Anti-Inflammatory v1 #113 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 -6.21 -6.28 -5.85 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -6.87 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -7.31 -6.78 -7.51 30.42% CHEMBL3125895
HA_A-H10N7 Hemagglutinin -6.64 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -6.10 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -6.60 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -6.84 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -6.18 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -5.81 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -5.32 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -6.09 -5.86 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -6.01 -6.34 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -6.33 -6.22 -6.10 N/A N/A
HA_A-H3N8 Hemagglutinin -6.11 -6.08 -5.91 N/A N/A
HA_A-H5N1 Hemagglutinin -6.73 -6.58 -6.58 N/A N/A
HA_A-H5N3 Hemagglutinin -6.60 -5.92 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -6.10 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -5.79 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -6.24 -5.87 -6.10 N/A N/A
HA_A-H7N7 Hemagglutinin -6.63 -6.42 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -7.21 N/A N/A N/A N/A
HA_INFB Hemagglutinin -6.57 -6.44 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -5.83 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.49 -5.83 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -5.68 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -6.09 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -5.38 -5.58 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -7.91 -8.10 -7.95 N/A N/A
MD_MERs Replicase polyprotein 1a -8.45 -7.92 N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -9.09 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -7.14 -7.08 -7.61 N/A N/A
NA_A-H11N9 Neuraminidase -6.67 -7.18 -7.80 N/A N/A
NA_A-H12N5 Neuraminidase -7.82 -7.44 -7.34 N/A N/A
NA_A-H13N9 Neuraminidase -6.33 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -6.48 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -6.53 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -7.57 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -7.01 -6.94 -6.79 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -6.92 -6.91 N/A N/A N/A
NA_A-H3N8 Neuraminidase -7.41 -7.53 -7.42 N/A N/A
NA_A-H5N1 Neuraminidase -7.03 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -7.96 -6.95 -7.37 N/A N/A
NA_INFB Neuraminidase -7.09 -6.83 N/A 28.24% CHEMBL195288
NP_A-H1N1 Nucleoprotein -6.55 -7.79 -6.93 N/A N/A
NP_A-H5N1 Nucleoprotein -6.61 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -6.76 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -8.64 -7.72 -7.12 16.88% CHEMBL3233481
NP_INFB Nucleoprotein -5.02 N/A N/A N/A N/A
NP_INFD NP -5.44 N/A N/A N/A N/A
NP_SARS Nucleoprotein -6.83 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -7.96 -6.56 -7.38 38.59% CHEMBL3896551
NS3_HCV1B Genome polyprotein -7.95 -6.49 -6.58 29.03% CHEMBL3954962
NS3_HCV3A Genome polyprotein -7.05 -6.51 -6.69 N/A N/A
NS5B_HCV1A Genome polyprotein -7.72 -7.51 -7.47 35.40% CHEMBL353549
NS5B_HCV1B Genome polyprotein -7.42 -7.75 -7.58 32.44% CHEMBL3645183
NS5B_HCV2A Genome polyprotein -8.37 -9.06 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -6.59 N/A N/A 28.96% CHEMBL2441741
NSP1_INFB Non-structural protein 1 -5.71 -6.01 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -6.13 N/A N/A 28.96% CHEMBL2441741
NSP3_HCoV-229E Replicase polyprotein 1a -8.85 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -8.79 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -6.64 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -6.68 -6.29 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -7.01 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -7.13 -7.38 -7.28 N/A N/A
PA_A-H5N1 Polymerase acidic protein -7.27 -7.33 -7.37 N/A N/A
PA_INFA Polymerase acidic protein -8.01 -7.01 -7.21 28.92% CHEMBL463590
PA_INFB Polymerase acidic protein -6.71 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -7.83 -8.24 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -7.28 -7.24 -7.38 N/A N/A
PB2_INFB Polymerase basic protein 2 -7.57 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -8.00 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -7.74 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -8.30 -8.01 -8.47 34.10% CHEMBL358279
PR_FCoV Replicase polyprotein 1ab -7.05 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -6.90 -6.98 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -5.71 -6.96 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -6.81 -6.53 -6.61 22.22% CHEMBL492666
PR_HIV2 Gag-Pol polyprotein -7.22 -6.72 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -6.56 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -6.64 -7.16 -7.03 N/A N/A
PR_IBV Replicase polyprotein 1a -6.93 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -6.84 -7.10 N/A N/A N/A
PR_PEDV 3C-like proteinase -6.73 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -6.88 -6.58 -6.84 28.96% CHEMBL2441741
PR_SARS2 3C-like protease -7.05 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -6.65 N/A N/A N/A N/A
RT_HIV1 Gag-Pol polyprotein -9.12 -9.63 -9.24 34.98% CHEMBL4112552
SPIKE_HCoV-229E Spike glycoprotein -4.83 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -5.43 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -6.05 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -6.01 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -5.72 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -6.77 -6.21 -5.40 N/A N/A
SPIKE_MHV Spike glycoprotein -6.47 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -6.28 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -5.62 -6.66 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -6.02 N/A N/A N/A N/A