me #437 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
2A_HE71 Genome polyprotein -6.89 N/A N/A N/A N/A
2A_HE71M Genome polyprotein -7.34 N/A N/A N/A N/A
2C_HE71 Genome polyprotein -5.29 -6.11 N/A N/A N/A
3A_9ENTO Genome polyprotein -5.19 N/A N/A N/A N/A
3A_HE71M Genome polyprotein -6.07 N/A N/A N/A N/A
3A_HED68 Genome polyprotein -5.05 N/A N/A N/A N/A
3C_HE71 Genome polyprotein -5.70 -6.20 N/A N/A N/A
3C_HED68 Genome polyprotein -5.38 N/A N/A N/A N/A
3D_HE71 Genome polyprotein -7.12 N/A N/A N/A N/A
3D_HED68 Genome polyprotein -7.45 N/A N/A N/A N/A
ACE2_HUMAN angiotensin converting enzyme 2 -9.20 N/A N/A 25.93% CHEMBL253224
CAPSD_9CALI Capsid protein -8.10 -6.48 -7.68 N/A N/A
CAPSD_9ENTO Genome polyprotein -8.42 N/A N/A N/A N/A
CAPSD_DEN2P Genome polyprotein -5.94 N/A N/A N/A N/A
CAPSD_HCV77 Genome polyprotein -4.52 N/A N/A 48.91% CHEMBL4107993
CAPSD_HED68 Capsid protein VP0 -8.62 -9.22 N/A N/A N/A
CAPSD_ZIKV Core protein -5.63 -5.14 N/A N/A N/A
DPM_HHV1K DNA polymerase catalytic subunit -7.86 N/A N/A 14.22% CHEMBL479371
E1_9HEPC Envelope glycoprotein E1 -5.31 N/A N/A N/A N/A
E1_HCV77 Genome polyprotein -4.34 N/A N/A 48.91% CHEMBL4107993
E1_HCVJ1 Genome polyprotein -4.37 N/A N/A N/A N/A
E2_9HEPC Core protein precursor -8.87 N/A N/A N/A N/A
E2_HCV77 Genome polyprotein -5.85 N/A N/A 48.91% CHEMBL4107993
ENV_9FLAV Envelope protein E -5.24 N/A N/A N/A N/A
ENV_DEN1B Genome polyprotein -5.45 N/A N/A N/A N/A
ENV_DEN2P Genome polyprotein -7.82 N/A N/A N/A N/A
ENV_DEN3P Genome polyprotein -6.27 N/A N/A N/A N/A
ENV_HHV2H Envelope glycoprotein H -6.25 N/A N/A N/A N/A
ENV_ZIKV Core protein -5.91 N/A N/A N/A N/A
ENV_ZIKVK Genome polyprotein -6.08 N/A N/A N/A N/A
G1_ADNV Envelope polyprotein -3.86 -5.57 -5.45 N/A N/A
G2_ADNV Envelope polyprotein -7.09 -6.66 -6.06 N/A N/A
GB_HHV11 Envelope glycoprotein B -6.80 N/A N/A N/A N/A
GB_HHV1K Envelope glycoprotein B -6.12 -6.62 N/A N/A N/A
GD_9ALPH Glycoprotein D -7.32 -5.74 N/A N/A N/A
GD_HHV1 Glycoprotein D -6.26 N/A N/A N/A N/A
GP160_HIV1 Envelope glycoprotein gp160 -5.71 -5.75 -6.18 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -6.14 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -6.61 -6.61 -6.28 30.30% CHEMBL1655
GP_LASSJ Pre-glycoprotein polyprotein GP complex -6.38 -6.30 N/A N/A N/A
HA_A-H10N7 Hemagglutinin -7.16 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 -7.01 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -5.66 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -6.48 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -6.23 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -5.50 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -5.99 -5.82 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -6.45 -6.58 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -5.82 -5.87 -5.91 N/A N/A
HA_A-H3N8 Hemagglutinin -5.74 -5.94 -6.47 N/A N/A
HA_A-H5N1 Hemagglutinin -6.08 -5.82 -6.15 N/A N/A
HA_A-H5N3 Hemagglutinin -5.93 -6.45 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -6.20 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -5.94 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -6.32 -6.03 -6.16 N/A N/A
HA_A-H7N7 Hemagglutinin -6.49 -6.30 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -6.26 N/A N/A N/A N/A
