docking 1 #361 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 -7.86 N/A N/A N/A N/A
2A_HE71M Genome polyprotein -7.76 N/A N/A N/A N/A
2C_HE71 Genome polyprotein -5.63 -6.76 N/A N/A N/A
3A_9ENTO Genome polyprotein -6.13 N/A N/A N/A N/A
3A_HE71M Genome polyprotein -5.83 N/A N/A N/A N/A
3A_HED68 Genome polyprotein -5.79 N/A N/A N/A N/A
3C_HE71 Genome polyprotein -6.39 -7.04 N/A N/A N/A
3C_HED68 Genome polyprotein -6.22 N/A N/A N/A N/A
3D_HE71 Genome polyprotein -7.96 N/A N/A N/A N/A
3D_HED68 Genome polyprotein -8.34 N/A N/A N/A N/A
ACE2_HUMAN angiotensin converting enzyme 2 -9.19 N/A N/A 17.28% CHEMBL254495
CAPSD_9CALI Capsid protein -8.61 -7.50 -8.13 N/A N/A
CAPSD_9ENTO Genome polyprotein -11.00 N/A N/A N/A N/A
CAPSD_DEN2P Genome polyprotein -7.19 N/A N/A N/A N/A
CAPSD_HCV77 Genome polyprotein -5.00 N/A N/A 26.41% CHEMBL3908585
CAPSD_HED68 Capsid protein VP0 -8.78 -8.87 N/A N/A N/A
CAPSD_ZIKV Core protein -6.84 -6.35 N/A N/A N/A
DPM_HHV1K DNA polymerase catalytic subunit -8.73 N/A N/A 21.05% CHEMBL481172
E1_9HEPC Envelope glycoprotein E1 -5.86 N/A N/A N/A N/A
E1_HCV77 Genome polyprotein -4.65 N/A N/A 26.41% CHEMBL3908585
E1_HCVJ1 Genome polyprotein -5.09 N/A N/A N/A N/A
E2_9HEPC Core protein precursor -9.54 N/A N/A N/A N/A
E2_HCV77 Genome polyprotein -6.11 N/A N/A 26.41% CHEMBL3908585
ENV_9FLAV Envelope protein E -5.38 N/A N/A N/A N/A
ENV_DEN1B Genome polyprotein -5.08 N/A N/A N/A N/A
ENV_DEN2P Genome polyprotein -7.14 N/A N/A N/A N/A
ENV_DEN3P Genome polyprotein -6.30 N/A N/A N/A N/A
ENV_HHV2H Envelope glycoprotein H -7.21 N/A N/A N/A N/A
ENV_ZIKV Core protein -5.82 N/A N/A N/A N/A
ENV_ZIKVK Genome polyprotein -6.89 N/A N/A N/A N/A
G1_ADNV Envelope polyprotein -4.53 -7.76 -7.58 N/A N/A
G2_ADNV Envelope polyprotein -8.94 -7.80 -6.71 N/A N/A
GB_HHV11 Envelope glycoprotein B -6.97 N/A N/A N/A N/A
GB_HHV1K Envelope glycoprotein B -8.37 -7.82 N/A N/A N/A
GD_9ALPH Glycoprotein D -7.05 -6.45 N/A N/A N/A
GD_HHV1 Glycoprotein D -6.85 N/A N/A N/A N/A
GP160_HIV1 Envelope glycoprotein gp160 -6.29 -6.37 -6.32 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -7.84 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -7.79 -7.69 -7.93 14.08% CHEMBL1655
GP_LASSJ Pre-glycoprotein polyprotein GP complex -7.20 -7.13 N/A N/A N/A
HA_A-H10N7 Hemagglutinin -6.85 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -6.57 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -6.49 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -7.23 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -7.02 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -6.43 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -5.76 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -6.73 -6.49 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -7.20 -6.65 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -6.65 -6.37 -6.83 N/A N/A
HA_A-H3N8 Hemagglutinin -6.80 -6.58 -6.20 N/A N/A
HA_A-H5N1 Hemagglutinin -7.11 -7.53 -6.96 N/A N/A
HA_A-H5N3 Hemagglutinin -7.53 -6.99 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -6.57 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -6.28 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -6.35 -6.05 -6.09 N/A N/A
HA_A-H7N7 Hemagglutinin -6.31 -7.31 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -6.44 N/A N/A N/A N/A
