Boceprevir #404 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 -7.73 N/A N/A N/A N/A
2A_HE71M Genome polyprotein -7.16 N/A N/A N/A N/A
2C_HE71 Genome polyprotein -5.59 -6.03 N/A N/A N/A
3A_9ENTO Genome polyprotein -6.11 N/A N/A N/A N/A
3A_HE71M Genome polyprotein -5.31 N/A N/A N/A N/A
3A_HED68 Genome polyprotein -5.74 N/A N/A N/A N/A
3C_HE71 Genome polyprotein -5.87 -6.56 N/A N/A N/A
3C_HED68 Genome polyprotein -6.09 N/A N/A N/A N/A
3D_HE71 Genome polyprotein -7.86 N/A N/A N/A N/A
3D_HED68 Genome polyprotein -8.82 N/A N/A N/A N/A
ACE2_HUMAN angiotensin converting enzyme 2 -9.33 N/A N/A 32.61% CHEMBL401086
CAPSD_9CALI Capsid protein -7.74 -7.10 -7.51 N/A N/A
CAPSD_9ENTO Genome polyprotein -6.32 N/A N/A N/A N/A
CAPSD_DEN2P Genome polyprotein -6.42 N/A N/A N/A N/A
CAPSD_HCV77 Genome polyprotein -5.02 N/A N/A 52.43% CHEMBL3645608
CAPSD_HED68 Capsid protein VP0 -8.55 -9.24 N/A N/A N/A
CAPSD_ZIKV Core protein -6.62 -6.34 N/A N/A N/A
DPM_HHV1K DNA polymerase catalytic subunit -8.31 N/A N/A 14.29% CHEMBL479371
E1_9HEPC Envelope glycoprotein E1 -5.59 N/A N/A N/A N/A
E1_HCV77 Genome polyprotein -4.37 N/A N/A 52.43% CHEMBL3645608
E1_HCVJ1 Genome polyprotein -4.32 N/A N/A N/A N/A
E2_9HEPC Core protein precursor -8.88 N/A N/A N/A N/A
E2_HCV77 Genome polyprotein -5.98 N/A N/A 52.43% CHEMBL3645608
ENV_9FLAV Envelope protein E -5.12 N/A N/A N/A N/A
ENV_DEN1B Genome polyprotein -5.41 N/A N/A N/A N/A
ENV_DEN2P Genome polyprotein -6.57 N/A N/A N/A N/A
ENV_DEN3P Genome polyprotein -5.35 N/A N/A N/A N/A
ENV_HHV2H Envelope glycoprotein H -7.08 N/A N/A N/A N/A
ENV_ZIKV Core protein -6.61 N/A N/A N/A N/A
ENV_ZIKVK Genome polyprotein -6.22 N/A N/A N/A N/A
G1_ADNV Envelope polyprotein -3.19 -6.41 -6.51 N/A N/A
G2_ADNV Envelope polyprotein -7.34 -7.15 -6.93 N/A N/A
GB_HHV11 Envelope glycoprotein B -7.69 N/A N/A N/A N/A
GB_HHV1K Envelope glycoprotein B -6.23 -7.37 N/A N/A N/A
GD_9ALPH Glycoprotein D -7.69 -6.81 N/A N/A N/A
GD_HHV1 Glycoprotein D -6.33 N/A N/A N/A N/A
GP160_HIV1 Envelope glycoprotein gp160 -6.25 -6.72 -6.30 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -6.94 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -7.50 -6.94 -7.58 30.06% CHEMBL3125897
GP_LASSJ Pre-glycoprotein polyprotein GP complex -6.75 -6.28 N/A N/A N/A
HA_A-H10N7 Hemagglutinin -6.68 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -7.25 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -5.91 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -5.96 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -6.06 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 -5.71 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -6.81 -6.43 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -6.09 -6.19 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -6.30 -5.46 -5.69 N/A N/A
HA_A-H3N8 Hemagglutinin -5.87 -5.85 -6.21 N/A N/A
HA_A-H5N1 Hemagglutinin -6.20 -6.14 -6.70 N/A N/A
HA_A-H5N3 Hemagglutinin -6.51 -6.70 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -7.25 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -6.30 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -6.17 -6.18 -5.31 N/A N/A
HA_A-H7N7 Hemagglutinin -6.25 -6.21 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -5.94 N/A N/A N/A N/A