HA_INFB Hemagglutinin -6.68 -5.93 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -5.48 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.62 -6.60 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -5.65 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -5.54 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -4.71 -5.10 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -6.36 -6.36 -6.76 N/A N/A
MD_MERs Replicase polyprotein 1a -6.92 -6.82 N/A N/A N/A
MEM_9FLAV Core protein -5.17 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -5.72 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -7.21 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -3.52 N/A N/A N/A N/A
MX_9MONO Matrix protein VP40 -7.53 N/A N/A N/A N/A
MX_LASSJ RING finger protein Z -5.87 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -8.10 -7.98 -8.20 N/A N/A
NA_A-H11N9 Neuraminidase -6.94 -7.91 -8.21 N/A N/A
NA_A-H12N5 Neuraminidase -7.94 -8.03 -8.29 N/A N/A
NA_A-H13N9 Neuraminidase -6.21 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -6.20 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -6.73 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -8.11 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -8.45 -7.50 -8.24 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -6.88 -6.66 N/A N/A N/A
NA_A-H3N8 Neuraminidase -7.71 -7.25 -8.16 16.27% CHEMBL4278505
NA_A-H5N1 Neuraminidase -6.77 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -8.15 -7.33 -8.07 N/A N/A
NA_INFB Neuraminidase -7.37 -7.05 N/A 15.73% CHEMBL348066
NP_9ADNV Nucleoprotein -4.41 -6.30 N/A N/A N/A
NP_A-H1N1 Nucleoprotein -5.67 -6.12 -4.94 N/A N/A
NP_A-H5N1 Nucleoprotein -6.09 N/A N/A N/A N/A
NP_EBOZM Nucleoprotein -6.19 -5.28 -6.60 N/A N/A
NP_HCoV-NL63 Nucleoprotein -6.44 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -7.21 -6.43 -6.19 9.62% CHEMBL3233481
NP_INFB Nucleoprotein -5.41 N/A N/A N/A N/A
NP_INFD NP -4.94 N/A N/A N/A N/A
NP_LASSJ Nucleoprotein -9.48 -9.12 -4.58 N/A N/A
NP_SARS Nucleoprotein -7.64 N/A N/A N/A N/A
NS1_9CALI NTPase -5.81 -5.41 -5.71 N/A N/A
NS1_9FLAV Non-structural protein 1 -5.53 N/A N/A N/A N/A
NS1_DEN1W Genome polyprotein -5.58 N/A N/A N/A N/A
NS1_ZIKV Core protein -3.73 -7.02 -6.89 N/A N/A
NS2A_9FLAV Core protein -4.40 N/A N/A N/A N/A
NS2B_DEN1W Genome polyprotein -7.43 N/A N/A N/A N/A
NS2B_DEN2P Genome polyprotein -7.01 -7.34 N/A N/A N/A
NS2B_ZIKV Genome polyprotein -6.52 -6.53 N/A N/A N/A
NS2B_ZIKVF Genome polyprotein -7.11 N/A N/A N/A N/A
NS3_9FLAV Core protein -7.71 N/A N/A N/A N/A
NS3_DEN4T Genome polyprotein -7.88 -7.91 N/A N/A N/A
NS3_HCV1A Genome polyprotein -6.42 -5.62 -6.27 48.91% CHEMBL4107993
NS3_HCV1B Genome polyprotein -6.75 -8.81 -5.83 14.54% CHEMBL1170408
NS3_HCV3A Genome polyprotein -6.26 -6.17 -6.32 N/A N/A
NS3_ZIKV Genome polyprotein -8.29 N/A N/A N/A N/A
NS5B_HCV1A Genome polyprotein -7.08 -7.23 -7.55 30.97% CHEMBL446360
NS5B_HCV1B Genome polyprotein -7.61 -7.19 -6.38 16.93% CHEMBL3645203
NS5B_HCV2A Genome polyprotein -9.06 -8.26 N/A 16.25% CHEMBL4216436
NS5_9FLAV Core protein -7.51 N/A N/A N/A N/A
NS5_DEN3S Genome polyprotein -6.94 -7.34 N/A N/A N/A
NS5_ZIKV Genome polyprotein -7.80 -5.14 N/A N/A N/A
NS5_ZIKVF Genome polyprotein -7.31 N/A N/A N/A N/A
NS6_9CALI NTPase -5.19 -5.58 -6.04 N/A N/A
NSP15_SARS Replicase polyprotein 1ab -5.70 N/A N/A 21.43% CHEMBL471187
NSP15_SARS2 Replicase polyprotein 1ab -6.89 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -5.26 -5.97 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -5.11 N/A N/A 21.43% CHEMBL471187
