jj #412 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 -6.70 N/A N/A N/A N/A
2A_HE71M Genome polyprotein -7.20 N/A N/A N/A N/A
2C_HE71 Genome polyprotein -4.57 -5.16 N/A N/A N/A
3A_9ENTO Genome polyprotein -5.04 N/A N/A N/A N/A
3A_HE71M Genome polyprotein -5.08 N/A N/A N/A N/A
3A_HED68 Genome polyprotein -4.76 N/A N/A N/A N/A
3C_HE71 Genome polyprotein -6.95 -6.48 N/A N/A N/A
3C_HED68 Genome polyprotein -4.89 N/A N/A N/A N/A
3D_HE71 Genome polyprotein -8.02 N/A N/A N/A N/A
3D_HED68 Genome polyprotein -7.53 N/A N/A N/A N/A
ACE2_HUMAN angiotensin converting enzyme 2 -8.18 N/A N/A 33.64% CHEMBL254703
CAPSD_9CALI Capsid protein -7.01 -6.62 -6.91 N/A N/A
CAPSD_9ENTO Genome polyprotein -9.67 N/A N/A N/A N/A
CAPSD_DEN2P Genome polyprotein -8.09 N/A N/A N/A N/A
CAPSD_HCV77 Genome polyprotein -3.78 N/A N/A 23.30% CHEMBL4107993
CAPSD_HED68 Capsid protein VP0 -8.45 -9.03 N/A N/A N/A
CAPSD_ZIKV Core protein -6.94 -5.96 N/A N/A N/A
DPM_HHV1K DNA polymerase catalytic subunit -8.49 N/A N/A 10.65% CHEMBL479371
E1_9HEPC Envelope glycoprotein E1 -4.61 N/A N/A N/A N/A
E1_HCV77 Genome polyprotein -3.74 N/A N/A 23.30% CHEMBL4107993
E1_HCVJ1 Genome polyprotein -4.98 N/A N/A N/A N/A
E2_9HEPC Core protein precursor -8.12 N/A N/A N/A N/A
E2_HCV77 Genome polyprotein -5.33 N/A N/A 23.30% CHEMBL4107993
ENV_9FLAV Envelope protein E -4.59 N/A N/A N/A N/A
ENV_DEN1B Genome polyprotein -4.34 N/A N/A N/A N/A
ENV_DEN2P Genome polyprotein -5.24 N/A N/A N/A N/A
ENV_DEN3P Genome polyprotein -5.11 N/A N/A N/A N/A
ENV_HHV2H Envelope glycoprotein H -7.14 N/A N/A N/A N/A
ENV_ZIKV Core protein -4.73 N/A N/A N/A N/A
ENV_ZIKVK Genome polyprotein -6.06 N/A N/A N/A N/A
G1_ADNV Envelope polyprotein -3.76 -6.50 -6.45 N/A N/A
G2_ADNV Envelope polyprotein -7.18 -6.73 -5.09 N/A N/A
GB_HHV11 Envelope glycoprotein B -7.07 N/A N/A N/A N/A
GB_HHV1K Envelope glycoprotein B -7.73 -5.95 N/A N/A N/A
GD_9ALPH Glycoprotein D -6.49 -5.76 N/A N/A N/A
GD_HHV1 Glycoprotein D -5.84 N/A N/A N/A N/A
GP160_HIV1 Envelope glycoprotein gp160 -7.30 -7.41 -7.51 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -5.09 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -6.61 -8.06 -7.98 27.96% CHEMBL1655
GP_LASSJ Pre-glycoprotein polyprotein GP complex -5.68 -5.63 N/A N/A N/A
HA_A-H10N7 Hemagglutinin -6.65 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -6.06 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -5.29 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -5.39 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -5.54 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -6.36 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -5.69 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -5.24 -5.21 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -5.39 -6.15 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -5.34 -5.44 -5.38 N/A N/A
HA_A-H3N8 Hemagglutinin -6.06 -4.94 -4.78 N/A N/A
HA_A-H5N1 Hemagglutinin -6.21 -5.27 -5.04 N/A N/A
HA_A-H5N3 Hemagglutinin -6.16 -4.94 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -6.06 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -5.20 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -5.03 -4.89 -5.13 N/A N/A
HA_A-H7N7 Hemagglutinin -5.37 -5.48 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -5.84 N/A N/A N/A N/A
