abbas #568 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 -3.66 N/A N/A N/A N/A
2A_HE71M Genome polyprotein -3.64 N/A N/A N/A N/A
2C_HE71 Genome polyprotein -2.72 -2.67 N/A N/A N/A
3A_9ENTO Genome polyprotein -3.21 N/A N/A N/A N/A
3A_HE71M Genome polyprotein -2.97 N/A N/A N/A N/A
3A_HED68 Genome polyprotein -3.01 N/A N/A N/A N/A
3C_HE71 Genome polyprotein -2.99 -3.48 N/A N/A N/A
3C_HED68 Genome polyprotein -2.88 N/A N/A N/A N/A
3D_HE71 Genome polyprotein -4.26 N/A N/A N/A N/A
3D_HED68 Genome polyprotein -3.41 N/A N/A N/A N/A
ACE2_HUMAN angiotensin converting enzyme 2 -3.96 N/A N/A 6.12% CHEMBL401086
CAPSD_9CALI Capsid protein -3.27 -3.87 -3.72 N/A N/A
CAPSD_9ENTO Genome polyprotein -4.63 N/A N/A N/A N/A
CAPSD_DEN2P Genome polyprotein -3.70 N/A N/A N/A N/A
CAPSD_HCV77 Genome polyprotein -2.05 N/A N/A 4.41% CHEMBL4110799
CAPSD_HED68 Capsid protein VP0 -4.49 -4.42 N/A N/A N/A
CAPSD_ZIKV Core protein -3.96 -3.49 N/A N/A N/A
DPM_HHV1K DNA polymerase catalytic subunit -3.78 N/A N/A 17.65% CHEMBL29711
E1_9HEPC Envelope glycoprotein E1 -2.86 N/A N/A N/A N/A
E1_HCV77 Genome polyprotein -2.06 N/A N/A 4.41% CHEMBL4110799
E1_HCVJ1 Genome polyprotein -2.58 N/A N/A N/A N/A
E2_9HEPC Core protein precursor -3.40 N/A N/A N/A N/A
E2_HCV77 Genome polyprotein -2.76 N/A N/A 4.41% CHEMBL4110799
ENV_9FLAV Envelope protein E -2.44 N/A N/A N/A N/A
ENV_DEN1B Genome polyprotein -2.62 N/A N/A N/A N/A
ENV_DEN2P Genome polyprotein -3.37 N/A N/A N/A N/A
ENV_DEN3P Genome polyprotein -2.85 N/A N/A N/A N/A
ENV_HHV2H Envelope glycoprotein H -3.38 N/A N/A N/A N/A
ENV_ZIKV Core protein -2.61 N/A N/A N/A N/A
ENV_ZIKVK Genome polyprotein -2.52 N/A N/A N/A N/A
G1_ADNV Envelope polyprotein -2.47 -3.16 -3.10 N/A N/A
G2_ADNV Envelope polyprotein -3.76 -3.69 -2.81 N/A N/A
GB_HHV11 Envelope glycoprotein B -2.82 N/A N/A N/A N/A
GB_HHV1K Envelope glycoprotein B -4.03 -3.78 N/A N/A N/A
GD_9ALPH Glycoprotein D -3.16 -3.65 N/A N/A N/A
GD_HHV1 Glycoprotein D -2.73 N/A N/A N/A N/A
GP160_HIV1 Envelope glycoprotein gp160 -4.81 -4.74 -4.53 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -3.38 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -3.87 -4.14 -4.07 9.68% CHEMBL112570
GP_LASSJ Pre-glycoprotein polyprotein GP complex -3.41 -3.19 N/A N/A N/A
HA_A-H10N7 Hemagglutinin -3.57 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -3.50 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -3.26 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -3.70 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -3.27 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -2.91 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -2.69 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -3.36 -3.03 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -2.82 -2.85 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -3.04 -2.95 -2.88 N/A N/A
HA_A-H3N8 Hemagglutinin -2.93 -3.10 -3.12 N/A N/A
HA_A-H5N1 Hemagglutinin -3.35 -3.72 -3.48 N/A N/A
HA_A-H5N3 Hemagglutinin -3.64 -3.29 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -3.50 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -3.55 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -3.30 -3.04 -3.21 N/A N/A
HA_A-H7N7 Hemagglutinin -3.54 -3.16 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -3.18 N/A N/A N/A N/A
