JJJ002 #409 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 -7.92 N/A N/A N/A N/A
2A_HE71M Genome polyprotein -7.74 N/A N/A N/A N/A
2C_HE71 Genome polyprotein -5.30 -5.97 N/A N/A N/A
3A_9ENTO Genome polyprotein -6.03 N/A N/A N/A N/A
3A_HE71M Genome polyprotein -5.78 N/A N/A N/A N/A
3A_HED68 Genome polyprotein -6.07 N/A N/A N/A N/A
3C_HE71 Genome polyprotein -6.90 -6.63 N/A N/A N/A
3C_HED68 Genome polyprotein -5.91 N/A N/A N/A N/A
3D_HE71 Genome polyprotein -7.85 N/A N/A N/A N/A
3D_HED68 Genome polyprotein -7.70 N/A N/A N/A N/A
ACE2_HUMAN angiotensin converting enzyme 2 -8.94 N/A N/A 18.26% CHEMBL258333
CAPSD_9CALI Capsid protein -7.71 -7.23 -8.18 N/A N/A
CAPSD_9ENTO Genome polyprotein -10.65 N/A N/A N/A N/A
CAPSD_DEN2P Genome polyprotein -7.96 N/A N/A N/A N/A
CAPSD_HCV77 Genome polyprotein -5.37 N/A N/A 24.56% CHEMBL3645761
CAPSD_HED68 Capsid protein VP0 -9.11 -9.62 N/A N/A N/A
CAPSD_ZIKV Core protein -6.95 -7.19 N/A N/A N/A
DPM_HHV1K DNA polymerase catalytic subunit -7.83 N/A N/A 17.13% CHEMBL481172
E1_9HEPC Envelope glycoprotein E1 -6.24 N/A N/A N/A N/A
E1_HCV77 Genome polyprotein -4.71 N/A N/A 24.56% CHEMBL3645761
E1_HCVJ1 Genome polyprotein -4.97 N/A N/A N/A N/A
E2_9HEPC Core protein precursor -8.27 N/A N/A N/A N/A
E2_HCV77 Genome polyprotein -5.94 N/A N/A 24.56% CHEMBL3645761
ENV_9FLAV Envelope protein E -4.85 N/A N/A N/A N/A
ENV_DEN1B Genome polyprotein -5.92 N/A N/A N/A N/A
ENV_DEN2P Genome polyprotein -6.90 N/A N/A N/A N/A
ENV_DEN3P Genome polyprotein -5.96 N/A N/A N/A N/A
ENV_HHV2H Envelope glycoprotein H -7.64 N/A N/A N/A N/A
ENV_ZIKV Core protein -5.53 N/A N/A N/A N/A
ENV_ZIKVK Genome polyprotein -5.31 N/A N/A N/A N/A
G1_ADNV Envelope polyprotein -4.68 -7.01 -7.16 N/A N/A
G2_ADNV Envelope polyprotein -7.78 -7.75 -6.09 N/A N/A
GB_HHV11 Envelope glycoprotein B -7.93 N/A N/A N/A N/A
GB_HHV1K Envelope glycoprotein B -7.53 -7.40 N/A N/A N/A
GD_9ALPH Glycoprotein D -7.42 -6.48 N/A N/A N/A
GD_HHV1 Glycoprotein D -6.23 N/A N/A N/A N/A
GP160_HIV1 Envelope glycoprotein gp160 -6.55 -6.86 -6.39 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -6.36 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -7.78 -8.18 -7.56 37.72% CHEMBL4640931
GP_LASSJ Pre-glycoprotein polyprotein GP complex -6.04 -5.94 N/A N/A N/A
HA_A-H10N7 Hemagglutinin -6.79 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -6.05 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -6.65 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -7.24 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -6.22 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -6.07 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -5.52 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -6.90 -7.05 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -5.93 -6.28 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -6.29 -6.25 -6.12 N/A N/A
HA_A-H3N8 Hemagglutinin -5.95 -6.14 -6.19 N/A N/A
HA_A-H5N1 Hemagglutinin -6.52 -6.80 -6.70 N/A N/A
HA_A-H5N3 Hemagglutinin -6.60 -6.02 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -6.05 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -6.40 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -6.17 -5.80 -5.94 N/A N/A
HA_A-H7N7 Hemagglutinin -6.06 -6.32 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -6.59 N/A N/A N/A N/A
