Comp1 #447 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 -8.17 N/A N/A N/A N/A
2A_HE71M Genome polyprotein -8.18 N/A N/A N/A N/A
2C_HE71 Genome polyprotein -5.77 -6.33 N/A N/A N/A
3A_9ENTO Genome polyprotein -6.44 N/A N/A N/A N/A
3A_HE71M Genome polyprotein -6.04 N/A N/A N/A N/A
3A_HED68 Genome polyprotein -6.11 N/A N/A N/A N/A
3C_HE71 Genome polyprotein -6.47 -6.30 N/A N/A N/A
3C_HED68 Genome polyprotein -5.79 N/A N/A N/A N/A
3D_HE71 Genome polyprotein -8.63 N/A N/A N/A N/A
3D_HED68 Genome polyprotein -8.12 N/A N/A N/A N/A
ACE2_HUMAN angiotensin converting enzyme 2 -8.88 N/A N/A 23.53% CHEMBL251809
CAPSD_9CALI Capsid protein -8.40 -8.03 -8.26 N/A N/A
CAPSD_9ENTO Genome polyprotein -10.79 N/A N/A N/A N/A
CAPSD_DEN2P Genome polyprotein -8.59 N/A N/A N/A N/A
CAPSD_HCV77 Genome polyprotein -4.83 N/A N/A 25.96% CHEMBL4107728
CAPSD_HED68 Capsid protein VP0 -9.61 -10.69 N/A N/A N/A
CAPSD_ZIKV Core protein -7.77 -7.64 N/A N/A N/A
DPM_HHV1K DNA polymerase catalytic subunit -9.12 N/A N/A 13.72% CHEMBL479371
E1_9HEPC Envelope glycoprotein E1 -6.00 N/A N/A N/A N/A
E1_HCV77 Genome polyprotein -5.10 N/A N/A 25.96% CHEMBL4107728
E1_HCVJ1 Genome polyprotein -6.04 N/A N/A N/A N/A
E2_9HEPC Core protein precursor -7.73 N/A N/A N/A N/A
E2_HCV77 Genome polyprotein -6.03 N/A N/A 25.96% CHEMBL4107728
ENV_9FLAV Envelope protein E -5.12 N/A N/A N/A N/A
ENV_DEN1B Genome polyprotein -5.70 N/A N/A N/A N/A
ENV_DEN2P Genome polyprotein -6.40 N/A N/A N/A N/A
ENV_DEN3P Genome polyprotein -6.84 N/A N/A N/A N/A
ENV_HHV2H Envelope glycoprotein H -8.01 N/A N/A N/A N/A
ENV_ZIKV Core protein -5.91 N/A N/A N/A N/A
ENV_ZIKVK Genome polyprotein -6.25 N/A N/A N/A N/A
G1_ADNV Envelope polyprotein -4.98 -7.58 -7.55 N/A N/A
G2_ADNV Envelope polyprotein -8.26 -8.11 -6.48 N/A N/A
GB_HHV11 Envelope glycoprotein B -7.49 N/A N/A N/A N/A
GB_HHV1K Envelope glycoprotein B -8.77 -8.06 N/A N/A N/A
GD_9ALPH Glycoprotein D -7.60 -5.78 N/A N/A N/A
GD_HHV1 Glycoprotein D -6.94 N/A N/A N/A N/A
GP160_HIV1 Envelope glycoprotein gp160 -6.43 -6.26 -6.20 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -7.22 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -8.69 -8.94 -8.90 19.13% CHEMBL1655
GP_LASSJ Pre-glycoprotein polyprotein GP complex -7.29 -6.41 N/A N/A N/A
HA_A-H10N7 Hemagglutinin -7.60 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -7.18 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -6.66 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -6.65 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -7.19 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -5.69 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -5.53 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -7.07 -6.75 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -6.41 -6.37 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -6.96 -6.91 -6.38 N/A N/A
HA_A-H3N8 Hemagglutinin -6.51 -6.77 -6.74 N/A N/A
HA_A-H5N1 Hemagglutinin -6.78 -6.95 -6.65 N/A N/A
HA_A-H5N3 Hemagglutinin -7.65 -6.31 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -7.18 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 -6.65 -5.87 -6.44 N/A N/A
HA_A-H7N7 Hemagglutinin -6.31 -7.30 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -7.12 N/A N/A N/A N/A
