sameer #469 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 -5.68 N/A N/A N/A N/A
2A_HE71M Genome polyprotein -5.68 N/A N/A N/A N/A
2C_HE71 Genome polyprotein -4.36 -4.54 N/A N/A N/A
3A_9ENTO Genome polyprotein -4.76 N/A N/A N/A N/A
3A_HE71M Genome polyprotein -4.83 N/A N/A N/A N/A
3A_HED68 Genome polyprotein -4.52 N/A N/A N/A N/A
3C_HE71 Genome polyprotein -5.23 -4.91 N/A N/A N/A
3C_HED68 Genome polyprotein -4.09 N/A N/A N/A N/A
3D_HE71 Genome polyprotein -6.81 N/A N/A N/A N/A
3D_HED68 Genome polyprotein -5.65 N/A N/A N/A N/A
ACE2_HUMAN angiotensin converting enzyme 2 -6.53 N/A N/A 25.88% CHEMBL400526
CAPSD_9CALI Capsid protein -5.57 -5.54 -5.97 N/A N/A
CAPSD_9ENTO Genome polyprotein -7.59 N/A N/A N/A N/A
CAPSD_DEN2P Genome polyprotein -6.56 N/A N/A N/A N/A
CAPSD_HCV77 Genome polyprotein -3.40 N/A N/A 28.38% CHEMBL4110799
CAPSD_HED68 Capsid protein VP0 -7.69 -7.33 N/A N/A N/A
CAPSD_ZIKV Core protein -6.11 -5.63 N/A N/A N/A
DPM_HHV1K DNA polymerase catalytic subunit -6.92 N/A N/A 15.79% CHEMBL29711
E1_9HEPC Envelope glycoprotein E1 -4.32 N/A N/A N/A N/A
E1_HCV77 Genome polyprotein -3.93 N/A N/A 28.38% CHEMBL4110799
E1_HCVJ1 Genome polyprotein -3.85 N/A N/A N/A N/A
E2_9HEPC Core protein precursor -6.64 N/A N/A N/A N/A
E2_HCV77 Genome polyprotein -4.57 N/A N/A 28.38% CHEMBL4110799
ENV_9FLAV Envelope protein E -3.72 N/A N/A N/A N/A
ENV_DEN1B Genome polyprotein -3.93 N/A N/A N/A N/A
ENV_DEN2P Genome polyprotein -5.04 N/A N/A N/A N/A
ENV_DEN3P Genome polyprotein -5.40 N/A N/A N/A N/A
ENV_HHV2H Envelope glycoprotein H -5.71 N/A N/A N/A N/A
ENV_ZIKV Core protein -3.85 N/A N/A N/A N/A
ENV_ZIKVK Genome polyprotein -4.13 N/A N/A N/A N/A
G1_ADNV Envelope polyprotein -3.49 -5.44 -5.39 N/A N/A
G2_ADNV Envelope polyprotein -5.94 -5.96 -4.52 N/A N/A
GB_HHV11 Envelope glycoprotein B -5.95 N/A N/A N/A N/A
GB_HHV1K Envelope glycoprotein B -6.62 -6.36 N/A N/A N/A
GD_9ALPH Glycoprotein D -5.23 -5.00 N/A N/A N/A
GD_HHV1 Glycoprotein D -4.70 N/A N/A N/A N/A
GP160_HIV1 Envelope glycoprotein gp160 -6.34 -5.95 -4.13 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -5.31 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -6.19 -6.20 -6.33 24.71% CHEMBL1655
GP_LASSJ Pre-glycoprotein polyprotein GP complex -4.41 -4.90 N/A N/A N/A
HA_A-H10N7 Hemagglutinin -5.71 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -5.40 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -5.23 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -5.46 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -5.21 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -4.05 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -3.91 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -5.21 -4.86 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -4.34 -4.67 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -4.91 -4.80 -4.89 N/A N/A
HA_A-H3N8 Hemagglutinin -5.07 -5.06 -5.01 N/A N/A
HA_A-H5N1 Hemagglutinin -4.89 -5.35 -5.13 N/A N/A
HA_A-H5N3 Hemagglutinin -5.73 -5.19 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -5.40 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -5.17 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -5.46 -4.68 -5.28 N/A N/A
HA_A-H7N7 Hemagglutinin -5.18 -5.17 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -5.18 N/A N/A N/A N/A
