JANZ-erastin #390 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 -9.16 N/A N/A N/A N/A
2A_HE71M Genome polyprotein -8.14 N/A N/A N/A N/A
2C_HE71 Genome polyprotein -6.16 -7.30 N/A N/A N/A
3A_9ENTO Genome polyprotein -6.73 N/A N/A N/A N/A
3A_HE71M Genome polyprotein -6.53 N/A N/A N/A N/A
3A_HED68 Genome polyprotein -6.86 N/A N/A N/A N/A
3C_HE71 Genome polyprotein -7.37 -7.15 N/A N/A N/A
3C_HED68 Genome polyprotein -6.94 N/A N/A N/A N/A
3D_HE71 Genome polyprotein -8.20 N/A N/A N/A N/A
3D_HED68 Genome polyprotein -8.72 N/A N/A N/A N/A
ACE2_HUMAN angiotensin converting enzyme 2 -11.05 N/A N/A 30.34% CHEMBL1240682
CAPSD_9CALI Capsid protein -8.36 -7.87 -8.49 N/A N/A
CAPSD_9ENTO Genome polyprotein -7.73 N/A N/A N/A N/A
CAPSD_DEN2P Genome polyprotein -7.44 N/A N/A N/A N/A
CAPSD_HCV77 Genome polyprotein -5.67 N/A N/A 37.02% CHEMBL4106916
CAPSD_HED68 Capsid protein VP0 -10.11 -9.53 N/A N/A N/A
CAPSD_ZIKV Core protein -7.22 -7.43 N/A N/A N/A
DPM_HHV1K DNA polymerase catalytic subunit -8.30 N/A N/A 25.66% CHEMBL479371
E1_9HEPC Envelope glycoprotein E1 -6.73 N/A N/A N/A N/A
E1_HCV77 Genome polyprotein -4.57 N/A N/A 37.02% CHEMBL4106916
E1_HCVJ1 Genome polyprotein -5.00 N/A N/A N/A N/A
E2_9HEPC Core protein precursor -8.76 N/A N/A N/A N/A
E2_HCV77 Genome polyprotein -6.42 N/A N/A 37.02% CHEMBL4106916
ENV_9FLAV Envelope protein E -5.92 N/A N/A N/A N/A
ENV_DEN1B Genome polyprotein -5.69 N/A N/A N/A N/A
ENV_DEN2P Genome polyprotein -6.91 N/A N/A N/A N/A
ENV_DEN3P Genome polyprotein -6.65 N/A N/A N/A N/A
ENV_HHV2H Envelope glycoprotein H -8.44 N/A N/A N/A N/A
ENV_ZIKV Core protein -7.05 N/A N/A N/A N/A
ENV_ZIKVK Genome polyprotein -5.98 N/A N/A N/A N/A
G1_ADNV Envelope polyprotein -4.23 -7.44 -7.61 N/A N/A
G2_ADNV Envelope polyprotein -8.66 -8.20 -7.45 N/A N/A
GB_HHV11 Envelope glycoprotein B -8.12 N/A N/A N/A N/A
GB_HHV1K Envelope glycoprotein B -8.50 -8.12 N/A N/A N/A
GD_9ALPH Glycoprotein D -8.23 -5.47 N/A N/A N/A
GD_HHV1 Glycoprotein D -6.96 N/A N/A N/A N/A
GP160_HIV1 Envelope glycoprotein gp160 -7.55 -8.35 -7.46 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -7.11 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -8.29 -8.71 -7.79 28.44% CHEMBL4640931
GP_LASSJ Pre-glycoprotein polyprotein GP complex -6.77 -6.73 N/A N/A N/A
HA_A-H10N7 Hemagglutinin -6.78 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -7.19 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -7.09 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -8.70 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -6.89 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -6.72 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -5.93 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -7.17 -7.51 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -6.79 -7.30 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -6.95 -6.57 -6.76 N/A N/A
HA_A-H3N8 Hemagglutinin -6.47 -6.86 -7.02 N/A N/A
HA_A-H5N1 Hemagglutinin -7.06 -6.76 -6.96 N/A N/A
HA_A-H5N3 Hemagglutinin -7.32 -6.73 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -7.19 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -6.79 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -6.87 -6.49 -6.57 N/A N/A
HA_A-H7N7 Hemagglutinin -7.61 -7.28 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -7.24 N/A N/A N/A N/A
