Telaprevir #406 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 -8.76 N/A N/A N/A N/A
2A_HE71M Genome polyprotein -8.43 N/A N/A N/A N/A
2C_HE71 Genome polyprotein -6.95 -5.87 N/A N/A N/A
3A_9ENTO Genome polyprotein -6.37 N/A N/A N/A N/A
3A_HE71M Genome polyprotein -5.47 N/A N/A N/A N/A
3A_HED68 Genome polyprotein -5.84 N/A N/A N/A N/A
3C_HE71 Genome polyprotein -6.52 -7.35 N/A N/A N/A
3C_HED68 Genome polyprotein -6.13 N/A N/A N/A N/A
3D_HE71 Genome polyprotein -7.58 N/A N/A N/A N/A
3D_HED68 Genome polyprotein -8.54 N/A N/A N/A N/A
ACE2_HUMAN angiotensin converting enzyme 2 -11.10 N/A N/A 32.33% CHEMBL1240682
CAPSD_9CALI Capsid protein -8.13 -8.08 -8.83 N/A N/A
CAPSD_9ENTO Genome polyprotein -6.39 N/A N/A N/A N/A
CAPSD_DEN2P Genome polyprotein -7.53 N/A N/A N/A N/A
CAPSD_HCV77 Genome polyprotein -5.40 N/A N/A 67.11% CHEMBL3645733
CAPSD_HED68 Capsid protein VP0 -9.77 -9.58 N/A N/A N/A
CAPSD_ZIKV Core protein -6.13 -6.80 N/A N/A N/A
DPM_HHV1K DNA polymerase catalytic subunit -8.64 N/A N/A 25.40% CHEMBL479371
E1_9HEPC Envelope glycoprotein E1 -5.69 N/A N/A N/A N/A
E1_HCV77 Genome polyprotein -4.25 N/A N/A 67.11% CHEMBL3645733
E1_HCVJ1 Genome polyprotein -4.95 N/A N/A N/A N/A
E2_9HEPC Core protein precursor -8.49 N/A N/A N/A N/A
E2_HCV77 Genome polyprotein -5.89 N/A N/A 67.11% CHEMBL3645733
ENV_9FLAV Envelope protein E -6.21 N/A N/A N/A N/A
ENV_DEN1B Genome polyprotein -5.62 N/A N/A N/A N/A
ENV_DEN2P Genome polyprotein -6.84 N/A N/A N/A N/A
ENV_DEN3P Genome polyprotein -6.22 N/A N/A N/A N/A
ENV_HHV2H Envelope glycoprotein H -7.20 N/A N/A N/A N/A
ENV_ZIKV Core protein -6.14 N/A N/A N/A N/A
ENV_ZIKVK Genome polyprotein -6.66 N/A N/A N/A N/A
G1_ADNV Envelope polyprotein 28.41 -6.85 -6.20 N/A N/A
G2_ADNV Envelope polyprotein -8.91 -8.46 -7.00 N/A N/A
GB_HHV11 Envelope glycoprotein B -7.47 N/A N/A N/A N/A
GB_HHV1K Envelope glycoprotein B -7.11 -7.39 N/A N/A N/A
GD_9ALPH Glycoprotein D -8.12 -6.53 N/A N/A N/A
GD_HHV1 Glycoprotein D -6.43 N/A N/A N/A N/A
GP160_HIV1 Envelope glycoprotein gp160 -6.94 -6.58 -7.08 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -7.40 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -8.12 -8.13 -7.91 31.23% CHEMBL3125895
GP_LASSJ Pre-glycoprotein polyprotein GP complex -6.81 -6.39 N/A N/A N/A
HA_A-H10N7 Hemagglutinin -7.75 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -6.90 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -6.80 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -6.62 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -6.64 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -6.83 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -7.18 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -7.75 -6.93 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -6.14 -6.75 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -6.19 -6.48 -6.49 N/A N/A
HA_A-H3N8 Hemagglutinin -6.56 -7.39 -6.83 N/A N/A
HA_A-H5N1 Hemagglutinin -6.41 -7.03 -7.20 N/A N/A
HA_A-H5N3 Hemagglutinin -6.45 -6.28 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -6.90 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -7.36 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -6.78 -6.31 -6.94 N/A N/A
HA_A-H7N7 Hemagglutinin -5.85 -6.84 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -6.63 N/A N/A N/A N/A