HA_INFB Hemagglutinin -6.01 -5.56 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -5.13 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.23 -5.40 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -5.23 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -6.37 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -5.11 -5.09 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -8.34 -8.03 -7.15 N/A N/A
MD_MERs Replicase polyprotein 1a -8.27 -7.43 N/A N/A N/A
MEM_9FLAV Core protein -5.15 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -5.12 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -6.44 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -8.02 N/A N/A N/A N/A
MX_9MONO Matrix protein VP40 -6.82 N/A N/A N/A N/A
MX_LASSJ RING finger protein Z -4.53 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -6.44 -6.79 -6.66 N/A N/A
NA_A-H11N9 Neuraminidase -7.87 -6.75 -6.70 N/A N/A
NA_A-H12N5 Neuraminidase -6.41 -6.64 -6.39 N/A N/A
NA_A-H13N9 Neuraminidase -6.94 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -5.86 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -5.86 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -6.60 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -6.37 -6.28 -5.93 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -6.37 -6.48 N/A N/A N/A
NA_A-H3N8 Neuraminidase -6.49 -6.24 -6.79 15.92% CHEMBL4292576
NA_A-H5N1 Neuraminidase -6.63 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -6.31 -6.48 -6.25 N/A N/A
NA_INFB Neuraminidase -6.61 -5.68 N/A 12.75% CHEMBL81286
NP_9ADNV Nucleoprotein -5.43 -7.30 N/A N/A N/A
NP_A-H1N1 Nucleoprotein -5.78 -7.64 -6.10 N/A N/A
NP_A-H5N1 Nucleoprotein -6.31 N/A N/A N/A N/A
NP_EBOZM Nucleoprotein -6.75 -5.13 -6.73 N/A N/A
NP_HCoV-NL63 Nucleoprotein -5.48 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -8.48 -7.10 -6.48 7.22% CHEMBL3233481
NP_INFB Nucleoprotein -4.60 N/A N/A N/A N/A
NP_INFD NP -5.23 N/A N/A N/A N/A
NP_LASSJ Nucleoprotein -8.92 -8.80 -3.97 N/A N/A
NP_SARS Nucleoprotein -8.01 N/A N/A N/A N/A
NS1_9CALI NTPase -5.52 -5.03 -5.04 N/A N/A
NS1_9FLAV Non-structural protein 1 -5.51 N/A N/A N/A N/A
NS1_DEN1W Genome polyprotein -4.72 N/A N/A N/A N/A
NS1_ZIKV Core protein -6.46 -6.42 -5.88 N/A N/A
NS2A_9FLAV Core protein -3.92 N/A N/A N/A N/A
NS2B_DEN1W Genome polyprotein -6.56 N/A N/A N/A N/A
NS2B_DEN2P Genome polyprotein -7.34 -6.54 N/A N/A N/A
NS2B_ZIKV Genome polyprotein -6.49 -6.85 N/A N/A N/A
NS2B_ZIKVF Genome polyprotein -7.46 N/A N/A N/A N/A
NS3_9FLAV Core protein -6.60 N/A N/A N/A N/A
NS3_DEN4T Genome polyprotein -8.14 -6.98 N/A N/A N/A
NS3_HCV1A Genome polyprotein -6.60 -6.10 -8.64 23.30% CHEMBL4107993
NS3_HCV1B Genome polyprotein -8.85 -8.33 -5.63 12.61% CHEMBL1170408
NS3_HCV3A Genome polyprotein -6.46 -6.43 -6.76 N/A N/A
NS3_ZIKV Genome polyprotein -7.21 N/A N/A N/A N/A
NS5B_HCV1A Genome polyprotein -6.65 -8.55 -8.54 23.21% CHEMBL446360
NS5B_HCV1B Genome polyprotein -7.19 -8.34 -8.24 15.58% CHEMBL3645180
NS5B_HCV2A Genome polyprotein -9.07 -8.66 N/A 10.96% CHEMBL3127326
NS5_9FLAV Core protein -7.06 N/A N/A N/A N/A
NS5_DEN3S Genome polyprotein -7.03 -7.84 N/A N/A N/A
NS5_ZIKV Genome polyprotein -6.53 -5.02 N/A N/A N/A
NS5_ZIKVF Genome polyprotein -6.97 N/A N/A N/A N/A
NS6_9CALI NTPase -4.08 -5.63 -6.28 N/A N/A
NSP15_SARS Replicase polyprotein 1ab -6.25 N/A N/A 36.36% CHEMBL471187
NSP15_SARS2 Replicase polyprotein 1ab -5.96 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -6.03 -5.89 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -5.98 N/A N/A 36.36% CHEMBL471187