HA_INFB Hemagglutinin -7.53 -6.90 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -7.40 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.87 -6.85 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -6.52 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -6.94 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -6.53 -6.51 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -10.46 -10.91 -11.12 N/A N/A
MD_MERs Replicase polyprotein 1a -8.72 -11.34 N/A N/A N/A
MEM_9FLAV Core protein -6.24 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -7.44 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -8.43 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 0.65 N/A N/A N/A N/A
MX_9MONO Matrix protein VP40 -9.94 N/A N/A N/A N/A
MX_LASSJ RING finger protein Z -5.94 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -8.32 -8.36 -8.45 N/A N/A
NA_A-H11N9 Neuraminidase -6.87 -8.88 -8.75 N/A N/A
NA_A-H12N5 Neuraminidase -8.92 -8.32 -8.48 N/A N/A
NA_A-H13N9 Neuraminidase -6.39 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -8.03 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -7.78 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -9.09 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -8.81 -9.39 -9.08 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -8.58 -7.57 N/A N/A N/A
NA_A-H3N8 Neuraminidase -8.04 -9.45 -8.03 22.39% CHEMBL4282553
NA_A-H5N1 Neuraminidase -9.18 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -8.99 -8.68 -8.74 N/A N/A
NA_INFB Neuraminidase -7.28 -8.03 N/A 24.34% CHEMBL4175983
NP_9ADNV Nucleoprotein -5.52 -8.64 N/A N/A N/A
NP_A-H1N1 Nucleoprotein -6.82 -6.51 -6.77 N/A N/A
NP_A-H5N1 Nucleoprotein -6.93 N/A N/A N/A N/A
NP_EBOZM Nucleoprotein -7.37 -7.12 -7.94 N/A N/A
NP_HCoV-NL63 Nucleoprotein -7.49 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -8.57 -7.71 -7.37 18.75% CHEMBL3233481
NP_INFB Nucleoprotein -6.35 N/A N/A N/A N/A
NP_INFD NP -5.78 N/A N/A N/A N/A
NP_LASSJ Nucleoprotein -10.14 -10.48 -5.27 N/A N/A
NP_SARS Nucleoprotein -8.15 N/A N/A N/A N/A
NS1_9CALI NTPase -6.38 -5.91 -7.65 N/A N/A
NS1_9FLAV Non-structural protein 1 -6.49 N/A N/A N/A N/A
NS1_DEN1W Genome polyprotein -6.24 N/A N/A N/A N/A
NS1_ZIKV Core protein 13.63 -6.76 -8.98 N/A N/A
NS2A_9FLAV Core protein -4.72 N/A N/A N/A N/A
NS2B_DEN1W Genome polyprotein -7.98 N/A N/A N/A N/A
NS2B_DEN2P Genome polyprotein -7.50 -8.24 N/A N/A N/A
NS2B_ZIKV Genome polyprotein -8.28 -7.86 N/A N/A N/A
NS2B_ZIKVF Genome polyprotein -7.82 N/A N/A N/A N/A
NS3_9FLAV Core protein -9.26 N/A N/A N/A N/A
NS3_DEN4T Genome polyprotein -9.89 -8.85 N/A N/A N/A
NS3_HCV1A Genome polyprotein -7.54 -6.71 -7.79 37.02% CHEMBL4106916
NS3_HCV1B Genome polyprotein -10.34 -8.40 -6.67 27.62% CHEMBL1170417
NS3_HCV3A Genome polyprotein -8.11 -7.65 -8.24 N/A N/A
NS3_ZIKV Genome polyprotein -9.14 N/A N/A N/A N/A
NS5B_HCV1A Genome polyprotein -8.55 -10.37 -10.34 30.28% CHEMBL3644925
NS5B_HCV1B Genome polyprotein -7.85 -7.60 -7.69 28.85% CHEMBL3645182
NS5B_HCV2A Genome polyprotein -9.51 -6.87 N/A 30.90% CHEMBL3127326
NS5_9FLAV Core protein -9.12 N/A N/A N/A N/A
NS5_DEN3S Genome polyprotein -8.28 -9.20 N/A N/A N/A
NS5_ZIKV Genome polyprotein -8.90 -5.93 N/A N/A N/A
NS5_ZIKVF Genome polyprotein -8.55 N/A N/A N/A N/A
NS6_9CALI NTPase -5.40 -5.80 -7.06 N/A N/A
NSP15_SARS Replicase polyprotein 1ab -7.40 N/A N/A 24.89% CHEMBL2441741
NSP15_SARS2 Replicase polyprotein 1ab -7.99 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -7.00 -7.13 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -5.84 N/A N/A 24.89% CHEMBL2441741
