drug target #329 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 -6.89 N/A N/A 100.00% CHEMBL76
GP160_HIV1 Envelope glycoprotein gp160 -7.00 -7.06 -6.49 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -5.82 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -6.13 -6.34 -6.41 20.59% CHEMBL3125895
HA_A-H10N7 Hemagglutinin -5.18 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -5.08 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -5.48 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -6.48 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -5.40 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -4.46 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -4.16 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -5.49 -5.69 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -4.97 -5.36 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -5.35 -5.79 -5.25 N/A N/A
HA_A-H3N8 Hemagglutinin -5.06 -4.66 -5.46 N/A N/A
HA_A-H5N1 Hemagglutinin -5.46 -5.16 -5.31 N/A N/A
HA_A-H5N3 Hemagglutinin -5.13 -5.40 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -5.08 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -4.65 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -5.50 -5.08 -5.18 N/A N/A
HA_A-H7N7 Hemagglutinin -4.83 -5.78 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -5.09 N/A N/A N/A N/A
HA_INFB Hemagglutinin -5.51 -5.43 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -5.10 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -5.40 -5.23 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -4.93 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -5.26 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -4.70 -5.00 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -7.34 -7.22 -7.05 N/A N/A
MD_MERs Replicase polyprotein 1a -7.60 -6.82 N/A N/A N/A
MTASE_SARS2 Methyltransferase -4.94 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -6.08 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -7.75 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -5.94 -5.69 -6.07 N/A N/A
NA_A-H11N9 Neuraminidase -5.99 -5.93 -5.93 N/A N/A
NA_A-H12N5 Neuraminidase -5.88 -6.29 -5.56 N/A N/A
NA_A-H13N9 Neuraminidase -5.10 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -5.79 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -5.10 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -5.95 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -6.21 -5.54 -5.65 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -4.74 -5.31 N/A N/A N/A
NA_A-H3N8 Neuraminidase -5.99 -6.31 -6.07 N/A N/A
NA_A-H5N1 Neuraminidase -6.25 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -6.05 -6.03 -5.84 N/A N/A
NA_INFB Neuraminidase -5.72 -5.56 N/A 24.86% CHEMBL4175983
NP_A-H1N1 Nucleoprotein -5.17 -6.19 -5.67 N/A N/A
NP_A-H5N1 Nucleoprotein -5.90 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -5.49 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -7.29 -6.08 -6.20 37.89% CHEMBL3233481
NP_INFB Nucleoprotein -4.48 N/A N/A N/A N/A
NP_INFD NP -4.67 N/A N/A N/A N/A
NP_SARS Nucleoprotein -6.16 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -5.03 -4.68 -6.06 29.68% CHEMBL4115214
NS3_HCV1B Genome polyprotein -6.87 -6.56 -4.91 19.33% CHEMBL231813
NS3_HCV3A Genome polyprotein -5.65 -5.10 -5.31 N/A N/A
NS5B_HCV1A Genome polyprotein -6.33 -6.97 -6.36 34.11% CHEMBL363650
NS5B_HCV1B Genome polyprotein -6.90 -6.44 -6.60 34.78% CHEMBL99408
NS5B_HCV2A Genome polyprotein -7.23 -7.58 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -5.38 N/A N/A 21.43% CHEMBL3105073
NSP15_SARS2 Replicase polyprotein 1ab -5.78 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -5.54 -5.05 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -5.01 N/A N/A 21.43% CHEMBL3105073
NSP3_HCoV-229E Replicase polyprotein 1a -7.82 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -7.04 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -6.13 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -6.20 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -5.78 -5.22 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -6.15 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -6.56 -6.42 -6.05 N/A N/A
PA_A-H5N1 Polymerase acidic protein -6.27 -6.22 -6.17 N/A N/A
PA_INFA Polymerase acidic protein -6.97 -5.43 -5.89 27.42% CHEMBL463590
PA_INFB Polymerase acidic protein -5.95 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -6.39 -6.85 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -5.94 -6.92 -6.59 N/A N/A
PB2_INFB Polymerase basic protein 2 -7.06 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -6.87 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -6.95 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -6.62 -6.69 -7.40 26.16% CHEMBL365134
PLP_SARS2 papain-like protease -5.34 N/A N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -5.97 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -6.06 -5.73 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -3.85 -5.85 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -5.34 -5.72 -5.68 15.59% CHEMBL523528
PR_HIV2 Gag-Pol polyprotein -5.75 -5.37 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -5.51 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -5.49 -5.83 -5.82 N/A N/A
PR_IBV Replicase polyprotein 1a -6.23 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -6.14 -5.87 N/A N/A N/A
PR_PEDV 3C-like proteinase -5.80 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -5.92 -5.48 -6.04 21.43% CHEMBL3105073
PR_SARS2 3C-like protease -5.88 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -5.42 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -4.87 N/A N/A 13.64% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -8.27 -8.03 -7.93 27.82% CHEMBL4227382
SPIKE_HCoV-229E Spike glycoprotein -3.95 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -4.70 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -5.17 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -6.02 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -4.89 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -5.15 -5.49 -4.41 N/A N/A
SPIKE_MHV Spike glycoprotein -5.26 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -5.31 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -5.43 -5.15 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -4.60 -4.87 -5.22 N/A N/A