111 #449 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 -6.87 N/A N/A N/A N/A
2A_HE71M Genome polyprotein -7.53 N/A N/A N/A N/A
2C_HE71 Genome polyprotein -6.44 -6.67 N/A N/A N/A
3A_9ENTO Genome polyprotein -6.05 N/A N/A N/A N/A
3A_HE71M Genome polyprotein -5.41 N/A N/A N/A N/A
3A_HED68 Genome polyprotein -5.51 N/A N/A N/A N/A
3C_HE71 Genome polyprotein -6.82 -6.07 N/A N/A N/A
3C_HED68 Genome polyprotein -5.93 N/A N/A N/A N/A
3D_HE71 Genome polyprotein -8.45 N/A N/A N/A N/A
3D_HED68 Genome polyprotein -8.46 N/A N/A N/A N/A
ACE2_HUMAN angiotensin converting enzyme 2 -9.44 N/A N/A 30.16% CHEMBL436639
CAPSD_9CALI Capsid protein -6.88 -6.95 -7.82 N/A N/A
CAPSD_9ENTO Genome polyprotein -6.73 N/A N/A N/A N/A
CAPSD_DEN2P Genome polyprotein -5.36 N/A N/A N/A N/A
CAPSD_HCV77 Genome polyprotein -5.60 N/A N/A 28.76% CHEMBL3891984
CAPSD_HED68 Capsid protein VP0 -6.57 -8.01 N/A N/A N/A
CAPSD_ZIKV Core protein -6.04 -5.88 N/A N/A N/A
DPM_HHV1K DNA polymerase catalytic subunit -8.07 N/A N/A 21.71% CHEMBL479371
E1_9HEPC Envelope glycoprotein E1 -5.63 N/A N/A N/A N/A
E1_HCV77 Genome polyprotein -4.40 N/A N/A 28.76% CHEMBL3891984
E1_HCVJ1 Genome polyprotein -5.18 N/A N/A N/A N/A
E2_9HEPC Core protein precursor -6.46 N/A N/A N/A N/A
E2_HCV77 Genome polyprotein -6.43 N/A N/A 28.76% CHEMBL3891984
ENV_9FLAV Envelope protein E -5.72 N/A N/A N/A N/A
ENV_DEN1B Genome polyprotein -5.48 N/A N/A N/A N/A
ENV_DEN2P Genome polyprotein -6.75 N/A N/A N/A N/A
ENV_DEN3P Genome polyprotein -6.63 N/A N/A N/A N/A
ENV_HHV2H Envelope glycoprotein H -7.17 N/A N/A N/A N/A
ENV_ZIKV Core protein -6.41 N/A N/A N/A N/A
ENV_ZIKVK Genome polyprotein -6.75 N/A N/A N/A N/A
G1_ADNV Envelope polyprotein -4.23 -6.55 -6.30 N/A N/A
G2_ADNV Envelope polyprotein -8.17 -7.13 -7.08 N/A N/A
GB_HHV11 Envelope glycoprotein B -7.09 N/A N/A N/A N/A
GB_HHV1K Envelope glycoprotein B -6.59 -7.57 N/A N/A N/A
GD_9ALPH Glycoprotein D -7.41 -6.10 N/A N/A N/A
GD_HHV1 Glycoprotein D -7.02 N/A N/A N/A N/A
GP160_HIV1 Envelope glycoprotein gp160 -6.60 -6.54 -6.84 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -6.94 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -7.23 -6.30 -7.20 33.95% CHEMBL3125899
GP_LASSJ Pre-glycoprotein polyprotein GP complex -6.22 -6.27 N/A N/A N/A
HA_A-H10N7 Hemagglutinin -6.86 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -6.40 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -7.52 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -6.87 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -6.84 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -6.41 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -6.28 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -6.34 -6.28 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -6.55 -6.77 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -6.73 -6.99 -6.33 N/A N/A
HA_A-H3N8 Hemagglutinin -6.02 -6.00 -6.43 N/A N/A
HA_A-H5N1 Hemagglutinin -6.68 -7.25 -6.90 N/A N/A
HA_A-H5N3 Hemagglutinin -6.53 -6.70 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -6.40 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -6.73 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -5.87 -6.02 -5.90 N/A N/A
HA_A-H7N7 Hemagglutinin -6.31 -6.72 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -6.55 N/A N/A N/A N/A