HA_INFB Hemagglutinin -7.20 -6.57 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.40 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -7.62 -6.90 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -6.44 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -6.72 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -6.12 -6.21 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -8.63 -8.75 -8.52 N/A N/A
MD_MERs Replicase polyprotein 1a -8.58 -8.43 N/A N/A N/A
MEM_9FLAV Core protein -6.41 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -6.06 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -7.58 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -9.47 N/A N/A N/A N/A
MX_9MONO Matrix protein VP40 -8.69 N/A N/A N/A N/A
MX_LASSJ RING finger protein Z -5.91 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -8.47 -8.20 -7.50 N/A N/A
NA_A-H11N9 Neuraminidase -7.50 -7.96 -8.08 N/A N/A
NA_A-H12N5 Neuraminidase -7.23 -7.85 -8.01 N/A N/A
NA_A-H13N9 Neuraminidase -7.95 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -6.87 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -7.25 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -7.59 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -7.87 -7.63 -7.94 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -7.01 -7.34 N/A N/A N/A
NA_A-H3N8 Neuraminidase -7.03 -8.56 -7.63 15.20% CHEMBL4285767
NA_A-H5N1 Neuraminidase -7.47 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -7.57 -7.44 -7.83 N/A N/A
NA_INFB Neuraminidase -7.89 -7.46 N/A 20.78% CHEMBL81286
NP_9ADNV Nucleoprotein -5.11 -9.10 N/A N/A N/A
NP_A-H1N1 Nucleoprotein -7.48 -7.74 -7.13 N/A N/A
NP_A-H5N1 Nucleoprotein -7.52 N/A N/A N/A N/A
NP_EBOZM Nucleoprotein -8.19 -6.89 -6.96 N/A N/A
NP_HCoV-NL63 Nucleoprotein -6.72 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -8.33 -8.02 -7.63 11.93% CHEMBL3233481
NP_INFB Nucleoprotein -5.33 N/A N/A N/A N/A
NP_INFD NP -5.71 N/A N/A N/A N/A
NP_LASSJ Nucleoprotein -9.16 -9.50 -4.82 N/A N/A
NP_SARS Nucleoprotein -7.54 N/A N/A N/A N/A
NS1_9CALI NTPase -6.77 -5.75 -6.71 N/A N/A
NS1_9FLAV Non-structural protein 1 -6.47 N/A N/A N/A N/A
NS1_DEN1W Genome polyprotein -6.01 N/A N/A N/A N/A
NS1_ZIKV Core protein -5.99 -7.55 -7.34 N/A N/A
NS2A_9FLAV Core protein -5.05 N/A N/A N/A N/A
NS2B_DEN1W Genome polyprotein -7.89 N/A N/A N/A N/A
NS2B_DEN2P Genome polyprotein -8.27 -8.05 N/A N/A N/A
NS2B_ZIKV Genome polyprotein -7.91 -7.36 N/A N/A N/A
NS2B_ZIKVF Genome polyprotein -7.92 N/A N/A N/A N/A
NS3_9FLAV Core protein -8.40 N/A N/A N/A N/A
NS3_DEN4T Genome polyprotein -8.16 -8.03 N/A N/A N/A
NS3_HCV1A Genome polyprotein -8.11 -6.63 -6.85 25.96% CHEMBL4107728
NS3_HCV1B Genome polyprotein -7.75 -8.02 -6.73 13.55% CHEMBL3125634
NS3_HCV3A Genome polyprotein -7.30 -7.39 -7.10 N/A N/A
NS3_ZIKV Genome polyprotein -7.99 N/A N/A N/A N/A
NS5B_HCV1A Genome polyprotein -8.19 -9.60 -9.42 22.83% CHEMBL446360
NS5B_HCV1B Genome polyprotein -9.16 -8.25 -8.12 15.49% CHEMBL213832
NS5B_HCV2A Genome polyprotein -10.39 -9.49 N/A 20.81% CHEMBL3127326
NS5_9FLAV Core protein -8.14 N/A N/A N/A N/A
NS5_DEN3S Genome polyprotein -7.00 -7.69 N/A N/A N/A
NS5_ZIKV Genome polyprotein -8.23 -5.96 N/A N/A N/A
NS5_ZIKVF Genome polyprotein -8.34 N/A N/A N/A N/A
NS6_9CALI NTPase -5.44 -6.48 -6.47 N/A N/A
NSP15_SARS Replicase polyprotein 1ab -7.14 N/A N/A 18.75% CHEMBL2441741
NSP15_SARS2 Replicase polyprotein 1ab -7.42 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -6.88 -6.71 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -5.91 N/A N/A 18.75% CHEMBL2441741