HA_INFB Hemagglutinin -7.00 -7.30 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.43 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -8.32 -7.22 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -5.75 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -6.15 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -5.21 -6.12 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -7.52 -7.37 -8.94 N/A N/A
MD_MERs Replicase polyprotein 1a -8.15 -9.35 N/A N/A N/A
MEM_9FLAV Core protein -5.94 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -6.71 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -7.77 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 16.80 N/A N/A N/A N/A
MX_9MONO Matrix protein VP40 -9.26 N/A N/A N/A N/A
MX_LASSJ RING finger protein Z -6.18 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -7.59 -7.55 -7.18 N/A N/A
NA_A-H11N9 Neuraminidase -6.28 -7.61 -9.37 N/A N/A
NA_A-H12N5 Neuraminidase -9.14 -7.88 -7.80 N/A N/A
NA_A-H13N9 Neuraminidase -6.65 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -7.32 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -7.80 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -8.27 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -8.58 -8.55 -8.46 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -8.69 -7.35 N/A N/A N/A
NA_A-H3N8 Neuraminidase -9.08 -8.94 -9.08 26.83% CHEMBL4287425
NA_A-H5N1 Neuraminidase -8.53 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -9.28 -8.99 -8.50 N/A N/A
NA_INFB Neuraminidase -7.78 -7.36 N/A 42.76% CHEMBL195288
NP_9ADNV Nucleoprotein -5.48 -8.83 N/A N/A N/A
NP_A-H1N1 Nucleoprotein -6.54 -5.79 -6.98 N/A N/A
NP_A-H5N1 Nucleoprotein -6.99 N/A N/A N/A N/A
NP_EBOZM Nucleoprotein -6.74 -6.21 -8.47 N/A N/A
NP_HCoV-NL63 Nucleoprotein -7.35 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -8.01 -7.96 -7.42 17.33% CHEMBL3233481
NP_INFB Nucleoprotein -6.10 N/A N/A N/A N/A
NP_INFD NP -5.39 N/A N/A N/A N/A
NP_LASSJ Nucleoprotein -10.58 -10.55 -4.37 N/A N/A
NP_SARS Nucleoprotein -7.54 N/A N/A N/A N/A
NS1_9CALI NTPase -6.06 -4.74 -6.53 N/A N/A
NS1_9FLAV Non-structural protein 1 -6.51 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 26.97 -6.96 -8.13 N/A N/A
NS2A_9FLAV Core protein -5.02 N/A N/A N/A N/A
NS2B_DEN1W Genome polyprotein -6.99 N/A N/A N/A N/A
NS2B_DEN2P Genome polyprotein -8.01 -8.21 N/A N/A N/A
NS2B_ZIKV Genome polyprotein -6.84 -7.11 N/A N/A N/A
NS2B_ZIKVF Genome polyprotein -7.92 N/A N/A N/A N/A
NS3_9FLAV Core protein -9.46 N/A N/A N/A N/A
NS3_DEN4T Genome polyprotein -8.86 -9.14 N/A N/A N/A
NS3_HCV1A Genome polyprotein -6.90 -6.30 -7.67 67.11% CHEMBL3645733
NS3_HCV1B Genome polyprotein -7.27 -7.98 -6.54 100.00% CHEMBL231813
NS3_HCV3A Genome polyprotein -8.12 -7.60 -7.42 N/A N/A
NS3_ZIKV Genome polyprotein -9.67 N/A N/A N/A N/A
NS5B_HCV1A Genome polyprotein -8.94 -8.92 -8.81 88.43% CHEMBL13256
NS5B_HCV1B Genome polyprotein -9.60 -7.70 -8.33 29.25% CHEMBL3645202
NS5B_HCV2A Genome polyprotein -8.15 -5.42 N/A 37.65% CHEMBL3127326
NS5_9FLAV Core protein -8.67 N/A N/A N/A N/A
NS5_DEN3S Genome polyprotein -7.72 -9.03 N/A N/A N/A
NS5_ZIKV Genome polyprotein -8.37 -5.90 N/A N/A N/A
NS5_ZIKVF Genome polyprotein -8.42 N/A N/A N/A N/A
NS6_9CALI NTPase -5.54 -6.04 -6.94 N/A N/A
NSP15_SARS Replicase polyprotein 1ab -6.91 N/A N/A 39.29% CHEMBL2441745
NSP15_SARS2 Replicase polyprotein 1ab -7.27 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -6.96 -6.86 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -6.47 N/A N/A 39.29% CHEMBL2441745