HA_INFB Hemagglutinin -2.98 -3.21 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -3.75 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -4.11 -3.78 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -3.14 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -3.01 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -2.89 -2.83 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -4.27 -4.09 -4.08 N/A N/A
MD_MERs Replicase polyprotein 1a -4.17 -3.95 N/A N/A N/A
MEM_9FLAV Core protein -3.21 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -3.33 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -3.47 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -4.11 N/A N/A N/A N/A
MX_9MONO Matrix protein VP40 -4.03 N/A N/A N/A N/A
MX_LASSJ RING finger protein Z -2.79 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -3.45 -3.44 -3.35 N/A N/A
NA_A-H11N9 Neuraminidase -4.46 -3.68 -4.10 N/A N/A
NA_A-H12N5 Neuraminidase -3.41 -3.43 -3.47 N/A N/A
NA_A-H13N9 Neuraminidase -4.06 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -3.10 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -2.95 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -4.39 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -3.39 -3.40 -3.24 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -2.93 -3.03 N/A N/A N/A
NA_A-H3N8 Neuraminidase -3.33 -4.27 -3.36 2.80% CHEMBL674
NA_A-H5N1 Neuraminidase -4.44 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -3.99 -4.04 -3.99 N/A N/A
NA_INFB Neuraminidase -3.42 -3.47 N/A 4.76% CHEMBL335808
NP_9ADNV Nucleoprotein -2.97 -3.91 N/A N/A N/A
NP_A-H1N1 Nucleoprotein -3.94 -4.03 -3.70 N/A N/A
NP_A-H5N1 Nucleoprotein -3.99 N/A N/A N/A N/A
NP_EBOZM Nucleoprotein -3.47 -2.78 -3.54 N/A N/A
NP_HCoV-NL63 Nucleoprotein -2.70 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -4.17 -4.11 -3.79 1.52% CHEMBL3233481
NP_INFB Nucleoprotein -2.49 N/A N/A N/A N/A
NP_INFD NP -2.90 N/A N/A N/A N/A
NP_LASSJ Nucleoprotein -4.34 -4.47 -2.53 N/A N/A
NP_SARS Nucleoprotein -3.50 N/A N/A N/A N/A
NS1_9CALI NTPase -3.29 -2.74 -3.22 N/A N/A
NS1_9FLAV Non-structural protein 1 -3.60 N/A N/A N/A N/A
NS1_DEN1W Genome polyprotein -2.83 N/A N/A N/A N/A
NS1_ZIKV Core protein -3.78 -3.66 -3.17 N/A N/A
NS2A_9FLAV Core protein -2.78 N/A N/A N/A N/A
NS2B_DEN1W Genome polyprotein -3.01 N/A N/A N/A N/A
NS2B_DEN2P Genome polyprotein -3.87 -3.45 N/A N/A N/A
NS2B_ZIKV Genome polyprotein -3.70 -3.56 N/A N/A N/A
NS2B_ZIKVF Genome polyprotein -4.24 N/A N/A N/A N/A
NS3_9FLAV Core protein -3.37 N/A N/A N/A N/A
NS3_DEN4T Genome polyprotein -3.57 -3.57 N/A N/A N/A
NS3_HCV1A Genome polyprotein -3.74 -3.62 -3.89 4.41% CHEMBL4110799
NS3_HCV1B Genome polyprotein -3.60 -3.78 -3.40 3.75% CHEMBL3921185
NS3_HCV3A Genome polyprotein -3.24 -3.38 -3.28 N/A N/A
NS3_ZIKV Genome polyprotein -3.42 N/A N/A N/A N/A
NS5B_HCV1A Genome polyprotein -3.72 -4.73 -4.68 3.75% CHEMBL13443
NS5B_HCV1B Genome polyprotein -4.01 -4.16 -4.10 1.75% CHEMBL3645203
NS5B_HCV2A Genome polyprotein -4.44 -4.30 N/A 2.46% CHEMBL3127326
NS5_9FLAV Core protein -3.66 N/A N/A N/A N/A
NS5_DEN3S Genome polyprotein -3.17 -4.13 N/A N/A N/A
NS5_ZIKV Genome polyprotein -3.67 -2.73 N/A N/A N/A
NS5_ZIKVF Genome polyprotein -3.74 N/A N/A N/A N/A
NS6_9CALI NTPase -2.71 -3.14 -2.77 N/A N/A
NSP15_SARS Replicase polyprotein 1ab -2.97 N/A N/A 4.92% CHEMBL1092796
NSP15_SARS2 Replicase polyprotein 1ab -3.16 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -3.59 -2.88 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -2.97 N/A N/A 4.92% CHEMBL1092796
