Clase proteomica #357 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 -8.59 N/A N/A 27.03% CHEMBL254493
GP160_HIV1 Envelope glycoprotein gp160 -6.53 -6.34 -6.44 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -6.15 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -6.96 -6.78 -6.73 24.28% CHEMBL3125895
HA_A-H10N7 Hemagglutinin -6.11 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -6.02 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -6.04 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -5.91 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -6.35 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -5.23 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -4.99 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -6.11 -5.92 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -5.59 -5.77 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -5.54 -6.16 -5.62 N/A N/A
HA_A-H3N8 Hemagglutinin -5.21 -5.41 -5.17 N/A N/A
HA_A-H5N1 Hemagglutinin -6.09 -6.05 -6.00 N/A N/A
HA_A-H5N3 Hemagglutinin -6.15 -5.80 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -6.02 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -6.10 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -5.87 -5.57 -5.58 N/A N/A
HA_A-H7N7 Hemagglutinin -5.56 -6.86 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -5.67 N/A N/A N/A N/A
HA_INFB Hemagglutinin -5.53 -5.43 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.25 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.08 -5.92 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -5.63 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -6.11 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -5.22 -5.53 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -9.05 -8.73 -8.81 N/A N/A
MD_MERs Replicase polyprotein 1a -8.92 -8.40 N/A N/A N/A
MTASE_SARS2 Methyltransferase -6.02 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -6.98 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -7.92 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -7.24 -7.50 -7.07 N/A N/A
NA_A-H11N9 Neuraminidase -6.24 -7.12 -7.02 N/A N/A
NA_A-H12N5 Neuraminidase -6.89 -7.19 -6.76 N/A N/A
NA_A-H13N9 Neuraminidase -6.37 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -6.83 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -5.95 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -7.04 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -6.94 -6.92 -6.53 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -6.11 -6.45 N/A N/A N/A
NA_A-H3N8 Neuraminidase -6.85 -7.25 -6.69 N/A N/A
NA_A-H5N1 Neuraminidase -7.06 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -6.91 -6.87 -7.22 N/A N/A
NA_INFB Neuraminidase -7.03 -6.67 N/A 26.87% CHEMBL362993
NP_A-H1N1 Nucleoprotein -5.40 -4.90 -6.28 N/A N/A
NP_A-H5N1 Nucleoprotein -5.80 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -6.45 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -7.57 -6.61 -6.31 9.39% CHEMBL3233481
NP_INFB Nucleoprotein -5.10 N/A N/A N/A N/A
NP_INFD NP -5.24 N/A N/A N/A N/A
NP_SARS Nucleoprotein -6.69 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -6.47 -5.67 -7.14 25.44% CHEMBL3696817
NS3_HCV1B Genome polyprotein -6.61 -7.39 -5.64 21.25% CHEMBL297884
NS3_HCV3A Genome polyprotein -6.14 -5.70 -5.90 N/A N/A
NS5B_HCV1A Genome polyprotein -7.22 -7.65 -7.65 23.04% CHEMBL446360
NS5B_HCV1B Genome polyprotein -7.26 -7.30 -7.25 26.33% CHEMBL3645204
NS5B_HCV2A Genome polyprotein -8.66 -8.43 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -6.23 N/A N/A 18.99% CHEMBL2441741
NSP15_SARS2 Replicase polyprotein 1ab -6.84 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -5.44 -5.32 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -5.36 N/A N/A 18.99% CHEMBL2441741
NSP3_HCoV-229E Replicase polyprotein 1a -9.07 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -9.21 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -6.09 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -6.62 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -6.24 -6.36 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -6.83 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -6.66 -7.09 -6.79 N/A N/A
PA_A-H5N1 Polymerase acidic protein -7.14 -6.97 -6.92 N/A N/A
PA_INFA Polymerase acidic protein -7.51 -6.66 -6.92 19.55% CHEMBL2040602
PA_INFB Polymerase acidic protein -6.99 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -7.29 -7.20 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -6.83 -6.91 -6.75 N/A N/A
PB2_INFB Polymerase basic protein 2 -6.71 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -7.13 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -6.78 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -7.87 -7.54 -7.44 18.39% CHEMBL222735
PLP_SARS2 papain-like protease -5.13 N/A N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -6.83 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -6.66 -6.21 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -4.61 -6.43 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -6.23 -6.04 -5.71 23.17% CHEMBL494500
PR_HIV2 Gag-Pol polyprotein -6.56 -5.87 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -6.65 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -6.53 -6.91 -7.08 N/A N/A
PR_IBV Replicase polyprotein 1a -6.42 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -6.39 -6.82 N/A N/A N/A
PR_PEDV 3C-like proteinase -6.66 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -6.50 -6.19 -6.31 18.99% CHEMBL2441741
PR_SARS2 3C-like protease -6.37 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -6.54 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -5.81 N/A N/A 26.33% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -8.22 -8.26 -8.11 22.51% CHEMBL3951988
SPIKE_HCoV-229E Spike glycoprotein -4.63 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -4.53 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -6.16 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -6.38 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -5.64 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -5.76 -5.79 -4.97 N/A N/A
SPIKE_MHV Spike glycoprotein -5.87 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -5.60 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -4.91 -5.95 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -5.16 -5.16 -5.38 N/A N/A