new test #558 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 -4.09 N/A N/A N/A N/A
2A_HE71M Genome polyprotein -3.81 N/A N/A N/A N/A
2C_HE71 Genome polyprotein -2.81 -3.18 N/A N/A N/A
3A_9ENTO Genome polyprotein -3.48 N/A N/A N/A N/A
3A_HE71M Genome polyprotein -3.01 N/A N/A N/A N/A
3A_HED68 Genome polyprotein -3.15 N/A N/A N/A N/A
3C_HE71 Genome polyprotein -3.35 -3.95 N/A N/A N/A
3C_HED68 Genome polyprotein -2.80 N/A N/A N/A N/A
3D_HE71 Genome polyprotein -4.90 N/A N/A N/A N/A
3D_HED68 Genome polyprotein -3.61 N/A N/A N/A N/A
ACE2_HUMAN angiotensin converting enzyme 2 -4.19 N/A N/A 7.89% CHEMBL258333
CAPSD_9CALI Capsid protein -4.88 -4.15 -3.86 N/A N/A
CAPSD_9ENTO Genome polyprotein -4.87 N/A N/A N/A N/A
CAPSD_DEN2P Genome polyprotein -4.19 N/A N/A N/A N/A
CAPSD_HCV77 Genome polyprotein -2.35 N/A N/A 8.82% CHEMBL4110799
CAPSD_HED68 Capsid protein VP0 -4.72 -4.56 N/A N/A N/A
CAPSD_ZIKV Core protein -4.62 -3.66 N/A N/A N/A
DPM_HHV1K DNA polymerase catalytic subunit -4.65 N/A N/A 3.11% CHEMBL481172
E1_9HEPC Envelope glycoprotein E1 -3.07 N/A N/A N/A N/A
E1_HCV77 Genome polyprotein -3.05 N/A N/A 8.82% CHEMBL4110799
E1_HCVJ1 Genome polyprotein -2.72 N/A N/A N/A N/A
E2_9HEPC Core protein precursor -3.69 N/A N/A N/A N/A
E2_HCV77 Genome polyprotein -3.71 N/A N/A 8.82% CHEMBL4110799
ENV_9FLAV Envelope protein E -2.74 N/A N/A N/A N/A
ENV_DEN1B Genome polyprotein -2.76 N/A N/A N/A N/A
ENV_DEN2P Genome polyprotein -3.78 N/A N/A N/A N/A
ENV_DEN3P Genome polyprotein -3.45 N/A N/A N/A N/A
ENV_HHV2H Envelope glycoprotein H -3.61 N/A N/A N/A N/A
ENV_ZIKV Core protein -2.84 N/A N/A N/A N/A
ENV_ZIKVK Genome polyprotein -2.89 N/A N/A N/A N/A
G1_ADNV Envelope polyprotein -2.69 -3.62 -3.43 N/A N/A
G2_ADNV Envelope polyprotein -3.58 -4.00 -3.02 N/A N/A
GB_HHV11 Envelope glycoprotein B -4.25 N/A N/A N/A N/A
GB_HHV1K Envelope glycoprotein B -4.10 -3.68 N/A N/A N/A
GD_9ALPH Glycoprotein D -3.43 -3.43 N/A N/A N/A
GD_HHV1 Glycoprotein D -3.42 N/A N/A N/A N/A
GP160_HIV1 Envelope glycoprotein gp160 -3.37 -5.04 -4.47 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -3.25 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -3.92 -4.31 -4.04 7.59% CHEMBL1655
GP_LASSJ Pre-glycoprotein polyprotein GP complex -3.34 -3.09 N/A N/A N/A
HA_A-H10N7 Hemagglutinin -3.52 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -3.36 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -3.30 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -3.05 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -3.27 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -3.31 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -2.88 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -3.34 -3.12 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -3.09 -3.29 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -3.20 -3.14 -3.04 N/A N/A
HA_A-H3N8 Hemagglutinin -3.12 -3.19 -3.13 N/A N/A
HA_A-H5N1 Hemagglutinin -3.52 -3.92 -3.80 N/A N/A
HA_A-H5N3 Hemagglutinin -3.53 -3.37 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -3.36 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -3.28 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -3.36 -2.94 -3.33 N/A N/A
HA_A-H7N7 Hemagglutinin -3.50 -3.30 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -3.12 N/A N/A N/A N/A