HA_INFB Hemagglutinin -6.81 -6.90 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.12 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -5.95 -6.32 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -6.16 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -6.05 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -5.10 -5.18 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -6.70 -6.25 -5.87 N/A N/A
MD_MERs Replicase polyprotein 1a -6.38 -7.78 N/A N/A N/A
MEM_9FLAV Core protein -5.52 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -7.13 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -8.34 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -2.55 N/A N/A N/A N/A
MX_9MONO Matrix protein VP40 -8.27 N/A N/A N/A N/A
MX_LASSJ RING finger protein Z -6.20 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -8.31 -8.22 -8.10 N/A N/A
NA_A-H11N9 Neuraminidase -7.44 -8.16 -8.08 N/A N/A
NA_A-H12N5 Neuraminidase -7.80 -8.48 -8.36 N/A N/A
NA_A-H13N9 Neuraminidase -6.68 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -7.27 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -6.89 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -8.24 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -8.29 -8.79 -7.72 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -7.87 -7.41 N/A N/A N/A
NA_A-H3N8 Neuraminidase -8.31 -8.86 -8.42 34.66% CHEMBL4285767
NA_A-H5N1 Neuraminidase -8.46 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -8.22 -8.31 -8.33 N/A N/A
NA_INFB Neuraminidase -8.09 -7.50 N/A 36.47% CHEMBL4175983
NP_9ADNV Nucleoprotein -5.30 -7.04 N/A N/A N/A
NP_A-H1N1 Nucleoprotein -6.76 -5.80 -5.71 N/A N/A
NP_A-H5N1 Nucleoprotein -5.99 N/A N/A N/A N/A
NP_EBOZM Nucleoprotein -6.76 -6.38 -7.09 N/A N/A
NP_HCoV-NL63 Nucleoprotein -7.32 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -6.97 -6.64 -6.79 12.39% CHEMBL3233481
NP_INFB Nucleoprotein -5.89 N/A N/A N/A N/A
NP_INFD NP -5.57 N/A N/A N/A N/A
NP_LASSJ Nucleoprotein -9.13 -8.34 -5.77 N/A N/A
NP_SARS Nucleoprotein -6.80 N/A N/A N/A N/A
NS1_9CALI NTPase -5.31 -5.75 -6.66 N/A N/A
NS1_9FLAV Non-structural protein 1 -5.80 N/A N/A N/A N/A
NS1_DEN1W Genome polyprotein -5.79 N/A N/A N/A N/A
NS1_ZIKV Core protein 7.13 -6.07 -7.73 N/A N/A
NS2A_9FLAV Core protein -4.45 N/A N/A N/A N/A
NS2B_DEN1W Genome polyprotein -7.35 N/A N/A N/A N/A
NS2B_DEN2P Genome polyprotein -6.63 -6.58 N/A N/A N/A
NS2B_ZIKV Genome polyprotein -7.20 -7.57 N/A N/A N/A
NS2B_ZIKVF Genome polyprotein -7.26 N/A N/A N/A N/A
NS3_9FLAV Core protein -9.08 N/A N/A N/A N/A
NS3_DEN4T Genome polyprotein -9.35 -8.81 N/A N/A N/A
NS3_HCV1A Genome polyprotein -6.51 -6.99 -6.54 28.76% CHEMBL3891984
NS3_HCV1B Genome polyprotein -7.46 -7.03 -7.29 30.86% CHEMBL297884
NS3_HCV3A Genome polyprotein -6.62 -6.23 -6.70 N/A N/A
NS3_ZIKV Genome polyprotein -7.81 N/A N/A N/A N/A
NS5B_HCV1A Genome polyprotein -8.43 -8.32 -8.12 28.90% CHEMBL3644934
NS5B_HCV1B Genome polyprotein -8.17 -6.59 -6.35 32.69% CHEMBL3645202
NS5B_HCV2A Genome polyprotein -8.49 -5.19 N/A 27.89% CHEMBL3127326
NS5_9FLAV Core protein -8.30 N/A N/A N/A N/A
NS5_DEN3S Genome polyprotein -7.67 -8.20 N/A N/A N/A
NS5_ZIKV Genome polyprotein -7.83 -6.25 N/A N/A N/A
NS5_ZIKVF Genome polyprotein -8.28 N/A N/A N/A N/A
NS6_9CALI NTPase -4.98 -5.49 -6.73 N/A N/A
NSP15_SARS Replicase polyprotein 1ab -7.12 N/A N/A 24.90% CHEMBL2441745
NSP15_SARS2 Replicase polyprotein 1ab -6.59 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -5.85 -6.06 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -6.50 N/A N/A 24.90% CHEMBL2441745