NSP3_HCoV-229E Replicase polyprotein 1a -8.77 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -6.39 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -5.94 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -6.92 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -6.35 -6.06 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -7.10 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -6.85 -7.02 -7.67 N/A N/A
PA_A-H5N1 Polymerase acidic protein -7.19 -6.94 -6.96 N/A N/A
PA_INFA Polymerase acidic protein -8.10 -7.63 -7.48 45.88% CHEMBL3600947
PA_INFB Polymerase acidic protein -7.37 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -6.67 -6.68 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -6.63 -7.04 -6.76 N/A N/A
PB2_INFB Polymerase basic protein 2 -7.91 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -6.64 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -6.30 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -7.26 -9.29 -7.78 23.26% CHEMBL358279
PLP_SARS2 papain-like protease -5.80 N/A N/A N/A N/A
PM_9VIRU RNA-directed RNA polymerase L -7.00 -8.14 N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -7.08 N/A N/A 14.65% CHEMBL4214471
PR_HCoV-229E Replicase polyprotein 1a -7.23 -7.28 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -4.61 -7.16 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -5.92 -6.12 -6.20 16.47% CHEMBL523528
PR_HIV2 Gag-Pol polyprotein -6.76 -6.12 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -6.66 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -6.44 -6.22 -6.42 N/A N/A
PR_IBV Replicase polyprotein 1a -7.35 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -7.14 -7.52 N/A N/A N/A
PR_PEDV 3C-like proteinase -6.70 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -6.55 -6.99 -6.85 21.43% CHEMBL471187
PR_SARS2 3C-like protease -7.01 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -6.63 N/A N/A N/A N/A
P_9CALI Norovirus P domain protein -7.38 N/A N/A N/A N/A
P_NVN68 Capsid protein VP1 -5.53 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -6.58 N/A N/A 10.39% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -9.11 -7.19 -8.82 26.47% CHEMBL3775172
SPIKE_HCoV-229E Spike glycoprotein -5.10 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -5.64 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -6.89 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -7.13 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -5.34 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -5.68 -5.81 -5.34 N/A N/A
SPIKE_MHV Spike glycoprotein -6.72 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -5.54 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -5.75 -6.28 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -5.79 -5.39 -5.94 N/A N/A
VP1_9CALI Capsid protein -7.82 N/A N/A N/A N/A
VP1_NVN68 Capsid protein VP1 -5.74 N/A N/A N/A N/A
VP24_EBORE Membrane-associated protein VP24 -4.99 N/A N/A N/A N/A
VP24_EBOSU Membrane-associated protein VP24 -4.74 N/A N/A N/A N/A
VP24_EBOZM Membrane-associated protein VP24 -5.47 N/A N/A N/A N/A
VP30_9MONO Minor nucleoprotein VP30 -5.82 N/A N/A N/A N/A
VP30_EBOZ5 Transcriptional activator VP30 -5.65 N/A N/A N/A N/A
VP30_EBOZM Transcriptional activator VP30 -5.80 N/A N/A N/A N/A
VP35_EBORR Polymerase cofactor VP35 -5.53 N/A N/A N/A N/A
VP35_EBOZM Polymerase cofactor VP35 -5.68 -5.75 -5.95 N/A N/A
VP40_EBOZM Matrix protein VP40 -5.62 -5.15 N/A N/A N/A