NSP3_HCoV-229E Replicase polyprotein 1a -9.16 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -8.95 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -7.24 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -8.18 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -8.34 -6.55 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -7.21 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -7.52 -7.78 -7.56 N/A N/A
PA_A-H5N1 Polymerase acidic protein -8.07 -7.58 -7.93 N/A N/A
PA_INFA Polymerase acidic protein -9.35 -7.40 -7.46 25.86% CHEMBL2040554
PA_INFB Polymerase acidic protein -7.49 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -8.97 -9.14 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -8.13 -8.70 -9.23 N/A N/A
PB2_INFB Polymerase basic protein 2 -9.63 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -8.85 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -8.76 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -9.11 -8.47 -8.56 14.47% CHEMBL212218
PLP_SARS2 papain-like protease -6.39 N/A N/A N/A N/A
PM_9VIRU RNA-directed RNA polymerase L -7.95 -9.29 N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -7.16 N/A N/A 18.99% CHEMBL4214471
PR_HCoV-229E Replicase polyprotein 1a -7.53 -7.57 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -5.38 -7.46 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -7.51 -7.41 -7.24 17.75% CHEMBL492666
PR_HIV2 Gag-Pol polyprotein -8.02 -7.14 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -7.03 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -6.98 -7.30 -7.45 N/A N/A
PR_IBV Replicase polyprotein 1a -7.23 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -7.21 -7.17 N/A N/A N/A
PR_PEDV 3C-like proteinase -7.35 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -7.41 -6.66 -7.41 18.75% CHEMBL2441741
PR_SARS2 3C-like protease -7.21 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -7.17 N/A N/A N/A N/A
P_9CALI Norovirus P domain protein -9.17 N/A N/A N/A N/A
P_NVN68 Capsid protein VP1 -5.91 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -6.34 N/A N/A 11.27% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -11.10 -11.09 -10.26 26.96% CHEMBL4228598
SPIKE_HCoV-229E Spike glycoprotein -5.84 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -6.67 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -7.24 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -6.96 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -6.26 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -7.76 -6.96 -5.91 N/A N/A
SPIKE_MHV Spike glycoprotein -7.23 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -6.29 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -6.82 -7.55 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -6.29 -5.93 -7.03 N/A N/A
VP1_9CALI Capsid protein -7.94 N/A N/A N/A N/A
VP1_NVN68 Capsid protein VP1 -6.18 N/A N/A N/A N/A
VP24_EBORE Membrane-associated protein VP24 -5.92 N/A N/A N/A N/A
VP24_EBOSU Membrane-associated protein VP24 -5.09 N/A N/A N/A N/A
VP24_EBOZM Membrane-associated protein VP24 -6.63 N/A N/A N/A N/A
VP30_9MONO Minor nucleoprotein VP30 -6.66 N/A N/A N/A N/A
VP30_EBOZ5 Transcriptional activator VP30 -8.49 N/A N/A N/A N/A
VP30_EBOZM Transcriptional activator VP30 -8.54 N/A N/A N/A N/A
VP35_EBORR Polymerase cofactor VP35 -6.44 N/A N/A N/A N/A
VP35_EBOZM Polymerase cofactor VP35 -7.27 -7.16 -6.96 N/A N/A
VP40_EBOZM Matrix protein VP40 -5.58 -5.61 N/A N/A N/A