HA_INFB Hemagglutinin -3.38 -3.27 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -3.61 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -4.03 -3.89 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -2.87 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -3.40 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -3.13 -2.97 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -4.71 -4.82 -4.75 N/A N/A
MD_MERs Replicase polyprotein 1a -4.29 -4.44 N/A N/A N/A
MEM_9FLAV Core protein -3.19 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -3.51 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -3.57 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -4.12 N/A N/A N/A N/A
MX_9MONO Matrix protein VP40 -4.08 N/A N/A N/A N/A
MX_LASSJ RING finger protein Z -2.82 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -3.54 -3.54 -3.51 N/A N/A
NA_A-H11N9 Neuraminidase -3.13 -3.77 -4.23 N/A N/A
NA_A-H12N5 Neuraminidase -4.33 -3.49 -3.49 N/A N/A
NA_A-H13N9 Neuraminidase -4.58 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -3.29 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -3.09 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -4.74 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -3.71 -3.47 -3.46 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -3.65 -3.29 N/A N/A N/A
NA_A-H3N8 Neuraminidase -3.50 -4.76 -3.31 4.32% CHEMBL4285767
NA_A-H5N1 Neuraminidase -4.70 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -4.05 -3.97 -4.20 N/A N/A
NA_INFB Neuraminidase -3.58 -3.83 N/A 5.04% CHEMBL113191
NP_9ADNV Nucleoprotein -2.97 -4.11 N/A N/A N/A
NP_A-H1N1 Nucleoprotein -3.90 -4.90 -3.89 N/A N/A
NP_A-H5N1 Nucleoprotein -3.98 N/A N/A N/A N/A
NP_EBOZM Nucleoprotein -3.98 -2.87 -3.61 N/A N/A
NP_HCoV-NL63 Nucleoprotein -2.88 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -4.61 -4.69 -4.07 9.38% CHEMBL3233481
NP_INFB Nucleoprotein -2.96 N/A N/A N/A N/A
NP_INFD NP -3.14 N/A N/A N/A N/A
NP_LASSJ Nucleoprotein -4.57 -4.93 -2.26 N/A N/A
NP_SARS Nucleoprotein -3.44 N/A N/A N/A N/A
NS1_9CALI NTPase -3.52 -2.82 -3.12 N/A N/A
NS1_9FLAV Non-structural protein 1 -3.53 N/A N/A N/A N/A
NS1_DEN1W Genome polyprotein -3.02 N/A N/A N/A N/A
NS1_ZIKV Core protein -3.97 -3.95 -3.33 N/A N/A
NS2A_9FLAV Core protein -2.96 N/A N/A N/A N/A
NS2B_DEN1W Genome polyprotein -3.30 N/A N/A N/A N/A
NS2B_DEN2P Genome polyprotein -3.94 -3.56 N/A N/A N/A
NS2B_ZIKV Genome polyprotein -3.97 -3.68 N/A N/A N/A
NS2B_ZIKVF Genome polyprotein -4.28 N/A N/A N/A N/A
NS3_9FLAV Core protein -3.84 N/A N/A N/A N/A
NS3_DEN4T Genome polyprotein -3.79 -3.56 N/A N/A N/A
NS3_HCV1A Genome polyprotein -4.08 -3.45 -3.40 8.82% CHEMBL4110799
NS3_HCV1B Genome polyprotein -4.14 -4.01 -3.67 2.86% CHEMBL1170408
NS3_HCV3A Genome polyprotein -3.51 -3.65 -3.44 N/A N/A
NS3_ZIKV Genome polyprotein -4.05 N/A N/A N/A N/A
NS5B_HCV1A Genome polyprotein -4.11 -4.99 -4.84 7.14% CHEMBL175894
NS5B_HCV1B Genome polyprotein -4.55 -4.88 -4.87 23.08% CHEMBL99408
NS5B_HCV2A Genome polyprotein -4.69 -4.66 N/A 4.92% CHEMBL3127326
NS5_9FLAV Core protein -3.98 N/A N/A N/A N/A
NS5_DEN3S Genome polyprotein -3.46 -4.28 N/A N/A N/A
NS5_ZIKV Genome polyprotein -4.02 -3.00 N/A N/A N/A
NS5_ZIKVF Genome polyprotein -4.00 N/A N/A N/A N/A
NS6_9CALI NTPase -3.22 -3.27 -3.12 N/A N/A
NSP15_SARS Replicase polyprotein 1ab -3.29 N/A N/A 17.14% CHEMBL471187
NSP15_SARS2 Replicase polyprotein 1ab -3.33 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -3.63 -3.40 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -2.94 N/A N/A 17.14% CHEMBL471187