NSP3_HCoV-229E Replicase polyprotein 1a -8.66 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -8.31 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -7.58 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -7.82 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -6.67 -6.98 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -8.18 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -8.36 -9.11 -8.43 N/A N/A
PA_A-H5N1 Polymerase acidic protein -9.83 -9.02 -9.44 N/A N/A
PA_INFA Polymerase acidic protein -7.85 -7.72 -8.59 31.63% CHEMBL2040569
PA_INFB Polymerase acidic protein -7.63 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -7.83 -7.75 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -6.57 -7.92 -7.13 N/A N/A
PB2_INFB Polymerase basic protein 2 -7.80 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -6.95 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -8.10 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -8.89 -8.92 -8.71 34.50% CHEMBL213054
PLP_SARS2 papain-like protease -7.14 N/A N/A N/A N/A
PM_9VIRU RNA-directed RNA polymerase L -8.54 -7.35 N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -8.03 N/A N/A 36.49% CHEMBL4214066
PR_HCoV-229E Replicase polyprotein 1a -7.42 -7.75 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -5.51 -8.44 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -7.04 -7.03 -7.24 20.48% CHEMBL492666
PR_HIV2 Gag-Pol polyprotein -7.57 -7.31 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -6.96 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -6.52 -7.04 -7.12 N/A N/A
PR_IBV Replicase polyprotein 1a -7.85 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -7.77 -8.16 N/A N/A N/A
PR_PEDV 3C-like proteinase -7.54 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -7.02 -6.61 -7.63 39.29% CHEMBL2441745
PR_SARS2 3C-like protease -7.88 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -7.06 N/A N/A N/A N/A
P_9CALI Norovirus P domain protein -7.58 N/A N/A N/A N/A
P_NVN68 Capsid protein VP1 -5.97 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -7.30 N/A N/A 14.55% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -9.13 -9.13 -9.92 31.17% CHEMBL3921297
SPIKE_HCoV-229E Spike glycoprotein -5.11 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -5.48 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -7.04 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -6.87 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -6.54 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -6.19 -6.03 -5.81 N/A N/A
SPIKE_MHV Spike glycoprotein -7.70 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -7.45 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -6.35 -5.92 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -6.01 -6.17 -5.92 N/A N/A
VP1_9CALI Capsid protein -8.84 N/A N/A N/A N/A
VP1_NVN68 Capsid protein VP1 -5.76 N/A N/A N/A N/A
VP24_EBORE Membrane-associated protein VP24 -5.21 N/A N/A N/A N/A
VP24_EBOSU Membrane-associated protein VP24 -6.22 N/A N/A N/A N/A
VP24_EBOZM Membrane-associated protein VP24 -5.43 N/A N/A N/A N/A
VP30_9MONO Minor nucleoprotein VP30 -6.57 N/A N/A N/A N/A
VP30_EBOZ5 Transcriptional activator VP30 -7.46 N/A N/A N/A N/A
VP30_EBOZM Transcriptional activator VP30 -6.04 N/A N/A N/A N/A
VP35_EBORR Polymerase cofactor VP35 -6.75 N/A N/A N/A N/A
VP35_EBOZM Polymerase cofactor VP35 -6.49 -7.11 -7.13 N/A N/A
VP40_EBOZM Matrix protein VP40 -6.12 -6.25 N/A N/A N/A