ICV346 #333 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 -10.20 N/A N/A 34.29% CHEMBL398545
GP160_HIV1 Envelope glycoprotein gp160 -8.29 -8.08 -5.63 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -6.80 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -8.40 -7.54 -8.23 25.59% CHEMBL3125899
HA_A-H10N7 Hemagglutinin -8.16 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -7.06 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -6.67 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -7.58 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -7.28 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -6.53 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -5.52 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -7.49 -7.84 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -7.29 -7.38 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -7.35 -6.80 -6.64 N/A N/A
HA_A-H3N8 Hemagglutinin -6.39 -7.09 -6.63 N/A N/A
HA_A-H5N1 Hemagglutinin -6.95 -6.41 -7.17 N/A N/A
HA_A-H5N3 Hemagglutinin -6.70 -7.00 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -7.06 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -7.30 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -6.26 -5.88 -6.71 N/A N/A
HA_A-H7N7 Hemagglutinin -6.57 -7.61 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -6.48 N/A N/A N/A N/A
HA_INFB Hemagglutinin -7.40 -6.69 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.83 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.88 -7.41 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -6.94 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -6.80 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -6.50 -6.67 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -8.90 -9.26 -10.02 N/A N/A
MD_MERs Replicase polyprotein 1a -9.74 -10.11 N/A N/A N/A
MTASE_SARS2 Methyltransferase -6.37 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -8.44 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -6.46 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -8.02 -8.41 -8.39 N/A N/A
NA_A-H11N9 Neuraminidase -7.63 -7.55 -8.06 N/A N/A
NA_A-H12N5 Neuraminidase -7.73 -8.42 -8.65 N/A N/A
NA_A-H13N9 Neuraminidase -7.14 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -7.58 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -7.69 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -8.01 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -7.79 -8.66 -8.36 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -7.24 -7.29 N/A N/A N/A
NA_A-H3N8 Neuraminidase -8.21 -8.85 -8.26 N/A N/A
NA_A-H5N1 Neuraminidase -8.89 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -8.25 -8.09 -8.41 N/A N/A
NA_INFB Neuraminidase -7.72 -7.47 N/A 36.70% CHEMBL113191
NP_A-H1N1 Nucleoprotein -6.33 -7.46 -7.20 N/A N/A
NP_A-H5N1 Nucleoprotein -7.20 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -7.31 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -8.35 -8.71 -7.87 11.60% CHEMBL3233481
NP_INFB Nucleoprotein -6.01 N/A N/A N/A N/A
NP_INFD NP -6.12 N/A N/A N/A N/A
NP_SARS Nucleoprotein -8.00 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -6.41 -6.80 -8.16 31.88% CHEMBL3645744
NS3_HCV1B Genome polyprotein -6.96 -8.61 -6.75 26.45% CHEMBL1170410
NS3_HCV3A Genome polyprotein -7.93 -7.26 -7.35 N/A N/A
NS5B_HCV1A Genome polyprotein -8.29 -9.81 -9.84 29.57% CHEMBL3644879
NS5B_HCV1B Genome polyprotein -8.52 -8.39 -8.12 25.00% CHEMBL3645213
NS5B_HCV2A Genome polyprotein -11.07 -10.09 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -7.42 N/A N/A 30.05% CHEMBL2441741
NSP15_SARS2 Replicase polyprotein 1ab -8.53 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -6.57 -6.03 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -6.41 N/A N/A 30.05% CHEMBL2441741
NSP3_HCoV-229E Replicase polyprotein 1a -9.93 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -8.44 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -7.54 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -8.14 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -8.33 -7.30 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -8.03 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -8.59 -8.52 -8.50 N/A N/A
PA_A-H5N1 Polymerase acidic protein -9.53 -8.89 -9.20 N/A N/A
PA_INFA Polymerase acidic protein -9.72 -9.04 -8.42 34.52% CHEMBL2040554
PA_INFB Polymerase acidic protein -8.36 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -9.04 -7.88 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -7.49 -8.34 -8.33 N/A N/A
PB2_INFB Polymerase basic protein 2 -8.78 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -7.85 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -8.44 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -8.90 -9.53 -9.45 29.76% CHEMBL213543
PLP_SARS2 papain-like protease -7.26 N/A N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -7.82 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -7.76 -7.36 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -5.11 -7.91 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -7.36 -7.14 -7.18 24.89% CHEMBL523528
PR_HIV2 Gag-Pol polyprotein -7.86 -7.22 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -7.74 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -7.96 -7.39 -7.27 N/A N/A
PR_IBV Replicase polyprotein 1a -7.88 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -6.89 -8.49 N/A N/A N/A
PR_PEDV 3C-like proteinase -8.28 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -7.31 -7.96 -7.62 30.05% CHEMBL2441741
PR_SARS2 3C-like protease -7.29 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -8.41 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -6.59 N/A N/A 14.45% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -10.31 -10.94 -10.50 40.24% CHEMBL3828596
SPIKE_HCoV-229E Spike glycoprotein -6.14 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -6.75 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -7.37 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -7.44 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -7.53 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -7.35 -7.38 -5.92 N/A N/A
SPIKE_MHV Spike glycoprotein -7.54 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 -7.27 -6.93 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -5.46 -6.61 -7.28 N/A N/A