HA_INFB Hemagglutinin -6.68 -6.47 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.40 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.48 -6.16 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -6.48 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -6.10 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -6.49 -6.53 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -8.76 -8.10 -8.05 N/A N/A
MD_MERs Replicase polyprotein 1a -8.69 -8.41 N/A N/A N/A
MEM_9FLAV Core protein -5.84 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -6.79 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 -6.61 N/A N/A N/A N/A
MX_9MONO Matrix protein VP40 -7.60 N/A N/A N/A N/A
MX_LASSJ RING finger protein Z -5.75 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -7.61 -7.59 -6.73 N/A N/A
NA_A-H11N9 Neuraminidase -7.77 -7.46 -7.54 N/A N/A
NA_A-H12N5 Neuraminidase -6.51 -7.06 -7.05 N/A N/A
NA_A-H13N9 Neuraminidase -6.12 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -6.75 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -6.74 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -7.01 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -7.23 -7.02 -7.24 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -7.20 -6.52 N/A N/A N/A
NA_A-H3N8 Neuraminidase -7.10 -7.45 -7.40 16.85% CHEMBL4287425
NA_A-H5N1 Neuraminidase -7.24 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -7.09 -7.02 -7.43 N/A N/A
NA_INFB Neuraminidase -6.86 -6.93 N/A 23.49% CHEMBL4161935
NP_9ADNV Nucleoprotein -5.24 -8.04 N/A N/A N/A
NP_A-H1N1 Nucleoprotein -6.71 -8.12 -6.37 N/A N/A
NP_A-H5N1 Nucleoprotein -6.91 N/A N/A N/A N/A
NP_EBOZM Nucleoprotein -7.48 -6.74 -6.58 N/A N/A
NP_HCoV-NL63 Nucleoprotein -6.80 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -8.96 -7.98 -7.50 34.78% CHEMBL3233481
NP_INFB Nucleoprotein -4.97 N/A N/A N/A N/A
NP_INFD NP -5.48 N/A N/A N/A N/A
NP_LASSJ Nucleoprotein -9.06 -9.14 -4.69 N/A N/A
NP_SARS Nucleoprotein -7.72 N/A N/A N/A N/A
NS1_9CALI NTPase -6.33 -5.19 -6.51 N/A N/A
NS1_9FLAV Non-structural protein 1 -6.24 N/A N/A N/A N/A
NS1_DEN1W Genome polyprotein -5.49 N/A N/A N/A N/A
NS1_ZIKV Core protein -4.62 -7.03 -6.57 N/A N/A
NS2A_9FLAV Core protein -5.25 N/A N/A N/A N/A
NS2B_DEN1W Genome polyprotein -7.23 N/A N/A N/A N/A
NS2B_DEN2P Genome polyprotein -7.97 -7.56 N/A N/A N/A
NS2B_ZIKV Genome polyprotein -8.36 -6.81 N/A N/A N/A
NS2B_ZIKVF Genome polyprotein -8.39 N/A N/A N/A N/A
NS3_9FLAV Core protein -8.51 N/A N/A N/A N/A
NS3_DEN4T Genome polyprotein -7.96 -7.71 N/A N/A N/A
NS3_HCV1A Genome polyprotein -6.39 -6.20 -8.06 24.56% CHEMBL3645761
NS3_HCV1B Genome polyprotein -7.16 -7.98 -6.43 19.89% CHEMBL3954962
NS3_HCV3A Genome polyprotein -7.01 -7.10 -7.27 N/A N/A
NS3_ZIKV Genome polyprotein -7.87 N/A N/A N/A N/A
NS5B_HCV1A Genome polyprotein -8.15 -9.06 -9.08 25.93% CHEMBL3644925
NS5B_HCV1B Genome polyprotein -8.54 -9.11 -9.40 25.67% CHEMBL3645183
NS5B_HCV2A Genome polyprotein -9.52 -9.58 N/A 31.88% CHEMBL3127326
NS5_9FLAV Core protein -7.87 N/A N/A N/A N/A
NS5_DEN3S Genome polyprotein -6.85 -8.43 N/A N/A N/A
NS5_ZIKV Genome polyprotein -8.02 -5.96 N/A N/A N/A
NS5_ZIKVF Genome polyprotein -8.01 N/A N/A N/A N/A
NS6_9CALI NTPase -5.72 -5.98 -6.25 N/A N/A
NSP15_SARS Replicase polyprotein 1ab -6.48 N/A N/A 16.13% CHEMBL3105073
NSP15_SARS2 Replicase polyprotein 1ab -7.02 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -6.85 -6.62 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -5.93 N/A N/A 16.13% CHEMBL3105073