HA_INFB Hemagglutinin -6.81 -6.04 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.02 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -7.09 -6.70 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -5.98 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -6.20 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -5.50 -6.12 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -8.92 -8.88 -8.76 N/A N/A
MD_MERs Replicase polyprotein 1a -8.89 -8.59 N/A N/A N/A
MEM_9FLAV Core protein -6.24 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -6.11 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -7.89 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -10.18 N/A N/A N/A N/A
MX_9MONO Matrix protein VP40 -8.11 N/A N/A N/A N/A
MX_LASSJ RING finger protein Z -6.55 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -8.49 -8.25 -7.98 N/A N/A
NA_A-H11N9 Neuraminidase -7.21 -8.19 -8.26 N/A N/A
NA_A-H12N5 Neuraminidase -7.74 -7.97 -8.05 N/A N/A
NA_A-H13N9 Neuraminidase -7.84 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -7.08 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -6.58 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -7.99 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -8.09 -7.44 -8.07 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -7.76 -7.17 N/A N/A N/A
NA_A-H3N8 Neuraminidase -7.68 -7.88 -7.73 13.46% CHEMBL4288395
NA_A-H5N1 Neuraminidase -7.59 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -7.68 -7.63 -8.38 N/A N/A
NA_INFB Neuraminidase -7.38 -7.40 N/A 12.83% CHEMBL81286
NP_9ADNV Nucleoprotein -5.14 -8.07 N/A N/A N/A
NP_A-H1N1 Nucleoprotein -6.40 -8.57 -6.70 N/A N/A
NP_A-H5N1 Nucleoprotein -7.02 N/A N/A N/A N/A
NP_EBOZM Nucleoprotein -7.17 -6.69 -6.71 N/A N/A
NP_HCoV-NL63 Nucleoprotein -7.11 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -9.75 -7.45 -7.39 12.21% CHEMBL3233481
NP_INFB Nucleoprotein -5.71 N/A N/A N/A N/A
NP_INFD NP -5.46 N/A N/A N/A N/A
NP_LASSJ Nucleoprotein -9.27 -9.22 -5.14 N/A N/A
NP_SARS Nucleoprotein -7.20 N/A N/A N/A N/A
NS1_9CALI NTPase -6.45 -5.92 -6.29 N/A N/A
NS1_9FLAV Non-structural protein 1 -6.43 N/A N/A N/A N/A
NS1_DEN1W Genome polyprotein -5.81 N/A N/A N/A N/A
NS1_ZIKV Core protein -6.02 -7.87 -7.09 N/A N/A
NS2A_9FLAV Core protein -4.76 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 -8.07 -8.02 N/A N/A N/A
NS2B_ZIKV Genome polyprotein -7.94 -7.05 N/A N/A N/A
NS2B_ZIKVF Genome polyprotein -7.03 N/A N/A N/A N/A
NS3_9FLAV Core protein -8.15 N/A N/A N/A N/A
NS3_DEN4T Genome polyprotein -8.05 -7.51 N/A N/A N/A
NS3_HCV1A Genome polyprotein -7.89 -6.74 -8.06 26.41% CHEMBL3908585
NS3_HCV1B Genome polyprotein -8.01 -7.56 -6.56 12.50% CHEMBL297884
NS3_HCV3A Genome polyprotein -7.50 -7.24 -7.40 N/A N/A
NS3_ZIKV Genome polyprotein -7.75 N/A N/A N/A N/A
NS5B_HCV1A Genome polyprotein -8.46 -8.93 -8.53 16.33% CHEMBL178973
NS5B_HCV1B Genome polyprotein -7.99 -8.13 -8.29 14.12% CHEMBL3645188
NS5B_HCV2A Genome polyprotein -8.83 -9.00 N/A 12.64% CHEMBL3127326
NS5_9FLAV Core protein -8.00 N/A N/A N/A N/A
NS5_DEN3S Genome polyprotein -6.70 -8.28 N/A N/A N/A
NS5_ZIKV Genome polyprotein -8.02 -6.14 N/A N/A N/A
NS5_ZIKVF Genome polyprotein -8.28 N/A N/A N/A N/A
NS6_9CALI NTPase -5.28 -7.52 -6.49 N/A N/A
NSP15_SARS Replicase polyprotein 1ab -7.21 N/A N/A 14.56% CHEMBL471187
NSP15_SARS2 Replicase polyprotein 1ab -7.14 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -6.81 -6.80 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -6.17 N/A N/A 14.56% CHEMBL471187