HA_INFB Hemagglutinin -5.06 -5.15 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -4.98 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -5.94 -5.23 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -5.05 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -4.87 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -4.61 -4.52 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -6.90 -6.96 -7.03 N/A N/A
MD_MERs Replicase polyprotein 1a -6.92 -6.54 N/A N/A N/A
MEM_9FLAV Core protein -4.73 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -4.53 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -5.31 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -6.32 N/A N/A N/A N/A
MX_9MONO Matrix protein VP40 -6.19 N/A N/A N/A N/A
MX_LASSJ RING finger protein Z -4.35 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -5.46 -5.44 -5.34 N/A N/A
NA_A-H11N9 Neuraminidase -6.53 -5.55 -5.81 N/A N/A
NA_A-H12N5 Neuraminidase -5.80 -5.57 -5.52 N/A N/A
NA_A-H13N9 Neuraminidase -4.59 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -5.10 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -5.12 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -6.35 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -5.61 -5.35 -5.55 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -4.66 -4.93 N/A N/A N/A
NA_A-H3N8 Neuraminidase -5.43 -6.30 -5.54 13.70% CHEMBL4285767
NA_A-H5N1 Neuraminidase -6.07 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -5.71 -5.68 -5.72 N/A N/A
NA_INFB Neuraminidase -5.35 -5.60 N/A 20.16% CHEMBL81286
NP_9ADNV Nucleoprotein -4.07 -6.49 N/A N/A N/A
NP_A-H1N1 Nucleoprotein -5.62 -7.30 -5.65 N/A N/A
NP_A-H5N1 Nucleoprotein -5.76 N/A N/A N/A N/A
NP_EBOZM Nucleoprotein -6.10 -4.37 -5.28 N/A N/A
NP_HCoV-NL63 Nucleoprotein -4.32 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -7.35 -6.27 -5.69 9.64% CHEMBL3233481
NP_INFB Nucleoprotein -4.04 N/A N/A N/A N/A
NP_INFD NP -4.63 N/A N/A N/A N/A
NP_LASSJ Nucleoprotein -7.36 -7.71 -3.68 N/A N/A
NP_SARS Nucleoprotein -5.28 N/A N/A N/A N/A
NS1_9CALI NTPase -5.01 -4.52 -4.73 N/A N/A
NS1_9FLAV Non-structural protein 1 -5.96 N/A N/A N/A N/A
NS1_DEN1W Genome polyprotein -4.35 N/A N/A N/A N/A
NS1_ZIKV Core protein -6.41 -5.55 -4.94 N/A N/A
NS2A_9FLAV Core protein -4.50 N/A N/A N/A N/A
NS2B_DEN1W Genome polyprotein -5.18 N/A N/A N/A N/A
NS2B_DEN2P Genome polyprotein -6.26 -5.34 N/A N/A N/A
NS2B_ZIKV Genome polyprotein -5.67 -5.39 N/A N/A N/A
NS2B_ZIKVF Genome polyprotein -5.87 N/A N/A N/A N/A
NS3_9FLAV Core protein -5.55 N/A N/A N/A N/A
NS3_DEN4T Genome polyprotein -6.18 -5.46 N/A N/A N/A
NS3_HCV1A Genome polyprotein -6.25 -4.86 -5.96 28.38% CHEMBL4110799
NS3_HCV1B Genome polyprotein -6.16 -5.78 -4.95 9.52% CHEMBL3954962
NS3_HCV3A Genome polyprotein -5.28 -5.23 -4.96 N/A N/A
NS3_ZIKV Genome polyprotein -6.01 N/A N/A N/A N/A
NS5B_HCV1A Genome polyprotein -5.60 -6.77 -6.57 29.07% CHEMBL175894
NS5B_HCV1B Genome polyprotein -6.58 -6.63 -6.47 12.77% CHEMBL99408
NS5B_HCV2A Genome polyprotein -7.29 -6.91 N/A 21.14% CHEMBL3127326
NS5_9FLAV Core protein -5.68 N/A N/A N/A N/A
NS5_DEN3S Genome polyprotein -4.81 -5.89 N/A N/A N/A
NS5_ZIKV Genome polyprotein -5.70 -4.65 N/A N/A N/A
NS5_ZIKVF Genome polyprotein -5.69 N/A N/A N/A N/A
NS6_9CALI NTPase -4.04 -4.69 -4.65 N/A N/A
NSP15_SARS Replicase polyprotein 1ab -4.99 N/A N/A 19.66% CHEMBL2441741
NSP15_SARS2 Replicase polyprotein 1ab -5.31 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -5.29 -5.16 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -4.52 N/A N/A 19.66% CHEMBL2441741