NSP3_HCoV-229E Replicase polyprotein 1a -7.39 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -6.87 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -5.25 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -6.18 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -6.63 -5.77 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -8.24 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -7.87 -7.94 -9.04 N/A N/A
PA_A-H5N1 Polymerase acidic protein -8.25 -7.81 -7.78 N/A N/A
PA_INFA Polymerase acidic protein -8.33 -8.17 -7.99 35.91% CHEMBL278402
PA_INFB Polymerase acidic protein -7.45 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -7.16 -7.32 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -7.44 -6.87 -7.28 N/A N/A
PB2_INFB Polymerase basic protein 2 -6.68 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -7.32 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -7.52 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -6.65 -6.62 -7.38 29.25% CHEMBL213543
PLP_SARS2 papain-like protease -7.45 N/A N/A N/A N/A
PM_9VIRU RNA-directed RNA polymerase L -7.43 -8.20 N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -7.61 N/A N/A 25.57% CHEMBL4214471
PR_HCoV-229E Replicase polyprotein 1a -7.36 -6.90 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -5.02 -6.91 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -6.91 -7.31 -8.14 23.26% CHEMBL512807
PR_HIV2 Gag-Pol polyprotein -7.37 -6.40 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -6.49 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -7.12 -6.80 -6.60 N/A N/A
PR_IBV Replicase polyprotein 1a -7.12 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -7.05 -6.94 N/A N/A N/A
PR_PEDV 3C-like proteinase -7.41 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -7.80 -8.02 -6.45 24.90% CHEMBL2441745
PR_SARS2 3C-like protease -7.50 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -7.46 N/A N/A N/A N/A
P_9CALI Norovirus P domain protein -6.74 N/A N/A N/A N/A
P_NVN68 Capsid protein VP1 -5.31 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -6.78 N/A N/A 23.85% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -6.71 -5.80 -6.52 39.81% CHEMBL4227382
SPIKE_HCoV-229E Spike glycoprotein -5.69 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -5.89 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -7.60 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -7.62 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -6.01 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -7.07 -6.52 -5.70 N/A N/A
SPIKE_MHV Spike glycoprotein -7.54 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -6.53 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -6.62 -7.19 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -6.04 -6.18 -6.38 N/A N/A
VP1_9CALI Capsid protein -6.78 N/A N/A N/A N/A
VP1_NVN68 Capsid protein VP1 -6.43 N/A N/A N/A N/A
VP24_EBORE Membrane-associated protein VP24 -5.85 N/A N/A N/A N/A
VP24_EBOSU Membrane-associated protein VP24 -5.43 N/A N/A N/A N/A
VP24_EBOZM Membrane-associated protein VP24 -6.30 N/A N/A N/A N/A
VP30_9MONO Minor nucleoprotein VP30 -6.20 N/A N/A N/A N/A
VP30_EBOZ5 Transcriptional activator VP30 -6.40 N/A N/A N/A N/A
VP30_EBOZM Transcriptional activator VP30 -6.31 N/A N/A N/A N/A
VP35_EBORR Polymerase cofactor VP35 -6.02 N/A N/A N/A N/A
VP35_EBOZM Polymerase cofactor VP35 -6.70 -5.98 -6.23 N/A N/A
VP40_EBOZM Matrix protein VP40 -5.39 -5.02 N/A N/A N/A