KK01 #327 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 -10.86 N/A N/A 27.08% CHEMBL1240682
GP160_HIV1 Envelope glycoprotein gp160 -7.81 -8.00 -7.94 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -8.72 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -8.32 -7.90 -9.41 25.72% CHEMBL3125895
HA_A-H10N7 Hemagglutinin -8.16 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -7.24 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -6.89 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -7.76 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -7.91 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -7.06 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -6.81 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -7.91 -7.30 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -7.66 -7.70 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -7.31 -7.23 -7.20 N/A N/A
HA_A-H3N8 Hemagglutinin -7.87 -7.38 -7.17 N/A N/A
HA_A-H5N1 Hemagglutinin -7.41 -8.21 -7.96 N/A N/A
HA_A-H5N3 Hemagglutinin -8.21 -7.27 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -7.24 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 -6.96 -6.21 -6.89 N/A N/A
HA_A-H7N7 Hemagglutinin -7.16 -8.24 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -7.37 N/A N/A N/A N/A
HA_INFB Hemagglutinin -7.76 -7.64 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.91 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -7.19 -7.19 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -6.99 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -7.03 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -6.22 -6.34 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -9.41 -9.08 -8.97 N/A N/A
MD_MERs Replicase polyprotein 1a -9.74 -8.98 N/A N/A N/A
MTASE_SARS2 Methyltransferase -7.24 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -9.19 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -10.48 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -9.03 -8.41 -8.21 N/A N/A
NA_A-H11N9 Neuraminidase -7.34 -8.75 -8.44 N/A N/A
NA_A-H12N5 Neuraminidase -8.05 -8.58 -8.53 N/A N/A
NA_A-H13N9 Neuraminidase -7.50 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -8.16 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -8.11 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -7.79 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -9.07 -7.95 -8.43 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -7.66 -7.49 N/A N/A N/A
NA_A-H3N8 Neuraminidase -8.44 -8.47 -8.34 N/A N/A
NA_A-H5N1 Neuraminidase -8.53 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -8.49 -8.85 -8.42 N/A N/A
NA_INFB Neuraminidase -9.09 -7.63 N/A 24.03% CHEMBL4175983
NP_A-H1N1 Nucleoprotein -7.29 -7.98 -7.52 N/A N/A
NP_A-H5N1 Nucleoprotein -8.32 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -7.89 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -9.29 -8.46 -8.37 18.09% CHEMBL3233481
NP_INFB Nucleoprotein -6.17 N/A N/A N/A N/A
NP_INFD NP -6.31 N/A N/A N/A N/A
NP_SARS Nucleoprotein -8.30 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -8.40 -6.88 -9.36 33.11% CHEMBL3892606
NS3_HCV1B Genome polyprotein -9.39 -8.66 -7.38 26.27% CHEMBL3125634
NS3_HCV3A Genome polyprotein -8.43 -8.07 -8.34 N/A N/A
NS5B_HCV1A Genome polyprotein -8.67 -9.24 -9.03 30.15% CHEMBL353549
NS5B_HCV1B Genome polyprotein -9.97 -8.12 -7.93 37.04% CHEMBL3645210
NS5B_HCV2A Genome polyprotein -10.27 -11.27 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -7.66 N/A N/A 21.58% CHEMBL2441745
NSP15_SARS2 Replicase polyprotein 1ab -7.89 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -6.99 -7.44 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -7.56 N/A N/A 21.58% CHEMBL2441745
NSP3_HCoV-229E Replicase polyprotein 1a -10.37 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -9.59 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -7.34 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -7.79 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -8.10 -7.17 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -8.48 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -9.24 -8.49 -9.20 N/A N/A
PA_A-H5N1 Polymerase acidic protein -9.23 -8.77 -9.10 N/A N/A
PA_INFA Polymerase acidic protein -9.00 -9.02 -8.78 37.61% CHEMBL2040578
PA_INFB Polymerase acidic protein -8.98 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -8.48 -8.13 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -8.97 -8.20 -8.47 N/A N/A
PB2_INFB Polymerase basic protein 2 -8.49 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -8.10 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -8.26 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -9.50 -9.38 -9.16 30.23% CHEMBL358279
PLP_SARS2 papain-like protease -7.58 N/A N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -8.64 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -8.41 -8.45 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -5.31 -8.41 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -7.47 -7.59 -7.36 22.35% CHEMBL492666
PR_HIV2 Gag-Pol polyprotein -8.47 -7.07 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -7.78 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -8.41 -8.58 -8.62 N/A N/A
PR_IBV Replicase polyprotein 1a -8.82 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -8.56 -8.54 N/A N/A N/A
PR_PEDV 3C-like proteinase -8.36 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -8.95 -8.06 -8.53 21.58% CHEMBL2441745
PR_SARS2 3C-like protease -8.46 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -9.01 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -7.19 N/A N/A 26.55% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -9.95 -9.34 -10.21 32.37% CHEMBL4227382
SPIKE_HCoV-229E Spike glycoprotein -6.24 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -6.77 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -7.04 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -8.74 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -6.64 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -8.20 -7.15 -6.68 N/A N/A
SPIKE_MHV Spike glycoprotein -8.01 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -6.75 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -7.29 -7.60 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -6.73 -6.49 -7.26 N/A N/A