 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -6.33 -6.25 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -5.73 N/A N/A N/A N/A