ICV801 #334 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 -11.34 N/A N/A 33.61% CHEMBL76
GP160_HIV1 Envelope glycoprotein gp160 -8.01 -6.35 -6.37 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -7.61 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -9.65 -10.08 -8.76 23.86% CHEMBL3125899
HA_A-H10N7 Hemagglutinin -8.14 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -7.23 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -7.22 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -8.23 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -7.78 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -6.76 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -6.54 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -7.91 -7.76 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -6.75 -6.95 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -7.82 -6.74 -7.17 N/A N/A
HA_A-H3N8 Hemagglutinin -6.54 -6.35 -7.43 N/A N/A
HA_A-H5N1 Hemagglutinin -7.64 -7.91 -8.20 N/A N/A
HA_A-H5N3 Hemagglutinin -8.04 -6.87 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -7.23 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -7.43 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -7.15 -6.66 -7.15 N/A N/A
HA_A-H7N7 Hemagglutinin -6.55 -6.81 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -7.12 N/A N/A N/A N/A
HA_INFB Hemagglutinin -7.46 -7.47 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -7.20 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -8.22 -7.83 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -6.28 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -8.23 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -6.70 -6.80 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -9.76 -9.47 -9.45 N/A N/A
MD_MERs Replicase polyprotein 1a -10.24 -9.28 N/A N/A N/A
MTASE_SARS2 Methyltransferase -6.50 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -9.46 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -7.41 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -9.70 -9.03 -8.09 N/A N/A
NA_A-H11N9 Neuraminidase -7.46 -9.00 -9.56 N/A N/A
NA_A-H12N5 Neuraminidase -9.04 -8.76 -9.43 N/A N/A
NA_A-H13N9 Neuraminidase -7.03 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -9.60 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -7.99 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -8.71 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -8.73 -8.53 -8.88 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -8.06 -8.28 N/A N/A N/A
NA_A-H3N8 Neuraminidase -8.17 -8.50 -8.39 N/A N/A
NA_A-H5N1 Neuraminidase -9.66 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -9.52 -9.61 -9.61 N/A N/A
NA_INFB Neuraminidase -8.03 -7.89 N/A 33.15% CHEMBL4175983
NP_A-H1N1 Nucleoprotein -6.81 -7.86 -7.59 N/A N/A
NP_A-H5N1 Nucleoprotein -7.91 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -7.45 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -10.21 -8.13 -8.01 31.09% CHEMBL3233481
NP_INFB Nucleoprotein -6.23 N/A N/A N/A N/A
NP_INFD NP -6.90 N/A N/A N/A N/A
NP_SARS Nucleoprotein -9.14 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -8.65 -6.15 -8.64 38.65% CHEMBL4115214
NS3_HCV1B Genome polyprotein -10.14 -10.17 -6.07 25.15% CHEMBL231813
NS3_HCV3A Genome polyprotein -8.89 -9.06 -8.86 N/A N/A
NS5B_HCV1A Genome polyprotein -9.45 -10.17 -10.19 28.90% CHEMBL68034
NS5B_HCV1B Genome polyprotein -9.73 -9.67 -8.59 28.50% CHEMBL3645179
NS5B_HCV2A Genome polyprotein -11.12 -10.30 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -8.30 N/A N/A 29.75% CHEMBL2441741
NSP15_SARS2 Replicase polyprotein 1ab -8.28 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -7.74 -6.37 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -6.90 N/A N/A 29.75% CHEMBL2441741
NSP3_HCoV-229E Replicase polyprotein 1a -11.14 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -10.17 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -8.08 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -8.22 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -8.75 -7.48 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -9.30 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -10.10 -9.11 -9.95 N/A N/A
PA_A-H5N1 Polymerase acidic protein -9.86 -8.73 -9.59 N/A N/A
PA_INFA Polymerase acidic protein -9.58 -7.98 -9.81 36.57% CHEMBL463590
PA_INFB Polymerase acidic protein -9.09 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -9.61 -10.04 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -8.45 -8.95 -9.00 N/A N/A
PB2_INFB Polymerase basic protein 2 -9.16 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -9.89 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -9.94 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -10.75 -11.23 -10.96 43.57% CHEMBL358279
PLP_SARS2 papain-like protease -7.29 N/A N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -7.88 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -8.42 -7.47 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -4.39 -8.08 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -7.21 -8.46 -7.81 21.21% CHEMBL523528
PR_HIV2 Gag-Pol polyprotein -8.72 -7.13 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -7.90 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -7.57 -10.11 -9.29 N/A N/A
PR_IBV Replicase polyprotein 1a -9.26 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -8.03 -7.98 N/A N/A N/A
PR_PEDV 3C-like proteinase -8.62 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -8.17 -7.10 -8.45 29.75% CHEMBL2441741
PR_SARS2 3C-like protease -8.44 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -8.67 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -6.75 N/A N/A 15.89% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -11.29 -10.77 -9.94 33.56% CHEMBL4227382
SPIKE_HCoV-229E Spike glycoprotein -6.63 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -7.33 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -7.33 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -7.20 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -7.04 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -8.22 -7.20 -5.98 N/A N/A
SPIKE_MHV Spike glycoprotein -8.64 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -7.86 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -7.76 -7.28 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -6.99 -6.79 -7.73 N/A N/A