ICV339 #331 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
ACE2_HUMAN angiotensin converting enzyme 2 -10.74 N/A N/A 39.04% CHEMBL398545
GP160_HIV1 Envelope glycoprotein gp160 -8.64 -8.55 -8.22 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -7.88 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -8.04 -8.76 -8.61 26.77% CHEMBL3125899
HA_A-H10N7 Hemagglutinin -7.50 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -7.40 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -7.83 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -6.76 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -6.94 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -6.49 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -6.03 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -6.77 -7.40 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -6.47 -6.74 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -7.33 -7.01 -6.01 N/A N/A
HA_A-H3N8 Hemagglutinin -6.30 -6.39 -6.92 N/A N/A
HA_A-H5N1 Hemagglutinin -7.15 -7.41 -6.83 N/A N/A
HA_A-H5N3 Hemagglutinin -7.19 -6.35 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -7.40 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -6.30 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -8.07 -7.27 -8.01 N/A N/A
HA_A-H7N7 Hemagglutinin -6.07 -7.03 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -7.34 N/A N/A N/A N/A
HA_INFB Hemagglutinin -8.08 -6.75 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -7.12 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -7.41 -7.27 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -7.40 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -7.15 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -6.71 -7.59 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -10.50 -9.61 -9.86 N/A N/A
MD_MERs Replicase polyprotein 1a -10.13 -8.85 N/A N/A N/A
MTASE_SARS2 Methyltransferase -7.13 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -9.00 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -6.86 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -8.22 -8.29 -8.20 N/A N/A
NA_A-H11N9 Neuraminidase -7.99 -8.40 -8.23 N/A N/A
NA_A-H12N5 Neuraminidase -7.50 -8.48 -8.39 N/A N/A
NA_A-H13N9 Neuraminidase -7.36 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -7.22 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -8.02 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -7.55 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -8.01 -8.10 -8.65 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -7.96 -7.88 N/A N/A N/A
NA_A-H3N8 Neuraminidase -7.64 -8.96 -7.74 N/A N/A
NA_A-H5N1 Neuraminidase -9.12 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -8.12 -8.35 -8.33 N/A N/A
NA_INFB Neuraminidase -8.21 -7.63 N/A 35.54% CHEMBL113191
NP_A-H1N1 Nucleoprotein -7.10 -7.98 -7.39 N/A N/A
NP_A-H5N1 Nucleoprotein -7.35 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -7.52 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -8.94 -8.10 -7.78 16.44% CHEMBL3233481
NP_INFB Nucleoprotein -5.68 N/A N/A N/A N/A
NP_INFD NP -6.13 N/A N/A N/A N/A
NP_SARS Nucleoprotein -7.58 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -7.71 -6.71 -7.90 40.12% CHEMBL3645744
NS3_HCV1B Genome polyprotein -7.80 -7.54 -6.84 27.82% CHEMBL1170410
NS3_HCV3A Genome polyprotein -7.27 -7.58 -7.51 N/A N/A
NS5B_HCV1A Genome polyprotein -8.92 -10.24 -10.11 33.90% CHEMBL68034
NS5B_HCV1B Genome polyprotein -8.67 -9.18 -9.03 28.69% CHEMBL3645210
NS5B_HCV2A Genome polyprotein -11.28 -10.58 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -8.04 N/A N/A 32.73% CHEMBL2441741
NSP15_SARS2 Replicase polyprotein 1ab -8.03 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -7.13 -7.22 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -6.80 N/A N/A 32.73% CHEMBL2441741
NSP3_HCoV-229E Replicase polyprotein 1a -11.29 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -10.37 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -7.39 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -8.95 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -7.65 -6.91 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -8.77 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -10.01 -8.45 -8.76 N/A N/A
PA_A-H5N1 Polymerase acidic protein -9.53 -8.85 -9.23 N/A N/A
PA_INFA Polymerase acidic protein -9.57 -9.12 -9.22 44.85% CHEMBL463590
PA_INFB Polymerase acidic protein -8.96 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -8.41 -8.91 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -8.15 -7.90 -8.61 N/A N/A
PB2_INFB Polymerase basic protein 2 -9.49 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -8.74 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -8.49 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -9.87 -9.51 -10.10 30.30% CHEMBL358279
PLP_SARS2 papain-like protease -6.51 N/A N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -7.77 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -8.23 -7.93 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -5.74 -7.62 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -7.47 -7.60 -7.69 25.74% CHEMBL523528
PR_HIV2 Gag-Pol polyprotein -8.38 -7.32 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -7.23 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -7.90 -7.94 -8.29 N/A N/A
PR_IBV Replicase polyprotein 1a -7.18 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -7.22 -7.74 N/A N/A N/A
PR_PEDV 3C-like proteinase -8.72 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -7.43 -7.06 -7.69 32.73% CHEMBL2441741
PR_SARS2 3C-like protease -7.53 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -8.14 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -7.27 N/A N/A 14.47% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -10.26 -9.75 -10.23 48.55% CHEMBL3828596
SPIKE_HCoV-229E Spike glycoprotein -6.37 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -6.84 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -6.99 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -8.09 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -7.34 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -7.37 -7.26 -6.13 N/A N/A
SPIKE_MHV Spike glycoprotein -7.58 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -7.19 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -6.82 -7.44 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -7.00 -6.37 -6.95 N/A N/A