JANZ-1 #389 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 -5.35 N/A N/A N/A N/A
2A_HE71M Genome polyprotein -5.52 N/A N/A N/A N/A
2C_HE71 Genome polyprotein -3.85 -4.17 N/A N/A N/A
3A_9ENTO Genome polyprotein -4.43 N/A N/A N/A N/A
3A_HE71M Genome polyprotein -4.39 N/A N/A N/A N/A
3A_HED68 Genome polyprotein -4.39 N/A N/A N/A N/A
3C_HE71 Genome polyprotein -4.85 -5.59 N/A N/A N/A
3C_HED68 Genome polyprotein -3.96 N/A N/A N/A N/A
3D_HE71 Genome polyprotein -6.20 N/A N/A N/A N/A
3D_HED68 Genome polyprotein -5.54 N/A N/A N/A N/A
ACE2_HUMAN angiotensin converting enzyme 2 -5.89 N/A N/A 7.94% CHEMBL401086
CAPSD_9CALI Capsid protein -5.26 -5.56 -6.00 N/A N/A
CAPSD_9ENTO Genome polyprotein -7.30 N/A N/A N/A N/A
CAPSD_DEN2P Genome polyprotein -6.45 N/A N/A N/A N/A
CAPSD_HCV77 Genome polyprotein -3.33 N/A N/A 11.65% CHEMBL3645729
CAPSD_HED68 Capsid protein VP0 -7.47 -7.02 N/A N/A N/A
CAPSD_ZIKV Core protein -5.46 -5.46 N/A N/A N/A
DPM_HHV1K DNA polymerase catalytic subunit -6.38 N/A N/A 20.00% CHEMBL29711
E1_9HEPC Envelope glycoprotein E1 -3.98 N/A N/A N/A N/A
E1_HCV77 Genome polyprotein -3.63 N/A N/A 11.65% CHEMBL3645729
E1_HCVJ1 Genome polyprotein -3.75 N/A N/A N/A N/A
E2_9HEPC Core protein precursor -6.14 N/A N/A N/A N/A
E2_HCV77 Genome polyprotein -4.42 N/A N/A 11.65% CHEMBL3645729
ENV_9FLAV Envelope protein E -3.62 N/A N/A N/A N/A
ENV_DEN1B Genome polyprotein -4.16 N/A N/A N/A N/A
ENV_DEN2P Genome polyprotein -4.67 N/A N/A N/A N/A
ENV_DEN3P Genome polyprotein -4.68 N/A N/A N/A N/A
ENV_HHV2H Envelope glycoprotein H -5.58 N/A N/A N/A N/A
ENV_ZIKV Core protein -3.97 N/A N/A N/A N/A
ENV_ZIKVK Genome polyprotein -3.82 N/A N/A N/A N/A
G1_ADNV Envelope polyprotein -3.41 -4.94 -4.86 N/A N/A
G2_ADNV Envelope polyprotein -5.08 -5.62 -4.39 N/A N/A
GB_HHV11 Envelope glycoprotein B -5.86 N/A N/A N/A N/A
GB_HHV1K Envelope glycoprotein B -5.98 -5.22 N/A N/A N/A
GD_9ALPH Glycoprotein D -5.07 -4.80 N/A N/A N/A
GD_HHV1 Glycoprotein D -4.73 N/A N/A N/A N/A
GP160_HIV1 Envelope glycoprotein gp160 -4.38 -4.48 -4.57 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -4.58 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -6.03 -5.88 -5.94 61.29% CHEMBL112570
GP_LASSJ Pre-glycoprotein polyprotein GP complex -4.58 -5.19 N/A N/A N/A
HA_A-H10N7 Hemagglutinin -5.64 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -5.16 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -5.30 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -4.60 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -5.19 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -3.93 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -3.69 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -5.20 -4.94 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -4.66 -4.37 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -4.77 -4.65 -4.32 N/A N/A
HA_A-H3N8 Hemagglutinin -4.63 -4.90 -4.91 N/A N/A
HA_A-H5N1 Hemagglutinin -4.97 -4.95 -5.06 N/A N/A
HA_A-H5N3 Hemagglutinin -5.36 -4.86 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -5.16 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -5.00 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -5.24 -4.80 -4.90 N/A N/A
HA_A-H7N7 Hemagglutinin -5.20 -4.99 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -5.10 N/A N/A N/A N/A
