X3 #194 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 -8.41 N/A N/A 37.10% CHEMBL254703
GP160_HIV1 Envelope glycoprotein gp160 -7.28 -7.33 -5.73 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -6.49 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -6.73 -8.08 -7.70 16.67% CHEMBL3125895
HA_A-H10N7 Hemagglutinin -6.04 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -6.20 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -5.98 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -6.76 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -5.99 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -5.57 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -6.05 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -5.63 -5.67 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -5.16 -5.55 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -6.05 -5.83 -5.55 N/A N/A
HA_A-H3N8 Hemagglutinin -5.02 -5.34 -5.42 N/A N/A
HA_A-H5N1 Hemagglutinin -6.24 -6.23 -6.68 N/A N/A
HA_A-H5N3 Hemagglutinin -6.15 -5.61 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -6.20 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -6.27 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -5.20 -5.95 -5.36 N/A N/A
HA_A-H7N7 Hemagglutinin -5.64 -5.80 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -6.36 N/A N/A N/A N/A
HA_INFB Hemagglutinin -5.95 -5.98 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -5.43 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -5.62 -5.67 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -5.79 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -5.67 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -5.22 -5.39 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -8.66 -7.71 -8.11 N/A N/A
MD_MERs Replicase polyprotein 1a -8.78 -8.33 N/A N/A N/A
MTASE_SARS2 Methyltransferase -5.62 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -7.14 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -7.78 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -7.24 -6.87 -6.88 N/A N/A
NA_A-H11N9 Neuraminidase -7.91 -6.83 -7.42 N/A N/A
NA_A-H12N5 Neuraminidase -6.53 -7.43 -7.21 N/A N/A
NA_A-H13N9 Neuraminidase -5.50 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -7.07 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -7.03 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -7.97 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -6.86 -6.34 -6.39 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -5.95 -6.99 N/A N/A N/A
NA_A-H3N8 Neuraminidase -6.62 -7.68 -6.67 N/A N/A
NA_A-H5N1 Neuraminidase -6.65 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -6.46 -6.77 -6.64 N/A N/A
NA_INFB Neuraminidase -7.20 -6.00 N/A 19.77% CHEMBL4161935
NP_A-H1N1 Nucleoprotein -5.46 -7.59 -6.21 N/A N/A
NP_A-H5N1 Nucleoprotein -6.01 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -5.72 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -7.99 -7.62 -6.45 12.93% CHEMBL3233481
NP_INFB Nucleoprotein -5.37 N/A N/A N/A N/A
NP_INFD NP -5.01 N/A N/A N/A N/A
NP_SARS Nucleoprotein -7.05 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -5.53 -5.63 -7.16 30.83% CHEMBL4110238
NS3_HCV1B Genome polyprotein -8.13 -7.58 -5.73 21.49% CHEMBL1170408
NS3_HCV3A Genome polyprotein -5.93 -5.91 -6.14 N/A N/A
NS5B_HCV1A Genome polyprotein -7.75 -8.39 -8.39 22.22% CHEMBL446360
NS5B_HCV1B Genome polyprotein -6.99 -8.28 -7.36 23.38% CHEMBL3645195
NS5B_HCV2A Genome polyprotein -8.99 -8.94 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -6.62 N/A N/A 25.38% CHEMBL221366
NSP15_SARS2 Replicase polyprotein 1ab -6.61 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -6.06 -4.98 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -5.43 N/A N/A 25.38% CHEMBL221366
NSP3_HCoV-229E Replicase polyprotein 1a -8.72 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -8.32 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -7.08 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -7.32 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -6.70 -5.91 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -6.36 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -8.28 -7.28 -6.81 N/A N/A
PA_A-H5N1 Polymerase acidic protein -7.14 -6.81 -6.83 N/A N/A
PA_INFA Polymerase acidic protein -8.42 -6.97 -7.50 28.18% CHEMBL3600947
PA_INFB Polymerase acidic protein -6.54 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -6.88 -7.28 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -6.80 -6.70 -7.90 N/A N/A
PB2_INFB Polymerase basic protein 2 -7.70 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -7.08 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -7.19 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -7.35 -8.90 -8.32 33.88% CHEMBL222735
PLP_SARS2 papain-like protease -6.22 N/A N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -7.37 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -7.41 -7.16 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -4.08 -6.49 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -6.44 -6.47 -6.63 19.66% CHEMBL510485
PR_HIV2 Gag-Pol polyprotein -6.47 -5.66 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -7.08 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -6.27 -7.60 -6.60 N/A N/A
PR_IBV Replicase polyprotein 1a -6.37 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -7.40 -7.30 N/A N/A N/A
PR_PEDV 3C-like proteinase -7.42 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -7.32 -6.35 -6.83 25.38% CHEMBL221366
PR_SARS2 3C-like protease -7.24 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -6.88 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -5.70 N/A N/A 13.24% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -9.26 -9.57 -9.79 22.14% CHEMBL4225753
SPIKE_HCoV-229E Spike glycoprotein -4.73 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -5.28 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -6.00 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -6.01 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -5.75 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -6.14 -5.59 -6.06 N/A N/A
SPIKE_MHV Spike glycoprotein -5.68 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -6.12 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -5.78 -5.59 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -5.96 -5.61 -5.58 N/A N/A