test #572 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 -5.22 N/A N/A N/A N/A
2A_HE71M Genome polyprotein -5.37 N/A N/A N/A N/A
2C_HE71 Genome polyprotein -4.23 -4.67 N/A N/A N/A
3A_9ENTO Genome polyprotein -3.69 N/A N/A N/A N/A
3A_HE71M Genome polyprotein -3.48 N/A N/A N/A N/A
3A_HED68 Genome polyprotein -3.16 N/A N/A N/A N/A
3C_HE71 Genome polyprotein -3.89 -4.37 N/A N/A N/A
3C_HED68 Genome polyprotein -3.87 N/A N/A N/A N/A
3D_HE71 Genome polyprotein -4.83 N/A N/A N/A N/A
3D_HED68 Genome polyprotein -5.33 N/A N/A N/A N/A
ACE2_HUMAN angiotensin converting enzyme 2 -5.54 N/A N/A 4.92% CHEMBL401086
CAPSD_9CALI Capsid protein -5.09 -5.47 -4.77 N/A N/A
CAPSD_9ENTO Genome polyprotein -5.44 N/A N/A N/A N/A
CAPSD_DEN2P Genome polyprotein -3.76 N/A N/A N/A N/A
CAPSD_HCV77 Genome polyprotein -3.50 N/A N/A 6.25% CHEMBL3645767
CAPSD_HED68 Capsid protein VP0 -4.93 -5.02 N/A N/A N/A
CAPSD_ZIKV Core protein -3.37 -3.78 N/A N/A N/A
DPM_HHV1K DNA polymerase catalytic subunit -4.39 N/A N/A 2.97% CHEMBL481172
E1_9HEPC Envelope glycoprotein E1 -3.63 N/A N/A N/A N/A
E1_HCV77 Genome polyprotein -2.64 N/A N/A 6.25% CHEMBL3645767
E1_HCVJ1 Genome polyprotein -3.20 N/A N/A N/A N/A
E2_9HEPC Core protein precursor -5.49 N/A N/A N/A N/A
E2_HCV77 Genome polyprotein -3.87 N/A N/A 6.25% CHEMBL3645767
ENV_9FLAV Envelope protein E -3.79 N/A N/A N/A N/A
ENV_DEN1B Genome polyprotein -3.94 N/A N/A N/A N/A
ENV_DEN2P Genome polyprotein -4.59 N/A N/A N/A N/A
ENV_DEN3P Genome polyprotein -4.09 N/A N/A N/A N/A
ENV_HHV2H Envelope glycoprotein H -4.69 N/A N/A N/A N/A
ENV_ZIKV Core protein -4.42 N/A N/A N/A N/A
ENV_ZIKVK Genome polyprotein -4.83 N/A N/A N/A N/A
G1_ADNV Envelope polyprotein -3.43 -4.75 -4.57 N/A N/A
G2_ADNV Envelope polyprotein -5.68 -4.90 -4.84 N/A N/A
GB_HHV11 Envelope glycoprotein B -5.21 N/A N/A N/A N/A
GB_HHV1K Envelope glycoprotein B -4.51 -5.21 N/A N/A N/A
GD_9ALPH Glycoprotein D -4.51 -4.89 N/A N/A N/A
GD_HHV1 Glycoprotein D -4.34 N/A N/A N/A N/A
GP160_HIV1 Envelope glycoprotein gp160 -4.83 -5.82 -4.04 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -5.49 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -5.01 -4.20 -4.19 3.52% CHEMBL3125895
GP_LASSJ Pre-glycoprotein polyprotein GP complex -4.41 -4.63 N/A N/A N/A
HA_A-H10N7 Hemagglutinin -4.33 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -3.98 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -4.76 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -4.87 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -4.75 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -4.30 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -4.32 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -4.59 -4.33 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -5.14 -4.49 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -4.99 -4.72 -4.61 N/A N/A
HA_A-H3N8 Hemagglutinin -4.11 -4.95 -4.58 N/A N/A
HA_A-H5N1 Hemagglutinin -4.86 -4.83 -4.71 N/A N/A
HA_A-H5N3 Hemagglutinin -4.39 -5.06 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -3.98 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -4.30 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -4.22 -3.86 -4.31 N/A N/A
HA_A-H7N7 Hemagglutinin -4.19 -4.43 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -4.51 N/A N/A N/A N/A
