jj #413 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 -6.42 N/A N/A N/A N/A
2A_HE71M Genome polyprotein -6.07 N/A N/A N/A N/A
2C_HE71 Genome polyprotein -5.06 -5.60 N/A N/A N/A
3A_9ENTO Genome polyprotein -5.27 N/A N/A N/A N/A
3A_HE71M Genome polyprotein -5.33 N/A N/A N/A N/A
3A_HED68 Genome polyprotein -5.48 N/A N/A N/A N/A
3C_HE71 Genome polyprotein -5.71 -5.74 N/A N/A N/A
3C_HED68 Genome polyprotein -5.21 N/A N/A N/A N/A
3D_HE71 Genome polyprotein -7.11 N/A N/A N/A N/A
3D_HED68 Genome polyprotein -7.27 N/A N/A N/A N/A
ACE2_HUMAN angiotensin converting enzyme 2 -7.68 N/A N/A 12.50% CHEMBL258333
CAPSD_9CALI Capsid protein -6.63 -6.41 -7.33 N/A N/A
CAPSD_9ENTO Genome polyprotein -8.84 N/A N/A N/A N/A
CAPSD_DEN2P Genome polyprotein -7.14 N/A N/A N/A N/A
CAPSD_HCV77 Genome polyprotein -4.79 N/A N/A 16.33% CHEMBL4106916
CAPSD_HED68 Capsid protein VP0 -8.64 -8.84 N/A N/A N/A
CAPSD_ZIKV Core protein -6.34 -5.99 N/A N/A N/A
DPM_HHV1K DNA polymerase catalytic subunit -7.19 N/A N/A 7.66% CHEMBL481172
E1_9HEPC Envelope glycoprotein E1 -4.97 N/A N/A N/A N/A
E1_HCV77 Genome polyprotein -4.02 N/A N/A 16.33% CHEMBL4106916
E1_HCVJ1 Genome polyprotein -4.24 N/A N/A N/A N/A
E2_9HEPC Core protein precursor -6.83 N/A N/A N/A N/A
E2_HCV77 Genome polyprotein -5.18 N/A N/A 16.33% CHEMBL4106916
ENV_9FLAV Envelope protein E -4.83 N/A N/A N/A N/A
ENV_DEN1B Genome polyprotein -4.55 N/A N/A N/A N/A
ENV_DEN2P Genome polyprotein -5.55 N/A N/A N/A N/A
ENV_DEN3P Genome polyprotein -5.64 N/A N/A N/A N/A
ENV_HHV2H Envelope glycoprotein H -5.97 N/A N/A N/A N/A
ENV_ZIKV Core protein -5.01 N/A N/A N/A N/A
ENV_ZIKVK Genome polyprotein -4.92 N/A N/A N/A N/A
G1_ADNV Envelope polyprotein -3.63 -6.23 -6.23 N/A N/A
G2_ADNV Envelope polyprotein -6.52 -6.88 -5.46 N/A N/A
GB_HHV11 Envelope glycoprotein B -7.13 N/A N/A N/A N/A
GB_HHV1K Envelope glycoprotein B -7.33 -6.77 N/A N/A N/A
GD_9ALPH Glycoprotein D -6.83 -6.24 N/A N/A N/A
GD_HHV1 Glycoprotein D -5.75 N/A N/A N/A N/A
GP160_HIV1 Envelope glycoprotein gp160 -6.78 -6.43 -5.51 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -6.15 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -6.91 -7.43 -7.17 21.70% CHEMBL4640931
GP_LASSJ Pre-glycoprotein polyprotein GP complex -5.71 -5.19 N/A N/A N/A
HA_A-H10N7 Hemagglutinin -6.23 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -5.71 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -6.28 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -6.73 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -5.85 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -5.43 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -4.76 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -5.74 -5.90 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -5.19 -5.22 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -5.80 -5.62 -5.16 N/A N/A
HA_A-H3N8 Hemagglutinin -5.11 -5.13 -5.22 N/A N/A
HA_A-H5N1 Hemagglutinin -5.61 -7.07 -5.69 N/A N/A
HA_A-H5N3 Hemagglutinin -6.03 -5.46 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -5.71 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -5.79 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -5.61 -5.05 -5.50 N/A N/A
HA_A-H7N7 Hemagglutinin -5.30 -5.87 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -5.78 N/A N/A N/A N/A
