Captopril #136 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 -5.70 -4.62 -4.29 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -5.22 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -5.34 -5.15 -4.60 34.72% CHEMBL3125897
HA_A-H10N7 Hemagglutinin -4.80 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -4.61 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -4.91 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -4.48 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -5.09 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -4.32 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -3.90 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -4.52 -4.55 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -4.31 -4.63 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -5.02 -4.44 -4.58 N/A N/A
HA_A-H3N8 Hemagglutinin -4.32 -4.52 -4.19 N/A N/A
HA_A-H5N1 Hemagglutinin -4.76 -5.15 -4.85 N/A N/A
HA_A-H5N3 Hemagglutinin -4.84 -4.64 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -4.61 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -4.34 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -4.54 -4.23 -4.26 N/A N/A
HA_A-H7N7 Hemagglutinin -4.33 -5.17 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -4.54 N/A N/A N/A N/A
HA_INFB Hemagglutinin -4.65 -4.33 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -4.27 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -4.86 -4.68 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -4.24 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -4.53 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -3.74 -3.75 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -6.34 -5.64 -5.93 N/A N/A
MD_MERs Replicase polyprotein 1a -6.41 -6.01 N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -6.82 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -5.21 -5.23 -5.33 N/A N/A
NA_A-H11N9 Neuraminidase -4.30 -5.38 -5.34 N/A N/A
NA_A-H12N5 Neuraminidase -4.98 -5.68 -5.82 N/A N/A
NA_A-H13N9 Neuraminidase -4.50 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -4.67 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -4.45 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -5.16 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -5.42 -5.26 -5.00 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -4.62 -4.90 N/A N/A N/A
NA_A-H3N8 Neuraminidase -5.03 -5.24 -5.25 N/A N/A
NA_A-H5N1 Neuraminidase -5.28 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -5.26 -5.29 -5.42 N/A N/A
NA_INFB Neuraminidase -5.79 -5.50 N/A 51.69% CHEMBL370047
NP_A-H1N1 Nucleoprotein -4.38 -4.07 -5.26 N/A N/A
NP_A-H5N1 Nucleoprotein -4.88 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -4.72 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -5.06 -5.06 -5.08 12.26% CHEMBL3233481
NP_INFB Nucleoprotein -3.78 N/A N/A N/A N/A
NP_INFD NP -4.12 N/A N/A N/A N/A
NP_SARS Nucleoprotein -4.95 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -5.10 -5.42 -5.09 53.66% CHEMBL296588
NS3_HCV1B Genome polyprotein -5.20 -5.48 -4.65 36.36% CHEMBL3921185
NS3_HCV3A Genome polyprotein -5.45 -5.07 -5.20 N/A N/A
NS5B_HCV1A Genome polyprotein -5.48 -5.50 -5.35 45.16% CHEMBL13443
NS5B_HCV1B Genome polyprotein -5.26 -5.45 -5.40 18.69% CHEMBL3645210
NS5B_HCV2A Genome polyprotein -6.17 -6.43 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -4.76 N/A N/A 29.23% CHEMBL2441741
NSP1_INFB Non-structural protein 1 -3.86 -3.86 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -4.85 N/A N/A 29.23% CHEMBL2441741
NSP3_HCoV-229E Replicase polyprotein 1a -5.64 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -6.47 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -5.64 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -4.87 -4.69 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -4.74 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -4.92 -5.28 -4.91 N/A N/A
PA_A-H5N1 Polymerase acidic protein -5.16 -5.15 -5.16 N/A N/A
PA_INFA Polymerase acidic protein -5.49 -4.81 -5.33 23.02% CHEMBL278402
PA_INFB Polymerase acidic protein -4.98 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -5.14 -5.45 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -4.74 -4.85 -5.36 N/A N/A
PB2_INFB Polymerase basic protein 2 -5.05 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -5.39 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -5.46 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -5.18 -5.78 -5.38 32.06% CHEMBL213054
PR_FCoV Replicase polyprotein 1ab -4.51 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -4.69 -4.68 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -3.40 -5.46 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -4.56 -4.83 -4.42 23.27% CHEMBL492666
PR_HIV2 Gag-Pol polyprotein -5.06 -4.20 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -4.87 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -5.05 -4.78 -4.66 N/A N/A
PR_IBV Replicase polyprotein 1a -4.76 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -5.00 -5.19 N/A N/A N/A
PR_PEDV 3C-like proteinase -4.85 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -5.03 -5.53 -4.88 29.23% CHEMBL2441741
PR_SARS2 3C-like protease -4.94 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -4.62 N/A N/A N/A N/A
RT_HIV1 Gag-Pol polyprotein -6.74 -6.65 -6.80 27.04% CHEMBL3683710
SPIKE_HCoV-229E Spike glycoprotein -3.88 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -4.05 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -5.03 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -4.81 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -4.06 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -5.11 -4.61 -3.85 N/A N/A
SPIKE_MHV Spike glycoprotein -5.02 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -4.61 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -4.26 -5.14 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -4.15 N/A N/A N/A N/A