NSP3_HCoV-229E Replicase polyprotein 1a -4.31 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -4.16 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -3.80 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -3.54 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -4.02 -4.33 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -3.30 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -3.82 -3.62 -3.28 N/A N/A
PA_A-H5N1 Polymerase acidic protein -3.18 -3.08 -3.16 N/A N/A
PA_INFA Polymerase acidic protein -4.53 -3.09 -3.36 4.55% CHEMBL4527067
PA_INFB Polymerase acidic protein -3.39 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -3.96 -4.05 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -3.87 -3.92 -3.59 N/A N/A
PB2_INFB Polymerase basic protein 2 -4.01 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -4.03 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -3.60 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -4.13 -4.33 -4.26 2.54% CHEMBL213054
PLP_SARS2 papain-like protease -3.36 N/A N/A N/A N/A
PM_9VIRU RNA-directed RNA polymerase L -4.24 -4.49 N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -3.17 N/A N/A 3.33% CHEMBL4214066
PR_HCoV-229E Replicase polyprotein 1a -3.20 -3.22 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -2.96 -3.50 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -3.24 -3.45 -3.43 2.13% CHEMBL492666
PR_HIV2 Gag-Pol polyprotein -3.66 -2.91 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -2.92 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -3.29 -3.68 -3.39 N/A N/A
PR_IBV Replicase polyprotein 1a -3.31 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -3.54 -3.51 N/A N/A N/A
PR_PEDV 3C-like proteinase -3.29 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -2.88 -3.06 -3.40 4.92% CHEMBL1092796
PR_SARS2 3C-like protease -2.79 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -3.45 N/A N/A N/A N/A
P_9CALI Norovirus P domain protein -3.93 N/A N/A N/A N/A
P_NVN68 Capsid protein VP1 -2.95 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -3.61 N/A N/A 1.16% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -4.45 -4.96 -5.22 6.38% CHEMBL404519
SPIKE_HCoV-229E Spike glycoprotein -2.39 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -2.75 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -3.52 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -3.24 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -3.54 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -3.28 -3.02 -2.88 N/A N/A
SPIKE_MHV Spike glycoprotein -3.12 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -3.47 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -3.22 -3.54 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -3.03 -3.46 -3.60 N/A N/A
VP1_9CALI Capsid protein -3.19 N/A N/A N/A N/A
VP1_NVN68 Capsid protein VP1 -3.03 N/A N/A N/A N/A
VP24_EBORE Membrane-associated protein VP24 -3.14 N/A N/A N/A N/A
VP24_EBOSU Membrane-associated protein VP24 -2.16 N/A N/A N/A N/A
VP24_EBOZM Membrane-associated protein VP24 -2.78 N/A N/A N/A N/A
VP30_9MONO Minor nucleoprotein VP30 -2.92 N/A N/A N/A N/A
VP30_EBOZ5 Transcriptional activator VP30 -3.52 N/A N/A N/A N/A
VP30_EBOZM Transcriptional activator VP30 -3.70 N/A N/A N/A N/A
VP35_EBORR Polymerase cofactor VP35 -3.42 N/A N/A N/A N/A
VP35_EBOZM Polymerase cofactor VP35 -3.42 -3.35 -3.52 N/A N/A
VP40_EBOZM Matrix protein VP40 -3.17 -3.05 N/A N/A N/A