HA_INFB Hemagglutinin -6.09 -5.61 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -5.41 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.12 -5.55 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -5.69 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -5.06 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -5.11 -5.36 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -7.63 -7.85 -7.19 N/A N/A
MD_MERs Replicase polyprotein 1a -8.11 -7.33 N/A N/A N/A
MEM_9FLAV Core protein -5.26 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -5.13 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -6.97 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -8.14 N/A N/A N/A N/A
MX_9MONO Matrix protein VP40 -6.91 N/A N/A N/A N/A
MX_LASSJ RING finger protein Z -5.11 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -6.86 -6.64 -6.29 N/A N/A
NA_A-H11N9 Neuraminidase -5.10 -6.74 -6.47 N/A N/A
NA_A-H12N5 Neuraminidase -6.52 -6.02 -6.21 N/A N/A
NA_A-H13N9 Neuraminidase -5.80 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -5.83 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -5.84 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -7.05 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -6.19 -6.04 -6.51 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -6.20 -5.91 N/A N/A N/A
NA_A-H3N8 Neuraminidase -5.87 -7.15 -6.95 6.88% CHEMBL4285767
NA_A-H5N1 Neuraminidase -6.80 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -6.04 -6.13 -6.58 N/A N/A
NA_INFB Neuraminidase -5.81 -6.03 N/A 12.74% CHEMBL4161935
NP_9ADNV Nucleoprotein -5.02 -6.77 N/A N/A N/A
NP_A-H1N1 Nucleoprotein -5.74 -6.88 -6.29 N/A N/A
NP_A-H5N1 Nucleoprotein -6.19 N/A N/A N/A N/A
NP_EBOZM Nucleoprotein -6.44 -5.99 -5.37 N/A N/A
NP_HCoV-NL63 Nucleoprotein -5.74 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -7.89 -6.48 -6.24 31.51% CHEMBL3233481
NP_INFB Nucleoprotein -4.74 N/A N/A N/A N/A
NP_INFD NP -5.31 N/A N/A N/A N/A
NP_LASSJ Nucleoprotein -8.80 -8.33 -4.16 N/A N/A
NP_SARS Nucleoprotein -7.21 N/A N/A N/A N/A
NS1_9CALI NTPase -5.14 -5.18 -5.78 N/A N/A
NS1_9FLAV Non-structural protein 1 -5.22 N/A N/A N/A N/A
NS1_DEN1W Genome polyprotein -4.82 N/A N/A N/A N/A
NS1_ZIKV Core protein -5.52 -6.73 -5.85 N/A N/A
NS2A_9FLAV Core protein -4.33 N/A N/A N/A N/A
NS2B_DEN1W Genome polyprotein -6.18 N/A N/A N/A N/A
NS2B_DEN2P Genome polyprotein -6.91 -7.11 N/A N/A N/A
NS2B_ZIKV Genome polyprotein -6.56 -7.06 N/A N/A N/A
NS2B_ZIKVF Genome polyprotein -6.54 N/A N/A N/A N/A
NS3_9FLAV Core protein -7.24 N/A N/A N/A N/A
NS3_DEN4T Genome polyprotein -6.65 -6.36 N/A N/A N/A
NS3_HCV1A Genome polyprotein -5.70 -5.66 -6.70 16.33% CHEMBL4106916
NS3_HCV1B Genome polyprotein -6.51 -6.98 -5.90 10.94% CHEMBL3125634
NS3_HCV3A Genome polyprotein -6.37 -6.89 -6.30 N/A N/A
NS3_ZIKV Genome polyprotein -6.87 N/A N/A N/A N/A
NS5B_HCV1A Genome polyprotein -6.77 -7.69 -7.83 18.92% CHEMBL3644925
NS5B_HCV1B Genome polyprotein -6.72 -6.77 -7.99 26.09% CHEMBL99408
NS5B_HCV2A Genome polyprotein -7.85 -8.21 N/A 18.46% CHEMBL3127326
NS5_9FLAV Core protein -6.80 N/A N/A N/A N/A
NS5_DEN3S Genome polyprotein -5.82 -6.74 N/A N/A N/A
NS5_ZIKV Genome polyprotein -6.80 -4.93 N/A N/A N/A
NS5_ZIKVF Genome polyprotein -6.85 N/A N/A N/A N/A
NS6_9CALI NTPase -4.35 -5.42 -5.29 N/A N/A
NSP15_SARS Replicase polyprotein 1ab -5.60 N/A N/A 9.84% CHEMBL471187
NSP15_SARS2 Replicase polyprotein 1ab -5.92 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -6.22 -5.46 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -5.33 N/A N/A 9.84% CHEMBL471187
