Compound test #238 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 -9.33 N/A N/A 25.00% CHEMBL258333
GP160_HIV1 Envelope glycoprotein gp160 -6.16 -6.45 -6.39 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -6.92 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -8.24 -8.94 -7.82 16.74% CHEMBL3125895
HA_A-H10N7 Hemagglutinin -7.84 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -6.93 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -7.50 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -6.90 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -6.50 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -6.39 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -6.00 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -6.58 -6.77 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -6.40 -6.43 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -6.79 -6.86 -6.75 N/A N/A
HA_A-H3N8 Hemagglutinin -6.69 -6.10 -6.22 N/A N/A
HA_A-H5N1 Hemagglutinin -7.36 -7.06 -6.79 N/A N/A
HA_A-H5N3 Hemagglutinin -7.11 -6.38 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -6.93 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -6.56 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -6.65 -6.22 -6.94 N/A N/A
HA_A-H7N7 Hemagglutinin -6.56 -6.94 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -6.87 N/A N/A N/A N/A
HA_INFB Hemagglutinin -7.15 -6.43 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.80 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -7.43 -6.86 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -6.69 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -6.60 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -6.47 -6.58 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -9.01 -9.02 -8.76 N/A N/A
MD_MERs Replicase polyprotein 1a -9.11 -9.05 N/A N/A N/A
MTASE_SARS2 Methyltransferase -7.06 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -8.03 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -8.39 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -8.48 -8.19 -7.65 N/A N/A
NA_A-H11N9 Neuraminidase -6.79 -8.01 -8.29 N/A N/A
NA_A-H12N5 Neuraminidase -7.69 -8.40 -8.13 N/A N/A
NA_A-H13N9 Neuraminidase -6.28 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -7.24 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -7.43 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -7.82 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -8.45 -7.16 -8.50 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -7.96 -7.30 N/A N/A N/A
NA_A-H3N8 Neuraminidase -7.81 -7.84 -8.04 N/A N/A
NA_A-H5N1 Neuraminidase -8.03 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -7.71 -7.81 -8.16 N/A N/A
NA_INFB Neuraminidase -7.94 -7.48 N/A 23.64% CHEMBL4161935
NP_A-H1N1 Nucleoprotein -7.25 -7.86 -7.38 N/A N/A
NP_A-H5N1 Nucleoprotein -7.36 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -7.47 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -9.77 -8.06 -7.44 28.12% CHEMBL3233481
NP_INFB Nucleoprotein -5.87 N/A N/A N/A N/A
NP_INFD NP -5.63 N/A N/A N/A N/A
NP_SARS Nucleoprotein -7.27 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -8.50 -6.46 -8.11 35.04% CHEMBL3939896
NS3_HCV1B Genome polyprotein -8.43 -7.43 -6.56 22.27% CHEMBL1170408
NS3_HCV3A Genome polyprotein -7.56 -7.87 -7.28 N/A N/A
NS5B_HCV1A Genome polyprotein -8.65 -8.52 -8.33 26.70% CHEMBL353549
NS5B_HCV1B Genome polyprotein -8.83 -9.36 -9.00 26.37% CHEMBL3645203
NS5B_HCV2A Genome polyprotein -9.75 -8.97 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -7.77 N/A N/A 21.99% CHEMBL2441741
NSP15_SARS2 Replicase polyprotein 1ab -7.90 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -6.71 -6.79 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -6.70 N/A N/A 21.99% CHEMBL2441741
NSP3_HCoV-229E Replicase polyprotein 1a -9.88 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -9.57 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -7.82 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -7.77 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -8.03 -7.31 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -7.39 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -8.37 -8.15 -8.15 N/A N/A
PA_A-H5N1 Polymerase acidic protein -8.47 -8.33 -8.23 N/A N/A
PA_INFA Polymerase acidic protein -8.84 -7.79 -7.59 31.13% CHEMBL2040552
PA_INFB Polymerase acidic protein -8.25 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -8.30 -9.74 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -8.27 -8.06 -8.91 N/A N/A
PB2_INFB Polymerase basic protein 2 -9.09 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -9.44 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -9.13 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -9.66 -8.81 -9.04 42.37% CHEMBL358279
PLP_SARS2 papain-like protease -6.54 N/A N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -7.57 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -7.64 -7.19 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -5.06 -7.76 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -7.13 -7.14 -7.68 19.05% CHEMBL492666
PR_HIV2 Gag-Pol polyprotein -8.34 -7.17 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -6.44 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -7.41 -7.13 -7.45 N/A N/A
PR_IBV Replicase polyprotein 1a -8.30 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -7.62 -7.59 N/A N/A N/A
PR_PEDV 3C-like proteinase -8.29 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -7.47 -6.75 -7.53 21.99% CHEMBL2441741
PR_SARS2 3C-like protease -7.69 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -7.29 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -6.55 N/A N/A 12.41% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -10.79 -10.80 -10.63 30.65% CHEMBL4227382
SPIKE_HCoV-229E Spike glycoprotein -6.45 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -7.14 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -6.70 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -7.80 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -6.45 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -7.35 -7.11 -6.10 N/A N/A
SPIKE_MHV Spike glycoprotein -7.52 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -7.63 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -7.21 -7.37 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -6.66 -7.01 -7.14 N/A N/A