NSP3_HCoV-229E Replicase polyprotein 1a -9.43 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -8.56 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -7.11 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -7.31 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -6.41 -5.73 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -7.06 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -7.41 -7.73 -7.78 N/A N/A
PA_A-H5N1 Polymerase acidic protein -6.66 -6.56 -6.55 N/A N/A
PA_INFA Polymerase acidic protein -8.71 -6.18 -5.98 31.03% CHEMBL3600947
PA_INFB Polymerase acidic protein -7.23 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -8.20 -8.20 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -6.53 -8.09 -8.35 N/A N/A
PB2_INFB Polymerase basic protein 2 -7.76 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -8.26 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -8.03 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -8.39 -8.97 -7.99 35.00% CHEMBL222735
PLP_SARS2 papain-like protease -5.61 N/A N/A N/A N/A
PM_9VIRU RNA-directed RNA polymerase L -8.03 -7.95 N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -7.30 N/A N/A 12.58% CHEMBL4214471
PR_HCoV-229E Replicase polyprotein 1a -6.14 -5.78 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -5.21 -6.17 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -6.39 -6.32 -6.49 16.98% CHEMBL510485
PR_HIV2 Gag-Pol polyprotein -6.36 -6.15 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -7.10 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -6.10 -6.66 -6.29 N/A N/A
PR_IBV Replicase polyprotein 1a -7.09 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -6.94 -6.35 N/A N/A N/A
PR_PEDV 3C-like proteinase -6.25 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -7.01 -6.87 -6.52 36.36% CHEMBL471187
PR_SARS2 3C-like protease -6.92 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -6.23 N/A N/A N/A N/A
P_9CALI Norovirus P domain protein -8.45 N/A N/A N/A N/A
P_NVN68 Capsid protein VP1 -5.95 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -5.23 N/A N/A 10.78% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -9.74 -9.96 -10.26 19.00% CHEMBL3775172
SPIKE_HCoV-229E Spike glycoprotein -4.24 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -5.26 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -5.46 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -6.91 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -5.21 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -6.09 -5.10 -4.90 N/A N/A
SPIKE_MHV Spike glycoprotein -6.16 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -5.71 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -5.70 -5.69 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -6.02 -5.88 -6.53 N/A N/A
VP1_9CALI Capsid protein -7.33 N/A N/A N/A N/A
VP1_NVN68 Capsid protein VP1 -5.17 N/A N/A N/A N/A
VP24_EBORE Membrane-associated protein VP24 -5.52 N/A N/A N/A N/A
VP24_EBOSU Membrane-associated protein VP24 -3.97 N/A N/A N/A N/A
VP24_EBOZM Membrane-associated protein VP24 -5.07 N/A N/A N/A N/A
VP30_9MONO Minor nucleoprotein VP30 -5.54 N/A N/A N/A N/A
VP30_EBOZ5 Transcriptional activator VP30 -6.20 N/A N/A N/A N/A
VP30_EBOZM Transcriptional activator VP30 -6.29 N/A N/A N/A N/A
VP35_EBORR Polymerase cofactor VP35 -6.83 N/A N/A N/A N/A
VP35_EBOZM Polymerase cofactor VP35 -5.12 -6.87 -6.82 N/A N/A
VP40_EBOZM Matrix protein VP40 -5.58 -5.36 N/A N/A N/A