NSP3_HCoV-229E Replicase polyprotein 1a -8.08 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -8.23 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -5.90 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -6.27 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -6.18 -6.79 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -6.27 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -6.76 -6.26 -6.50 N/A N/A
PA_A-H5N1 Polymerase acidic protein -7.02 -6.35 -6.79 N/A N/A
PA_INFA Polymerase acidic protein -8.38 -6.26 -6.13 21.82% CHEMBL2070214
PA_INFB Polymerase acidic protein -6.85 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -7.24 -7.48 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -6.74 -6.56 -6.81 N/A N/A
PB2_INFB Polymerase basic protein 2 -7.72 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -7.35 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -7.17 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -7.69 -7.60 -7.66 19.49% CHEMBL358279
PLP_SARS2 papain-like protease -5.65 N/A N/A N/A N/A
PM_9VIRU RNA-directed RNA polymerase L -7.68 -7.25 N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -6.24 N/A N/A 8.00% CHEMBL4214471
PR_HCoV-229E Replicase polyprotein 1a -6.57 -5.95 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -4.36 -6.50 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -5.93 -5.95 -5.87 8.12% CHEMBL492666
PR_HIV2 Gag-Pol polyprotein -6.98 -5.78 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -6.46 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -6.27 -6.52 -6.60 N/A N/A
PR_IBV Replicase polyprotein 1a -6.31 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -6.54 -6.49 N/A N/A N/A
PR_PEDV 3C-like proteinase -6.33 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -6.21 -6.36 -6.48 9.84% CHEMBL471187
PR_SARS2 3C-like protease -6.55 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -6.45 N/A N/A N/A N/A
P_9CALI Norovirus P domain protein -7.65 N/A N/A N/A N/A
P_NVN68 Capsid protein VP1 -5.14 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -5.38 N/A N/A 7.01% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -8.54 -8.79 -8.96 16.38% CHEMBL4227382
SPIKE_HCoV-229E Spike glycoprotein -4.21 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -5.04 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -5.45 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -5.70 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -5.59 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -6.10 -5.86 -4.90 N/A N/A
SPIKE_MHV Spike glycoprotein -6.01 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -5.79 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -6.17 -6.15 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -5.31 -5.30 -5.41 N/A N/A
VP1_9CALI Capsid protein -6.29 N/A N/A N/A N/A
VP1_NVN68 Capsid protein VP1 -5.71 N/A N/A N/A N/A
VP24_EBORE Membrane-associated protein VP24 -5.35 N/A N/A N/A N/A
VP24_EBOSU Membrane-associated protein VP24 -4.54 N/A N/A N/A N/A
VP24_EBOZM Membrane-associated protein VP24 -5.66 N/A N/A N/A N/A
VP30_9MONO Minor nucleoprotein VP30 -5.51 N/A N/A N/A N/A
VP30_EBOZ5 Transcriptional activator VP30 -5.95 N/A N/A N/A N/A
VP30_EBOZM Transcriptional activator VP30 -6.26 N/A N/A N/A N/A
VP35_EBORR Polymerase cofactor VP35 -6.03 N/A N/A N/A N/A
VP35_EBOZM Polymerase cofactor VP35 -5.16 -6.43 -5.87 N/A N/A
VP40_EBOZM Matrix protein VP40 -5.10 -4.95 N/A N/A N/A