HA_INFB Hemagglutinin -6.29 -6.19 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.29 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.70 -7.00 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -5.47 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -6.31 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -5.06 -5.80 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -8.63 -9.27 -9.02 N/A N/A
MD_MERs Replicase polyprotein 1a -8.17 -9.75 N/A N/A N/A
MEM_9FLAV Core protein -6.10 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -6.20 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -7.26 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 4.12 N/A N/A N/A N/A
MX_9MONO Matrix protein VP40 -8.10 N/A N/A N/A N/A
MX_LASSJ RING finger protein Z -5.24 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -7.55 -7.61 -7.70 N/A N/A
NA_A-H11N9 Neuraminidase -6.38 -8.57 -7.95 N/A N/A
NA_A-H12N5 Neuraminidase -7.33 -7.16 -7.97 N/A N/A
NA_A-H13N9 Neuraminidase -5.94 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -6.84 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -6.42 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -7.78 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -7.87 -7.72 -7.73 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -7.46 -6.92 N/A N/A N/A
NA_A-H3N8 Neuraminidase -8.25 -8.06 -7.76 26.76% CHEMBL674
NA_A-H5N1 Neuraminidase -8.18 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -7.96 -8.05 -7.63 N/A N/A
NA_INFB Neuraminidase -6.96 -7.33 N/A 51.46% CHEMBL369125
NP_9ADNV Nucleoprotein -5.31 -7.81 N/A N/A N/A
NP_A-H1N1 Nucleoprotein -6.31 -6.24 -6.12 N/A N/A
NP_A-H5N1 Nucleoprotein -6.57 N/A N/A N/A N/A
NP_EBOZM Nucleoprotein -6.40 -6.02 -7.29 N/A N/A
NP_HCoV-NL63 Nucleoprotein -6.79 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -7.50 -6.67 -6.14 13.22% CHEMBL3233481
NP_INFB Nucleoprotein -5.57 N/A N/A N/A N/A
NP_INFD NP -5.04 N/A N/A N/A N/A
NP_LASSJ Nucleoprotein -9.49 -8.94 -4.45 N/A N/A
NP_SARS Nucleoprotein -7.30 N/A N/A N/A N/A
NS1_9CALI NTPase -5.29 -5.32 -6.10 N/A N/A
NS1_9FLAV Non-structural protein 1 -6.10 N/A N/A N/A N/A
NS1_DEN1W Genome polyprotein -5.66 N/A N/A N/A N/A
NS1_ZIKV Core protein 6.08 -6.76 -7.49 N/A N/A
NS2A_9FLAV Core protein -4.63 N/A N/A N/A N/A
NS2B_DEN1W Genome polyprotein -7.53 N/A N/A N/A N/A
NS2B_DEN2P Genome polyprotein -6.19 -7.16 N/A N/A N/A
NS2B_ZIKV Genome polyprotein -6.46 -6.37 N/A N/A N/A
NS2B_ZIKVF Genome polyprotein -7.43 N/A N/A N/A N/A
NS3_9FLAV Core protein -9.18 N/A N/A N/A N/A
NS3_DEN4T Genome polyprotein -7.96 -7.94 N/A N/A N/A
NS3_HCV1A Genome polyprotein -6.28 -7.39 -6.70 52.43% CHEMBL3645608
NS3_HCV1B Genome polyprotein -7.00 -6.38 -7.39 86.59% CHEMBL3921185
NS3_HCV3A Genome polyprotein -7.05 -8.00 -7.57 N/A N/A
NS3_ZIKV Genome polyprotein -8.40 N/A N/A N/A N/A
NS5B_HCV1A Genome polyprotein -8.84 -9.26 -9.34 59.38% CHEMBL13443
NS5B_HCV1B Genome polyprotein -7.79 -7.42 -7.14 20.16% CHEMBL3422106
NS5B_HCV2A Genome polyprotein -9.03 -5.91 N/A 35.42% CHEMBL3127326
NS5_9FLAV Core protein -8.05 N/A N/A N/A N/A
NS5_DEN3S Genome polyprotein -7.10 -8.93 N/A N/A N/A
NS5_ZIKV Genome polyprotein -7.87 -5.44 N/A N/A N/A
NS5_ZIKVF Genome polyprotein -7.20 N/A N/A N/A N/A
NS6_9CALI NTPase -5.00 -5.67 -6.01 N/A N/A
NSP15_SARS Replicase polyprotein 1ab -6.51 N/A N/A 45.52% CHEMBL2441745
NSP15_SARS2 Replicase polyprotein 1ab -7.16 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -5.81 -6.56 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -6.28 N/A N/A 45.52% CHEMBL2441745