HA_INFB Hemagglutinin -4.55 -4.71 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -3.90 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -5.60 -5.32 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -3.85 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -4.30 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -3.25 -3.76 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -5.07 -4.79 -4.77 N/A N/A
MD_MERs Replicase polyprotein 1a -5.01 -4.68 N/A N/A N/A
MEM_9FLAV Core protein -3.90 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -4.27 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -4.69 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -5.76 N/A N/A N/A N/A
MX_9MONO Matrix protein VP40 -4.61 N/A N/A N/A N/A
MX_LASSJ RING finger protein Z -3.91 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -5.49 -5.31 -5.20 N/A N/A
NA_A-H11N9 Neuraminidase -4.40 -5.20 -5.34 N/A N/A
NA_A-H12N5 Neuraminidase -5.35 -5.43 -5.30 N/A N/A
NA_A-H13N9 Neuraminidase -4.70 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -4.12 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -3.95 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -5.17 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -5.08 -5.20 -5.14 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -4.65 -4.68 N/A N/A N/A
NA_A-H3N8 Neuraminidase -5.15 -5.37 -4.92 5.78% CHEMBL222813
NA_A-H5N1 Neuraminidase -5.34 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -5.21 -5.33 -5.33 N/A N/A
NA_INFB Neuraminidase -5.07 -5.47 N/A 11.43% CHEMBL335808
NP_9ADNV Nucleoprotein -3.78 -5.25 N/A N/A N/A
NP_A-H1N1 Nucleoprotein -3.80 -4.88 -5.20 N/A N/A
NP_A-H5N1 Nucleoprotein -4.82 N/A N/A N/A N/A
NP_EBOZM Nucleoprotein -4.03 -4.49 -4.57 N/A N/A
NP_HCoV-NL63 Nucleoprotein -4.63 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -4.48 -4.61 -4.63 2.60% CHEMBL3233481
NP_INFB Nucleoprotein -4.04 N/A N/A N/A N/A
NP_INFD NP -3.50 N/A N/A N/A N/A
NP_LASSJ Nucleoprotein -5.55 -5.06 -3.28 N/A N/A
NP_SARS Nucleoprotein -4.83 N/A N/A N/A N/A
NS1_9CALI NTPase -4.02 -3.78 -4.13 N/A N/A
NS1_9FLAV Non-structural protein 1 -4.09 N/A N/A N/A N/A
NS1_DEN1W Genome polyprotein -4.05 N/A N/A N/A N/A
NS1_ZIKV Core protein -5.15 -4.66 -4.82 N/A N/A
NS2A_9FLAV Core protein -3.03 N/A N/A N/A N/A
NS2B_DEN1W Genome polyprotein -4.52 N/A N/A N/A N/A
NS2B_DEN2P Genome polyprotein -4.48 -4.55 N/A N/A N/A
NS2B_ZIKV Genome polyprotein -4.97 -4.63 N/A N/A N/A
NS2B_ZIKVF Genome polyprotein -4.63 N/A N/A N/A N/A
NS3_9FLAV Core protein -4.79 N/A N/A N/A N/A
NS3_DEN4T Genome polyprotein -4.99 -5.02 N/A N/A N/A
NS3_HCV1A Genome polyprotein -4.82 -4.96 -4.66 6.25% CHEMBL3645767
NS3_HCV1B Genome polyprotein -4.95 -4.51 -4.52 4.40% CHEMBL3921185
NS3_HCV3A Genome polyprotein -4.69 -4.80 -4.72 N/A N/A
NS3_ZIKV Genome polyprotein -5.20 N/A N/A N/A N/A
NS5B_HCV1A Genome polyprotein -5.46 -5.03 -5.06 3.97% CHEMBL13256
NS5B_HCV1B Genome polyprotein -4.37 -4.51 -4.61 3.86% CHEMBL3645196
NS5B_HCV2A Genome polyprotein -5.18 -5.45 N/A 2.24% CHEMBL3127326
NS5_9FLAV Core protein -4.75 N/A N/A N/A N/A
NS5_DEN3S Genome polyprotein -4.23 -4.29 N/A N/A N/A
NS5_ZIKV Genome polyprotein -4.99 -3.94 N/A N/A N/A
NS5_ZIKVF Genome polyprotein -5.07 N/A N/A N/A N/A
NS6_9CALI NTPase -3.12 -5.34 -4.32 N/A N/A
NSP15_SARS Replicase polyprotein 1ab -4.46 N/A N/A 3.05% CHEMBL3105073
NSP15_SARS2 Replicase polyprotein 1ab -4.56 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -3.35 -4.14 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -4.59 N/A N/A 3.05% CHEMBL3105073
