jj #411 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 -6.32 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 -5.15 -5.76 N/A N/A N/A
3A_9ENTO Genome polyprotein -4.93 N/A N/A N/A N/A
3A_HE71M Genome polyprotein -5.43 N/A N/A N/A N/A
3A_HED68 Genome polyprotein -5.13 N/A N/A N/A N/A
3C_HE71 Genome polyprotein -5.59 -5.79 N/A N/A N/A
3C_HED68 Genome polyprotein -5.32 N/A N/A N/A N/A
3D_HE71 Genome polyprotein -6.36 N/A N/A N/A N/A
3D_HED68 Genome polyprotein -6.76 N/A N/A N/A N/A
ACE2_HUMAN angiotensin converting enzyme 2 -7.69 N/A N/A 12.50% CHEMBL258333
CAPSD_9CALI Capsid protein -6.60 -6.19 -7.08 N/A N/A
CAPSD_9ENTO Genome polyprotein -8.94 N/A N/A N/A N/A
CAPSD_DEN2P Genome polyprotein -7.09 N/A N/A N/A N/A
CAPSD_HCV77 Genome polyprotein -4.77 N/A N/A 16.33% CHEMBL4106916
CAPSD_HED68 Capsid protein VP0 -8.77 -8.37 N/A N/A N/A
CAPSD_ZIKV Core protein -6.82 -5.93 N/A N/A N/A
DPM_HHV1K DNA polymerase catalytic subunit -6.02 N/A N/A 7.66% CHEMBL481172
E1_9HEPC Envelope glycoprotein E1 -4.79 N/A N/A N/A N/A
E1_HCV77 Genome polyprotein -4.11 N/A N/A 16.33% CHEMBL4106916
E1_HCVJ1 Genome polyprotein -4.33 N/A N/A N/A N/A
E2_9HEPC Core protein precursor -7.47 N/A N/A N/A N/A
E2_HCV77 Genome polyprotein -5.58 N/A N/A 16.33% CHEMBL4106916
ENV_9FLAV Envelope protein E -5.12 N/A N/A N/A N/A
ENV_DEN1B Genome polyprotein -4.98 N/A N/A N/A N/A
ENV_DEN2P Genome polyprotein -5.36 N/A N/A N/A N/A
ENV_DEN3P Genome polyprotein -6.21 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 -5.06 N/A N/A N/A N/A
ENV_ZIKVK Genome polyprotein -5.22 N/A N/A N/A N/A
G1_ADNV Envelope polyprotein -3.89 -5.86 -5.84 N/A N/A
G2_ADNV Envelope polyprotein -6.82 -6.86 -5.60 N/A N/A
GB_HHV11 Envelope glycoprotein B -6.99 N/A N/A N/A N/A
GB_HHV1K Envelope glycoprotein B -6.77 -6.25 N/A N/A N/A
GD_9ALPH Glycoprotein D -6.47 -6.53 N/A N/A N/A
GD_HHV1 Glycoprotein D -5.82 N/A N/A N/A N/A
GP160_HIV1 Envelope glycoprotein gp160 -5.45 -5.41 -8.07 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -6.20 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -6.78 -7.31 -7.02 21.70% CHEMBL4640931
GP_LASSJ Pre-glycoprotein polyprotein GP complex -5.29 -5.73 N/A N/A N/A
HA_A-H10N7 Hemagglutinin -5.87 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -5.24 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -6.24 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -7.17 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -5.43 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -6.11 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -5.03 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -5.78 -5.81 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -5.76 -5.20 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -5.65 -5.45 -5.18 N/A N/A
HA_A-H3N8 Hemagglutinin -5.44 -5.24 -5.21 N/A N/A
HA_A-H5N1 Hemagglutinin -6.49 -7.01 -6.52 N/A N/A
HA_A-H5N3 Hemagglutinin -5.86 -5.78 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -5.24 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -6.08 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -5.05 -5.18 -5.18 N/A N/A
HA_A-H7N7 Hemagglutinin -5.26 -5.56 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -5.29 N/A N/A N/A N/A
