Test #239 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 -8.98 N/A N/A 20.81% CHEMBL254495
GP160_HIV1 Envelope glycoprotein gp160 -7.85 -6.09 -6.29 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -7.33 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -7.44 -8.17 -7.41 18.15% CHEMBL3125895
HA_A-H10N7 Hemagglutinin -7.25 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -6.31 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -6.58 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -8.56 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -6.98 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -6.35 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -6.09 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -6.61 -6.45 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -6.59 -6.06 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -6.76 -6.55 -6.49 N/A N/A
HA_A-H3N8 Hemagglutinin -6.16 -6.62 -6.48 N/A N/A
HA_A-H5N1 Hemagglutinin -7.06 -7.01 -6.68 N/A N/A
HA_A-H5N3 Hemagglutinin -7.10 -6.69 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -6.31 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -6.64 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -6.49 -5.82 -6.68 N/A N/A
HA_A-H7N7 Hemagglutinin -5.98 -7.11 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -6.73 N/A N/A N/A N/A
HA_INFB Hemagglutinin -6.90 -6.27 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.12 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -7.18 -6.57 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 -6.10 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -5.58 -5.98 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -9.04 -8.68 -8.70 N/A N/A
MD_MERs Replicase polyprotein 1a -9.30 -8.35 N/A N/A N/A
MTASE_SARS2 Methyltransferase -5.89 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -8.19 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -9.78 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -7.90 -7.63 -7.27 N/A N/A
NA_A-H11N9 Neuraminidase -8.06 -7.48 -7.46 N/A N/A
NA_A-H12N5 Neuraminidase -7.23 -7.39 -7.30 N/A N/A
NA_A-H13N9 Neuraminidase -6.81 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -6.68 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -6.59 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -8.06 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -7.65 -7.17 -7.37 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -7.59 -7.16 N/A N/A N/A
NA_A-H3N8 Neuraminidase -6.82 -7.77 -7.60 N/A N/A
NA_A-H5N1 Neuraminidase -7.26 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -7.30 -7.28 -7.70 N/A N/A
NA_INFB Neuraminidase -7.50 -7.24 N/A 14.43% CHEMBL4175983
NP_A-H1N1 Nucleoprotein -6.67 -8.37 -7.33 N/A N/A
NP_A-H5N1 Nucleoprotein -7.01 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -7.07 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -9.99 -8.04 -7.41 25.69% CHEMBL3233481
NP_INFB Nucleoprotein -5.29 N/A N/A N/A N/A
NP_INFD NP -5.52 N/A N/A N/A N/A
NP_SARS Nucleoprotein -7.28 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -7.91 -6.25 -7.96 26.09% CHEMBL3948327
NS3_HCV1B Genome polyprotein -7.85 -7.61 -6.37 20.66% CHEMBL1170417
NS3_HCV3A Genome polyprotein -7.86 -7.91 -7.87 N/A N/A
NS5B_HCV1A Genome polyprotein -7.52 -8.45 -8.29 24.88% CHEMBL353549
NS5B_HCV1B Genome polyprotein -8.34 -8.50 -7.91 22.22% CHEMBL99408
NS5B_HCV2A Genome polyprotein -9.16 -9.15 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -6.99 N/A N/A 21.58% CHEMBL221366
NSP15_SARS2 Replicase polyprotein 1ab -7.70 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -7.04 -6.49 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -6.18 N/A N/A 21.58% CHEMBL221366
NSP3_HCoV-229E Replicase polyprotein 1a -9.33 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -9.41 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -6.95 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -8.26 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -7.29 -6.65 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -7.18 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -7.66 -7.62 -7.74 N/A N/A
PA_A-H5N1 Polymerase acidic protein -8.04 -7.34 -7.64 N/A N/A
PA_INFA Polymerase acidic protein -8.82 -7.31 -7.62 34.01% CHEMBL2443239
PA_INFB Polymerase acidic protein -7.45 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -8.23 -8.56 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -8.05 -7.61 -8.40 N/A N/A
PB2_INFB Polymerase basic protein 2 -8.81 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -8.30 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -8.31 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -8.29 -8.66 -8.39 29.23% CHEMBL222735
PLP_SARS2 papain-like protease -6.59 N/A N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -7.46 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -7.36 -7.13 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -6.06 -7.43 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -6.83 -7.18 -6.97 15.71% CHEMBL523528
PR_HIV2 Gag-Pol polyprotein -7.66 -6.44 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -6.67 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -6.80 -7.52 -7.38 N/A N/A
PR_IBV Replicase polyprotein 1a -7.20 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -7.19 -7.83 N/A N/A N/A
PR_PEDV 3C-like proteinase -7.15 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -7.24 -6.96 -7.27 21.58% CHEMBL221366
PR_SARS2 3C-like protease -7.38 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -8.00 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -6.52 N/A N/A 17.79% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -9.60 -10.11 -9.98 27.78% CHEMBL4291913
SPIKE_HCoV-229E Spike glycoprotein -5.30 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -5.93 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -6.37 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -7.21 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -6.26 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -7.46 -6.49 -5.51 N/A N/A
SPIKE_MHV Spike glycoprotein -7.09 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -6.39 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -6.52 -7.24 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -5.95 -6.49 -6.65 N/A N/A