NSP3_HCoV-229E Replicase polyprotein 1a -4.70 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -5.01 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -4.99 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -4.34 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -3.60 -3.87 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -5.02 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -4.36 -4.82 -4.65 N/A N/A
PA_A-H5N1 Polymerase acidic protein -5.17 -5.19 -5.03 N/A N/A
PA_INFA Polymerase acidic protein -4.97 -4.52 -5.04 3.60% CHEMBL278402
PA_INFB Polymerase acidic protein -4.72 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -4.37 -4.35 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -4.35 -4.57 -4.58 N/A N/A
PB2_INFB Polymerase basic protein 2 -4.50 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -4.38 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -4.54 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -5.38 -5.66 -5.37 3.10% CHEMBL213054
PLP_SARS2 papain-like protease -4.98 N/A N/A N/A N/A
PM_9VIRU RNA-directed RNA polymerase L -5.37 -5.25 N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -4.17 N/A N/A 2.94% CHEMBL4214066
PR_HCoV-229E Replicase polyprotein 1a -4.27 -3.97 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -3.54 -4.79 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -3.83 -3.89 -3.81 2.45% CHEMBL450294
PR_HIV2 Gag-Pol polyprotein -3.90 -3.68 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -4.95 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -4.52 -4.71 -4.69 N/A N/A
PR_IBV Replicase polyprotein 1a -4.01 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -4.54 -5.00 N/A N/A N/A
PR_PEDV 3C-like proteinase -4.66 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -4.34 -4.96 -4.54 3.05% CHEMBL3105073
PR_SARS2 3C-like protease -4.91 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -4.29 N/A N/A N/A N/A
P_9CALI Norovirus P domain protein -5.06 N/A N/A N/A N/A
P_NVN68 Capsid protein VP1 -4.23 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -5.22 N/A N/A 1.87% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -4.74 -5.06 -5.09 4.72% CHEMBL4114220
SPIKE_HCoV-229E Spike glycoprotein -3.51 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -3.48 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -4.42 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -4.42 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -4.08 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -4.44 -4.73 -4.25 N/A N/A
SPIKE_MHV Spike glycoprotein -4.24 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -4.10 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -4.40 -4.81 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -4.23 -4.14 -4.63 N/A N/A
VP1_9CALI Capsid protein -5.08 N/A N/A N/A N/A
VP1_NVN68 Capsid protein VP1 -3.55 N/A N/A N/A N/A
VP24_EBORE Membrane-associated protein VP24 -4.15 N/A N/A N/A N/A
VP24_EBOSU Membrane-associated protein VP24 -4.16 N/A N/A N/A N/A
VP24_EBOZM Membrane-associated protein VP24 -3.79 N/A N/A N/A N/A
VP30_9MONO Minor nucleoprotein VP30 -4.29 N/A N/A N/A N/A
VP30_EBOZ5 Transcriptional activator VP30 -4.22 N/A N/A N/A N/A
VP30_EBOZM Transcriptional activator VP30 -4.49 N/A N/A N/A N/A
VP35_EBORR Polymerase cofactor VP35 -3.53 N/A N/A N/A N/A
VP35_EBOZM Polymerase cofactor VP35 -3.68 -3.84 -4.07 N/A N/A
VP40_EBOZM Matrix protein VP40 -4.21 -4.10 N/A N/A N/A