NSP3_HCoV-229E Replicase polyprotein 1a -9.59 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -7.25 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -6.84 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -9.41 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -7.78 -6.82 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -9.20 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -9.95 -9.56 -9.47 N/A N/A
PA_A-H5N1 Polymerase acidic protein -9.74 -9.51 -9.53 N/A N/A
PA_INFA Polymerase acidic protein -9.54 -8.27 -9.20 28.72% CHEMBL4593284
PA_INFB Polymerase acidic protein -8.49 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -9.20 -8.56 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -7.74 -8.51 -8.49 N/A N/A
PB2_INFB Polymerase basic protein 2 -9.27 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -8.30 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -8.64 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -8.59 -10.12 -10.21 30.94% CHEMBL358279
PLP_SARS2 papain-like protease -7.16 N/A N/A N/A N/A
PM_9VIRU RNA-directed RNA polymerase L -8.13 -8.90 N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -8.67 N/A N/A 20.85% CHEMBL4214471
PR_HCoV-229E Replicase polyprotein 1a -7.61 -7.94 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -5.51 -8.64 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -6.70 -7.87 -6.83 21.38% CHEMBL450294
PR_HIV2 Gag-Pol polyprotein -8.22 -7.44 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -7.28 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -7.61 -6.98 -6.66 N/A N/A
PR_IBV Replicase polyprotein 1a -8.36 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -7.59 -8.03 N/A N/A N/A
PR_PEDV 3C-like proteinase -7.96 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -8.13 -7.24 -7.70 24.89% CHEMBL2441741
PR_SARS2 3C-like protease -7.78 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -7.30 N/A N/A N/A N/A
P_9CALI Norovirus P domain protein -6.95 N/A N/A N/A N/A
P_NVN68 Capsid protein VP1 -5.85 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -7.72 N/A N/A 16.67% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -8.21 -9.15 -9.36 25.82% CHEMBL3915855
SPIKE_HCoV-229E Spike glycoprotein -5.48 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -6.83 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -7.82 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -7.73 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -7.99 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -7.95 -7.31 -6.62 N/A N/A
SPIKE_MHV Spike glycoprotein -7.61 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -6.91 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -6.88 -7.10 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -6.08 -6.61 -7.55 N/A N/A
VP1_9CALI Capsid protein -8.88 N/A N/A N/A N/A
VP1_NVN68 Capsid protein VP1 -6.51 N/A N/A N/A N/A
VP24_EBORE Membrane-associated protein VP24 -6.01 N/A N/A N/A N/A
VP24_EBOSU Membrane-associated protein VP24 -4.96 N/A N/A N/A N/A
VP24_EBOZM Membrane-associated protein VP24 -6.53 N/A N/A N/A N/A
VP30_9MONO Minor nucleoprotein VP30 -6.94 N/A N/A N/A N/A
VP30_EBOZ5 Transcriptional activator VP30 -7.58 N/A N/A N/A N/A
VP30_EBOZM Transcriptional activator VP30 -7.70 N/A N/A N/A N/A
VP35_EBORR Polymerase cofactor VP35 -7.33 N/A N/A N/A N/A
VP35_EBOZM Polymerase cofactor VP35 -6.71 -6.89 -7.82 N/A N/A
VP40_EBOZM Matrix protein VP40 -6.48 -5.68 N/A N/A N/A