HA_INFB Hemagglutinin -4.75 -4.57 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -5.32 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -5.92 -5.46 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -4.77 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -4.96 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -4.63 -4.48 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -5.50 -5.84 -5.86 N/A N/A
MD_MERs Replicase polyprotein 1a -5.97 -5.92 N/A N/A N/A
MEM_9FLAV Core protein -4.50 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -4.17 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -5.03 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -5.88 N/A N/A N/A N/A
MX_9MONO Matrix protein VP40 -6.05 N/A N/A N/A N/A
MX_LASSJ RING finger protein Z -4.24 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -5.23 -5.39 -5.30 N/A N/A
NA_A-H11N9 Neuraminidase -6.08 -5.55 -5.74 N/A N/A
NA_A-H12N5 Neuraminidase -5.98 -5.36 -5.30 N/A N/A
NA_A-H13N9 Neuraminidase -5.87 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -4.81 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -4.75 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -6.27 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -5.38 -4.92 -5.20 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -4.66 -4.78 N/A N/A N/A
NA_A-H3N8 Neuraminidase -4.89 -6.11 -5.22 15.60% CHEMBL674
NA_A-H5N1 Neuraminidase -5.26 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -5.93 -5.81 -5.63 N/A N/A
NA_INFB Neuraminidase -5.23 -5.13 N/A 19.28% CHEMBL370047
NP_9ADNV Nucleoprotein -4.15 -6.16 N/A N/A N/A
NP_A-H1N1 Nucleoprotein -5.81 -5.63 -4.72 N/A N/A
NP_A-H5N1 Nucleoprotein -5.84 N/A N/A N/A N/A
NP_EBOZM Nucleoprotein -5.26 -4.39 -5.34 N/A N/A
NP_HCoV-NL63 Nucleoprotein -4.39 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -6.68 -6.19 -6.02 1.22% CHEMBL3233481
NP_INFB Nucleoprotein -3.86 N/A N/A N/A N/A
NP_INFD NP -4.10 N/A N/A N/A N/A
NP_LASSJ Nucleoprotein -7.19 -7.12 -3.74 N/A N/A
NP_SARS Nucleoprotein -5.48 N/A N/A N/A N/A
NS1_9CALI NTPase -4.84 -4.21 -4.60 N/A N/A
NS1_9FLAV Non-structural protein 1 -5.28 N/A N/A N/A N/A
NS1_DEN1W Genome polyprotein -4.07 N/A N/A N/A N/A
NS1_ZIKV Core protein -6.21 -5.58 -5.06 N/A N/A
NS2A_9FLAV Core protein -3.90 N/A N/A N/A N/A
NS2B_DEN1W Genome polyprotein -4.99 N/A N/A N/A N/A
NS2B_DEN2P Genome polyprotein -5.70 -5.11 N/A N/A N/A
NS2B_ZIKV Genome polyprotein -5.13 -5.26 N/A N/A N/A
NS2B_ZIKVF Genome polyprotein -5.25 N/A N/A N/A N/A
NS3_9FLAV Core protein -5.76 N/A N/A N/A N/A
NS3_DEN4T Genome polyprotein -6.13 -5.66 N/A N/A N/A
NS3_HCV1A Genome polyprotein -5.15 -4.65 -4.62 11.65% CHEMBL3645729
NS3_HCV1B Genome polyprotein -5.76 -5.53 -4.64 16.00% CHEMBL3927196
NS3_HCV3A Genome polyprotein -5.18 -5.36 -4.87 N/A N/A
NS3_ZIKV Genome polyprotein -5.37 N/A N/A N/A N/A
NS5B_HCV1A Genome polyprotein -5.53 -6.74 -6.60 14.96% CHEMBL3659510
NS5B_HCV1B Genome polyprotein -6.16 -6.13 -5.95 5.04% CHEMBL3645193
NS5B_HCV2A Genome polyprotein -6.82 -6.69 N/A 6.02% CHEMBL3127326
NS5_9FLAV Core protein -5.39 N/A N/A N/A N/A
NS5_DEN3S Genome polyprotein -4.91 -5.70 N/A N/A N/A
NS5_ZIKV Genome polyprotein -5.48 -4.55 N/A N/A N/A
NS5_ZIKVF Genome polyprotein -5.45 N/A N/A N/A N/A
NS6_9CALI NTPase -4.05 -4.34 -4.52 N/A N/A
NSP15_SARS Replicase polyprotein 1ab -4.61 N/A N/A 31.15% CHEMBL1092796
NSP15_SARS2 Replicase polyprotein 1ab -5.01 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -4.65 -4.39 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -4.38 N/A N/A 31.15% CHEMBL1092796