NSP3_HCoV-229E Replicase polyprotein 1a -9.48 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -9.13 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -6.27 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -7.83 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -7.33 -6.42 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -7.24 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -7.97 -7.94 -7.61 N/A N/A
PA_A-H5N1 Polymerase acidic protein -7.75 -8.03 -7.37 N/A N/A
PA_INFA Polymerase acidic protein -8.64 -7.35 -7.49 33.88% CHEMBL2070214
PA_INFB Polymerase acidic protein -7.16 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -7.92 -7.85 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -7.11 -8.21 -7.42 N/A N/A
PB2_INFB Polymerase basic protein 2 -8.60 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -7.84 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -7.29 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -8.01 -8.66 -8.99 36.29% CHEMBL358279
PLP_SARS2 papain-like protease -6.07 N/A N/A N/A N/A
PM_9VIRU RNA-directed RNA polymerase L -8.04 -7.85 N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -7.62 N/A N/A 13.10% CHEMBL4214471
PR_HCoV-229E Replicase polyprotein 1a -7.39 -7.55 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -4.68 -7.62 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -6.66 -6.97 -7.00 13.66% CHEMBL523528
PR_HIV2 Gag-Pol polyprotein -7.73 -6.55 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -7.66 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -7.59 -8.26 -8.29 N/A N/A
PR_IBV Replicase polyprotein 1a -7.34 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -7.49 -7.87 N/A N/A N/A
PR_PEDV 3C-like proteinase -7.38 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -7.40 -6.83 -7.30 16.13% CHEMBL3105073
PR_SARS2 3C-like protease -7.78 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -7.55 N/A N/A N/A N/A
P_9CALI Norovirus P domain protein -7.99 N/A N/A N/A N/A
P_NVN68 Capsid protein VP1 -5.85 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -6.26 N/A N/A 10.42% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -9.50 -9.90 -10.89 22.56% CHEMBL4227382
SPIKE_HCoV-229E Spike glycoprotein -5.18 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 -6.88 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -6.99 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -5.96 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -6.44 -6.25 -5.37 N/A N/A
SPIKE_MHV Spike glycoprotein -6.46 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -6.33 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -6.35 -6.58 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -6.35 -6.90 -7.08 N/A N/A
VP1_9CALI Capsid protein -7.22 N/A N/A N/A N/A
VP1_NVN68 Capsid protein VP1 -6.86 N/A N/A N/A N/A
VP24_EBORE Membrane-associated protein VP24 -5.83 N/A N/A N/A N/A
VP24_EBOSU Membrane-associated protein VP24 -5.01 N/A N/A N/A N/A
VP24_EBOZM Membrane-associated protein VP24 -6.75 N/A N/A N/A N/A
VP30_9MONO Minor nucleoprotein VP30 -6.08 N/A N/A N/A N/A
VP30_EBOZ5 Transcriptional activator VP30 -6.47 N/A N/A N/A N/A
VP30_EBOZM Transcriptional activator VP30 -6.42 N/A N/A N/A N/A
VP35_EBORR Polymerase cofactor VP35 -6.95 N/A N/A N/A N/A
VP35_EBOZM Polymerase cofactor VP35 -6.50 -7.32 -7.31 N/A N/A
VP40_EBOZM Matrix protein VP40 -5.41 -5.40 N/A N/A N/A