HA_INFB Hemagglutinin -6.07 -5.62 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -5.18 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.14 -5.51 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 -5.14 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -5.38 -5.40 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -7.93 -7.66 -7.60 N/A N/A
MD_MERs Replicase polyprotein 1a -7.76 -7.26 N/A N/A N/A
MEM_9FLAV Core protein -5.15 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -5.36 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -6.73 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -7.86 N/A N/A N/A N/A
MX_9MONO Matrix protein VP40 -6.65 N/A N/A N/A N/A
MX_LASSJ RING finger protein Z -5.15 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -6.53 -6.27 -6.06 N/A N/A
NA_A-H11N9 Neuraminidase -6.81 -6.44 -6.10 N/A N/A
NA_A-H12N5 Neuraminidase -6.08 -5.72 -5.85 N/A N/A
NA_A-H13N9 Neuraminidase -5.55 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -5.75 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -5.69 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -6.74 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -5.92 -6.05 -6.15 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -6.32 -6.04 N/A N/A N/A
NA_A-H3N8 Neuraminidase -5.67 -6.95 -6.51 6.88% CHEMBL4285767
NA_A-H5N1 Neuraminidase -6.60 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -5.78 -6.04 -6.18 N/A N/A
NA_INFB Neuraminidase -6.11 -6.27 N/A 12.74% CHEMBL4161935
NP_9ADNV Nucleoprotein -5.57 -6.99 N/A N/A N/A
NP_A-H1N1 Nucleoprotein -5.31 -6.53 -6.00 N/A N/A
NP_A-H5N1 Nucleoprotein -5.96 N/A N/A N/A N/A
NP_EBOZM Nucleoprotein -6.33 -5.64 -5.41 N/A N/A
NP_HCoV-NL63 Nucleoprotein -5.70 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -7.17 -7.14 -6.12 31.51% CHEMBL3233481
NP_INFB Nucleoprotein -4.73 N/A N/A N/A N/A
NP_INFD NP -5.35 N/A N/A N/A N/A
NP_LASSJ Nucleoprotein -8.47 -8.59 -4.79 N/A N/A
NP_SARS Nucleoprotein -6.82 N/A N/A N/A N/A
NS1_9CALI NTPase -5.10 -5.05 -5.74 N/A N/A
NS1_9FLAV Non-structural protein 1 -4.99 N/A N/A N/A N/A
NS1_DEN1W Genome polyprotein -5.11 N/A N/A N/A N/A
NS1_ZIKV Core protein -4.98 -6.54 -6.26 N/A N/A
NS2A_9FLAV Core protein -4.43 N/A N/A N/A N/A
NS2B_DEN1W Genome polyprotein -6.13 N/A N/A N/A N/A
NS2B_DEN2P Genome polyprotein -6.64 -7.31 N/A N/A N/A
NS2B_ZIKV Genome polyprotein -6.86 -6.52 N/A N/A N/A
NS2B_ZIKVF Genome polyprotein -6.21 N/A N/A N/A N/A
NS3_9FLAV Core protein -7.09 N/A N/A N/A N/A
NS3_DEN4T Genome polyprotein -8.70 -6.49 N/A N/A N/A
NS3_HCV1A Genome polyprotein -6.28 -5.65 -6.51 16.33% CHEMBL4106916
NS3_HCV1B Genome polyprotein -6.50 -6.66 -5.61 10.94% CHEMBL3125634
NS3_HCV3A Genome polyprotein -5.89 -7.42 -6.39 N/A N/A
NS3_ZIKV Genome polyprotein -6.69 N/A N/A N/A N/A
NS5B_HCV1A Genome polyprotein -6.59 -7.15 -7.47 18.92% CHEMBL3644925
NS5B_HCV1B Genome polyprotein -7.32 -7.23 -7.74 26.09% CHEMBL99408
NS5B_HCV2A Genome polyprotein -7.44 -8.39 N/A 18.46% CHEMBL3127326
NS5_9FLAV Core protein -6.92 N/A N/A N/A N/A
NS5_DEN3S Genome polyprotein -5.74 -6.74 N/A N/A N/A
NS5_ZIKV Genome polyprotein -6.99 -5.42 N/A N/A N/A
NS5_ZIKVF Genome polyprotein -6.65 N/A N/A N/A N/A
NS6_9CALI NTPase -4.32 -5.19 -5.16 N/A N/A
NSP15_SARS Replicase polyprotein 1ab -5.49 N/A N/A 9.84% CHEMBL471187
NSP15_SARS2 Replicase polyprotein 1ab -5.95 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -6.12 -5.36 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -5.61 N/A N/A 9.84% CHEMBL471187