NSP3_HCoV-229E Replicase polyprotein 1a -6.48 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -6.12 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -5.39 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -5.42 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -5.97 -5.04 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -4.74 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -5.30 -5.32 -5.31 N/A N/A
PA_A-H5N1 Polymerase acidic protein -5.36 -5.20 -5.13 N/A N/A
PA_INFA Polymerase acidic protein -6.03 -4.88 -5.22 16.30% CHEMBL2040554
PA_INFB Polymerase acidic protein -4.94 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -5.85 -5.87 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -5.55 -5.63 -5.86 N/A N/A
PB2_INFB Polymerase basic protein 2 -5.96 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -5.96 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -5.67 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -6.56 -6.67 -6.72 11.36% CHEMBL213543
PLP_SARS2 papain-like protease -4.73 N/A N/A N/A N/A
PM_9VIRU RNA-directed RNA polymerase L -6.22 -5.17 N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -5.00 N/A N/A 5.83% CHEMBL4214066
PR_HCoV-229E Replicase polyprotein 1a -4.86 -4.54 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -4.60 -5.16 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -5.09 -5.11 -5.24 3.90% CHEMBL492666
PR_HIV2 Gag-Pol polyprotein -5.65 -4.83 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -4.40 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -4.82 -5.34 -5.01 N/A N/A
PR_IBV Replicase polyprotein 1a -5.15 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -5.05 -4.82 N/A N/A N/A
PR_PEDV 3C-like proteinase -5.07 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -5.12 -4.64 -4.82 31.15% CHEMBL1092796
PR_SARS2 3C-like protease -4.90 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -5.38 N/A N/A N/A N/A
P_9CALI Norovirus P domain protein -6.07 N/A N/A N/A N/A
P_NVN68 Capsid protein VP1 -4.01 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -4.58 N/A N/A 2.59% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -7.63 -7.74 -8.37 24.05% CHEMBL3775172
SPIKE_HCoV-229E Spike glycoprotein -4.02 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -4.33 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -4.43 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -4.58 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -5.09 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -4.93 -4.45 -4.20 N/A N/A
SPIKE_MHV Spike glycoprotein -4.93 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -5.05 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -4.62 -5.86 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -4.05 -4.89 -5.14 N/A N/A
VP1_9CALI Capsid protein -5.37 N/A N/A N/A N/A
VP1_NVN68 Capsid protein VP1 -4.69 N/A N/A N/A N/A
VP24_EBORE Membrane-associated protein VP24 -4.37 N/A N/A N/A N/A
VP24_EBOSU Membrane-associated protein VP24 -3.31 N/A N/A N/A N/A
VP24_EBOZM Membrane-associated protein VP24 -4.75 N/A N/A N/A N/A
VP30_9MONO Minor nucleoprotein VP30 -4.61 N/A N/A N/A N/A
VP30_EBOZ5 Transcriptional activator VP30 -5.58 N/A N/A N/A N/A
VP30_EBOZM Transcriptional activator VP30 -5.84 N/A N/A N/A N/A
VP35_EBORR Polymerase cofactor VP35 -5.07 N/A N/A N/A N/A
VP35_EBOZM Polymerase cofactor VP35 -4.75 -4.97 -4.88 N/A N/A
VP40_EBOZM Matrix protein VP40 -4.04 -3.91 N/A N/A N/A