NSP3_HCoV-229E Replicase polyprotein 1a -4.66 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -4.88 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -3.77 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -3.74 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -4.23 -4.61 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -3.26 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -4.19 -4.22 -3.72 N/A N/A
PA_A-H5N1 Polymerase acidic protein -3.76 -3.78 -3.75 N/A N/A
PA_INFA Polymerase acidic protein -5.04 -3.19 -3.69 9.84% CHEMBL1829211
PA_INFB Polymerase acidic protein -3.77 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -4.21 -4.32 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -4.07 -4.03 -4.12 N/A N/A
PB2_INFB Polymerase basic protein 2 -4.43 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -4.26 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -4.05 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -4.71 -4.68 -4.68 7.89% CHEMBL212454
PLP_SARS2 papain-like protease -3.56 N/A N/A N/A N/A
PM_9VIRU RNA-directed RNA polymerase L -4.15 -3.72 N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -3.52 N/A N/A 4.62% CHEMBL4214471
PR_HCoV-229E Replicase polyprotein 1a -3.34 -3.28 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -3.22 -3.66 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -3.19 -3.59 -3.65 4.26% CHEMBL492666
PR_HIV2 Gag-Pol polyprotein -3.99 -3.33 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -3.14 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -3.28 -3.78 -3.78 N/A N/A
PR_IBV Replicase polyprotein 1a -3.32 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -3.51 -3.58 N/A N/A N/A
PR_PEDV 3C-like proteinase -3.67 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -3.06 -3.20 -3.45 17.14% CHEMBL471187
PR_SARS2 3C-like protease -3.41 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -3.21 N/A N/A N/A N/A
P_9CALI Norovirus P domain protein -4.32 N/A N/A N/A N/A
P_NVN68 Capsid protein VP1 -3.12 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -3.59 N/A N/A 2.33% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -4.91 -5.37 -5.51 7.59% CHEMBL3775172
SPIKE_HCoV-229E Spike glycoprotein -2.70 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -3.32 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -3.51 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -3.60 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -3.55 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -3.42 -3.41 -3.34 N/A N/A
SPIKE_MHV Spike glycoprotein -3.27 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -3.43 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -3.16 -3.82 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -3.47 -3.10 -3.77 N/A N/A
VP1_9CALI Capsid protein -3.77 N/A N/A N/A N/A
VP1_NVN68 Capsid protein VP1 -3.05 N/A N/A N/A N/A
VP24_EBORE Membrane-associated protein VP24 -3.39 N/A N/A N/A N/A
VP24_EBOSU Membrane-associated protein VP24 -3.29 N/A N/A N/A N/A
VP24_EBOZM Membrane-associated protein VP24 -3.01 N/A N/A N/A N/A
VP30_9MONO Minor nucleoprotein VP30 -3.17 N/A N/A N/A N/A
VP30_EBOZ5 Transcriptional activator VP30 -3.94 N/A N/A N/A N/A
VP30_EBOZM Transcriptional activator VP30 -3.99 N/A N/A N/A N/A
VP35_EBORR Polymerase cofactor VP35 -3.64 N/A N/A N/A N/A
VP35_EBOZM Polymerase cofactor VP35 -3.43 -3.81 -4.08 N/A N/A
VP40_EBOZM Matrix protein VP40 -3.49 -3.45 N/A N/A N/A