NSP3_HCoV-229E Replicase polyprotein 1a -7.85 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -7.83 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -6.31 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 -5.94 -6.87 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -6.33 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -6.77 -6.39 -6.52 N/A N/A
PA_A-H5N1 Polymerase acidic protein -6.70 -6.12 -6.51 N/A N/A
PA_INFA Polymerase acidic protein -8.05 -6.49 -6.18 21.82% CHEMBL2070214
PA_INFB Polymerase acidic protein -6.84 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -6.96 -6.83 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -6.36 -6.06 -7.44 N/A N/A
PB2_INFB Polymerase basic protein 2 -7.16 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -6.84 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -6.79 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -7.43 -7.51 -7.51 19.49% CHEMBL358279
PLP_SARS2 papain-like protease -5.58 N/A N/A N/A N/A
PM_9VIRU RNA-directed RNA polymerase L -7.80 -6.26 N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -6.89 N/A N/A 8.00% CHEMBL4214471
PR_HCoV-229E Replicase polyprotein 1a -6.39 -6.12 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -4.35 -6.71 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -5.71 -5.81 -5.73 8.12% CHEMBL492666
PR_HIV2 Gag-Pol polyprotein -6.62 -5.53 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -6.60 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -6.58 -7.10 -7.21 N/A N/A
PR_IBV Replicase polyprotein 1a -6.46 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -6.57 -6.69 N/A N/A N/A
PR_PEDV 3C-like proteinase -6.46 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -6.23 -5.78 -6.62 9.84% CHEMBL471187
PR_SARS2 3C-like protease -6.53 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -6.81 N/A N/A N/A N/A
P_9CALI Norovirus P domain protein -7.23 N/A N/A N/A N/A
P_NVN68 Capsid protein VP1 -5.18 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -5.55 N/A N/A 7.01% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -8.11 -7.97 -7.64 16.38% CHEMBL4227382
SPIKE_HCoV-229E Spike glycoprotein -4.88 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -5.08 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -5.15 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -6.57 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -5.98 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -5.86 -6.16 -4.90 N/A N/A
SPIKE_MHV Spike glycoprotein -6.60 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -5.68 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -6.58 -6.48 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -5.35 -5.09 -5.75 N/A N/A
VP1_9CALI Capsid protein -6.97 N/A N/A N/A N/A
VP1_NVN68 Capsid protein VP1 -5.30 N/A N/A N/A N/A
VP24_EBORE Membrane-associated protein VP24 -5.17 N/A N/A N/A N/A
VP24_EBOSU Membrane-associated protein VP24 -4.62 N/A N/A N/A N/A
VP24_EBOZM Membrane-associated protein VP24 -5.46 N/A N/A N/A N/A
VP30_9MONO Minor nucleoprotein VP30 -5.29 N/A N/A N/A N/A
VP30_EBOZ5 Transcriptional activator VP30 -5.59 N/A N/A N/A N/A
VP30_EBOZM Transcriptional activator VP30 -5.89 N/A N/A N/A N/A
VP35_EBORR Polymerase cofactor VP35 -6.31 N/A N/A N/A N/A
VP35_EBOZM Polymerase cofactor VP35 -5.17 -6.79 -5.79 N/A N/A
VP40_EBOZM Matrix protein VP40 -4.83 -5.91 N/A N/A N/A