NSP3_HCoV-229E Replicase polyprotein 1a -7.73 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -7.53 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -6.40 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -6.65 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -6.81 -7.03 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -8.01 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -7.86 -8.05 -8.13 N/A N/A
PA_A-H5N1 Polymerase acidic protein -8.04 -8.32 -8.10 N/A N/A
PA_INFA Polymerase acidic protein -8.27 -7.21 -8.03 22.90% CHEMBL2040554
PA_INFB Polymerase acidic protein -7.97 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -7.10 -7.18 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -6.30 -6.88 -6.69 N/A N/A
PB2_INFB Polymerase basic protein 2 -6.98 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 -7.79 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -6.91 -7.68 -8.00 38.41% CHEMBL213054
PLP_SARS2 papain-like protease -6.15 N/A N/A N/A N/A
PM_9VIRU RNA-directed RNA polymerase L -8.00 -7.79 N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -7.80 N/A N/A 46.85% CHEMBL4214066
PR_HCoV-229E Replicase polyprotein 1a -7.74 -7.50 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -4.56 -7.78 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -6.21 -6.65 -6.14 18.23% CHEMBL492666
PR_HIV2 Gag-Pol polyprotein -7.13 -6.60 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -6.49 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -6.87 -6.30 -6.51 N/A N/A
PR_IBV Replicase polyprotein 1a -7.67 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -6.72 -7.46 N/A N/A N/A
PR_PEDV 3C-like proteinase -7.57 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -7.57 -7.58 -8.06 45.52% CHEMBL2441745
PR_SARS2 3C-like protease -7.43 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -7.19 N/A N/A N/A N/A
P_9CALI Norovirus P domain protein -7.42 N/A N/A N/A N/A
P_NVN68 Capsid protein VP1 -5.58 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -6.62 N/A N/A 8.88% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -8.17 -8.45 -8.27 30.08% CHEMBL3787468
SPIKE_HCoV-229E Spike glycoprotein -5.05 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -5.82 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -6.86 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -6.70 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -6.00 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -6.48 -6.30 -5.29 N/A N/A
SPIKE_MHV Spike glycoprotein -6.42 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -6.25 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -5.95 -6.56 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -5.86 -5.74 -6.27 N/A N/A
VP1_9CALI Capsid protein -7.59 N/A N/A N/A N/A
VP1_NVN68 Capsid protein VP1 -5.63 N/A N/A N/A N/A
VP24_EBORE Membrane-associated protein VP24 -5.00 N/A N/A N/A N/A
VP24_EBOSU Membrane-associated protein VP24 -5.72 N/A N/A N/A N/A
VP24_EBOZM Membrane-associated protein VP24 -5.94 N/A N/A N/A N/A
VP30_9MONO Minor nucleoprotein VP30 -5.98 N/A N/A N/A N/A
VP30_EBOZ5 Transcriptional activator VP30 -6.50 N/A N/A N/A N/A
VP30_EBOZM Transcriptional activator VP30 -6.66 N/A N/A N/A N/A
VP35_EBORR Polymerase cofactor VP35 -6.20 N/A N/A N/A N/A
VP35_EBOZM Polymerase cofactor VP35 -5.98 -6.13 -6.29 N/A N/A
VP40_EBOZM Matrix protein VP40 -5.63 -5.60 N/A N/A N/A