NSP3_HCoV-229E Replicase polyprotein 1a -7.14 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -6.57 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -5.63 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -5.94 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -6.74 -5.26 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -5.01 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -6.39 -5.74 -5.44 N/A N/A
PA_A-H5N1 Polymerase acidic protein -5.40 -5.28 -5.44 N/A N/A
PA_INFA Polymerase acidic protein -7.12 -5.01 -5.03 27.78% CHEMBL2040554
PA_INFB Polymerase acidic protein -5.24 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -6.22 -6.71 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -6.05 -6.17 -6.47 N/A N/A
PB2_INFB Polymerase basic protein 2 -6.62 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -6.69 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -6.10 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -7.08 -7.14 -7.07 14.29% CHEMBL358279
PLP_SARS2 papain-like protease -4.69 N/A N/A N/A N/A
PM_9VIRU RNA-directed RNA polymerase L -6.84 -5.66 N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -5.02 N/A N/A 18.94% CHEMBL4214471
PR_HCoV-229E Replicase polyprotein 1a -5.10 -4.74 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -5.06 -5.17 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -5.33 -5.32 -5.61 17.48% CHEMBL492666
PR_HIV2 Gag-Pol polyprotein -5.87 -4.78 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -5.07 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -4.77 -5.40 -5.39 N/A N/A
PR_IBV Replicase polyprotein 1a -5.30 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -5.15 -5.17 N/A N/A N/A
PR_PEDV 3C-like proteinase -5.05 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -4.85 -4.61 -5.00 19.66% CHEMBL2441741
PR_SARS2 3C-like protease -4.77 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -5.12 N/A N/A N/A N/A
P_9CALI Norovirus P domain protein -6.45 N/A N/A N/A N/A
P_NVN68 Capsid protein VP1 -4.43 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -4.84 N/A N/A 10.04% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -7.82 -8.05 -8.20 34.18% CHEMBL3775172
SPIKE_HCoV-229E Spike glycoprotein -4.25 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -4.52 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -4.62 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -4.96 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -5.14 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -5.18 -4.68 -4.37 N/A N/A
SPIKE_MHV Spike glycoprotein -5.32 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -4.80 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -4.54 -5.19 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -4.63 -4.57 -5.10 N/A N/A
VP1_9CALI Capsid protein -5.18 N/A N/A N/A N/A
VP1_NVN68 Capsid protein VP1 -4.58 N/A N/A N/A N/A
VP24_EBORE Membrane-associated protein VP24 -4.73 N/A N/A N/A N/A
VP24_EBOSU Membrane-associated protein VP24 -3.50 N/A N/A N/A N/A
VP24_EBOZM Membrane-associated protein VP24 -4.85 N/A N/A N/A N/A
VP30_9MONO Minor nucleoprotein VP30 -4.85 N/A N/A N/A N/A
VP30_EBOZ5 Transcriptional activator VP30 -5.87 N/A N/A N/A N/A
VP30_EBOZM Transcriptional activator VP30 -6.05 N/A N/A N/A N/A
VP35_EBORR Polymerase cofactor VP35 -5.01 N/A N/A N/A N/A
VP35_EBOZM Polymerase cofactor VP35 -5.48 -5.18 -5.36 N/A N/A
VP40_EBOZM Matrix protein VP40 -4.78 -4.83 N/A N/A N/A