NSP3_HCoV-229E Replicase polyprotein 1a -10.19 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -9.03 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -6.83 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -7.33 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -7.23 -6.74 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -7.44 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -7.90 -7.91 -8.00 N/A N/A
PA_A-H5N1 Polymerase acidic protein -7.85 -7.58 -7.60 N/A N/A
PA_INFA Polymerase acidic protein -8.66 -7.45 -7.29 46.23% CHEMBL4457315
PA_INFB Polymerase acidic protein -7.87 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -8.05 -8.58 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -8.26 -7.83 -8.64 N/A N/A
PB2_INFB Polymerase basic protein 2 -8.11 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -8.51 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -8.43 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -8.60 -8.94 -8.02 27.33% CHEMBL426898
PLP_SARS2 papain-like protease -6.31 N/A N/A N/A N/A
PM_9VIRU RNA-directed RNA polymerase L -8.12 -8.17 N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -7.65 N/A N/A 10.94% CHEMBL4214471
PR_HCoV-229E Replicase polyprotein 1a -7.55 -7.27 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -4.88 -7.64 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -6.74 -6.99 -7.13 12.25% CHEMBL510485
PR_HIV2 Gag-Pol polyprotein -7.51 -6.37 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -6.90 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -7.25 -7.64 -7.67 N/A N/A
PR_IBV Replicase polyprotein 1a -7.74 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -7.31 -7.55 N/A N/A N/A
PR_PEDV 3C-like proteinase -7.16 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -7.61 -7.10 -7.18 14.56% CHEMBL471187
PR_SARS2 3C-like protease -7.90 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -7.35 N/A N/A N/A N/A
P_9CALI Norovirus P domain protein -9.05 N/A N/A N/A N/A
P_NVN68 Capsid protein VP1 -5.84 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -6.28 N/A N/A 11.80% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -9.11 -9.78 -8.92 17.05% CHEMBL4288759
SPIKE_HCoV-229E Spike glycoprotein -5.71 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -6.10 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -6.94 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -7.82 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -6.15 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -7.29 -6.60 -5.82 N/A N/A
SPIKE_MHV Spike glycoprotein -6.86 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -6.44 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -6.89 -6.74 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -6.36 -6.40 -6.75 N/A N/A
VP1_9CALI Capsid protein -8.43 N/A N/A N/A N/A
VP1_NVN68 Capsid protein VP1 -5.92 N/A N/A N/A N/A
VP24_EBORE Membrane-associated protein VP24 -6.29 N/A N/A N/A N/A
VP24_EBOSU Membrane-associated protein VP24 -5.57 N/A N/A N/A N/A
VP24_EBOZM Membrane-associated protein VP24 -6.16 N/A N/A N/A N/A
VP30_9MONO Minor nucleoprotein VP30 -5.96 N/A N/A N/A N/A
VP30_EBOZ5 Transcriptional activator VP30 -6.85 N/A N/A N/A N/A
VP30_EBOZM Transcriptional activator VP30 -7.04 N/A N/A N/A N/A
VP35_EBORR Polymerase cofactor VP35 -6.57 N/A N/A N/A N/A
VP35_EBOZM Polymerase cofactor VP35 -6.24 -6.94 -6.85 N/A N/A
VP40_EBOZM Matrix protein VP40 -5.62 -5.35 N/A N/A N/A