abbas #569 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 -7.05 N/A N/A N/A N/A
2A_HE71M Genome polyprotein -7.04 N/A N/A N/A N/A
2C_HE71 Genome polyprotein -5.77 -7.65 N/A N/A N/A
3A_9ENTO Genome polyprotein -6.13 N/A N/A N/A N/A
3A_HE71M Genome polyprotein -6.77 N/A N/A N/A N/A
3A_HED68 Genome polyprotein -5.88 N/A N/A N/A N/A
3C_HE71 Genome polyprotein -6.52 -6.68 N/A N/A N/A
3C_HED68 Genome polyprotein -6.38 N/A N/A N/A N/A
3D_HE71 Genome polyprotein -8.56 N/A N/A N/A N/A
3D_HED68 Genome polyprotein -8.42 N/A N/A N/A N/A
ACE2_HUMAN angiotensin converting enzyme 2 -9.93 N/A N/A 26.09% CHEMBL254493
CAPSD_9CALI Capsid protein -8.13 -7.27 -8.91 N/A N/A
CAPSD_9ENTO Genome polyprotein -10.16 N/A N/A N/A N/A
CAPSD_DEN2P Genome polyprotein -6.16 N/A N/A N/A N/A
CAPSD_HCV77 Genome polyprotein -5.25 N/A N/A 22.88% CHEMBL3932962
CAPSD_HED68 Capsid protein VP0 -7.94 -8.76 N/A N/A N/A
CAPSD_ZIKV Core protein -5.10 -5.99 N/A N/A N/A
DPM_HHV1K DNA polymerase catalytic subunit -7.18 N/A N/A 19.08% CHEMBL481172
E1_9HEPC Envelope glycoprotein E1 -6.16 N/A N/A N/A N/A
E1_HCV77 Genome polyprotein -4.22 N/A N/A 22.88% CHEMBL3932962
E1_HCVJ1 Genome polyprotein -4.94 N/A N/A N/A N/A
E2_9HEPC Core protein precursor -9.83 N/A N/A N/A N/A
E2_HCV77 Genome polyprotein -6.70 N/A N/A 22.88% CHEMBL3932962
ENV_9FLAV Envelope protein E -5.68 N/A N/A N/A N/A
ENV_DEN1B Genome polyprotein -5.40 N/A N/A N/A N/A
ENV_DEN2P Genome polyprotein -7.04 N/A N/A N/A N/A
ENV_DEN3P Genome polyprotein -6.26 N/A N/A N/A N/A
ENV_HHV2H Envelope glycoprotein H -6.86 N/A N/A N/A N/A
ENV_ZIKV Core protein -6.81 N/A N/A N/A N/A
ENV_ZIKVK Genome polyprotein -6.54 N/A N/A N/A N/A
G1_ADNV Envelope polyprotein -3.68 -6.76 -6.54 N/A N/A
G2_ADNV Envelope polyprotein -9.55 -7.86 -7.57 N/A N/A
GB_HHV11 Envelope glycoprotein B -8.17 N/A N/A N/A N/A
GB_HHV1K Envelope glycoprotein B -7.84 -7.22 N/A N/A N/A
GD_9ALPH Glycoprotein D -7.44 -6.90 N/A N/A N/A
GD_HHV1 Glycoprotein D -6.32 N/A N/A N/A N/A
GP160_HIV1 Envelope glycoprotein gp160 -6.71 -6.75 -6.97 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -7.73 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -8.00 -6.60 -6.96 17.16% CHEMBL1655
GP_LASSJ Pre-glycoprotein polyprotein GP complex -7.30 -6.69 N/A N/A N/A
HA_A-H10N7 Hemagglutinin -7.81 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -6.60 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -6.43 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -7.76 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -6.84 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -6.55 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -6.17 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -7.44 -7.81 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -6.83 -6.43 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -6.63 -6.69 -6.75 N/A N/A
HA_A-H3N8 Hemagglutinin -7.07 -7.02 -7.27 N/A N/A
HA_A-H5N1 Hemagglutinin -6.72 -7.66 -6.77 N/A N/A
HA_A-H5N3 Hemagglutinin -6.87 -7.08 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -6.60 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -6.78 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -6.04 -5.99 -6.40 N/A N/A
HA_A-H7N7 Hemagglutinin -6.40 -7.27 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -6.26 N/A N/A N/A N/A
HA_INFB Hemagglutinin -7.28 -6.43 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.28 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.36 -6.57 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -5.97 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -6.47 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -5.67 -5.59 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -7.65 -7.51 -7.86 N/A N/A
MD_MERs Replicase polyprotein 1a -9.54 -8.04 N/A N/A N/A
MEM_9FLAV Core protein -6.66 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -6.34 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -8.36 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -4.22 N/A N/A N/A N/A
MX_9MONO Matrix protein VP40 -8.41 N/A N/A N/A N/A
MX_LASSJ RING finger protein Z -6.28 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -8.29 -7.84 -8.08 N/A N/A
NA_A-H11N9 Neuraminidase -6.54 -8.11 -8.19 N/A N/A
NA_A-H12N5 Neuraminidase -7.84 -8.27 -8.19 N/A N/A
NA_A-H13N9 Neuraminidase -6.48 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -6.95 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -7.14 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -7.65 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -8.27 -8.43 -7.76 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -7.89 -7.07 N/A N/A N/A
NA_A-H3N8 Neuraminidase -8.12 -7.71 -7.87 17.81% CHEMBL4285767
NA_A-H5N1 Neuraminidase -7.71 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -7.91 -7.90 -7.70 N/A N/A
NA_INFB Neuraminidase -8.08 -7.88 N/A 22.89% CHEMBL81286
NP_9ADNV Nucleoprotein -5.78 -8.95 N/A N/A N/A
NP_A-H1N1 Nucleoprotein -6.09 -6.80 -7.31 N/A N/A
NP_A-H5N1 Nucleoprotein -6.10 N/A N/A N/A N/A
NP_EBOZM Nucleoprotein -6.08 -7.48 -7.42 N/A N/A
NP_HCoV-NL63 Nucleoprotein -7.38 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -10.09 -6.71 -6.44 9.58% CHEMBL3233481
NP_INFB Nucleoprotein -6.21 N/A N/A N/A N/A
NP_INFD NP -5.34 N/A N/A N/A N/A
NP_LASSJ Nucleoprotein -10.44 -9.81 -6.08 N/A N/A
NP_SARS Nucleoprotein -8.46 N/A N/A N/A N/A
NS1_9CALI NTPase -6.05 -5.86 -7.12 N/A N/A
NS1_9FLAV Non-structural protein 1 -6.13 N/A N/A N/A N/A
NS1_DEN1W Genome polyprotein -6.13 N/A N/A N/A N/A
NS1_ZIKV Core protein 6.10 -7.18 -7.33 N/A N/A
NS2A_9FLAV Core protein -4.71 N/A N/A N/A N/A
NS2B_DEN1W Genome polyprotein -7.94 N/A N/A N/A N/A
NS2B_DEN2P Genome polyprotein -6.69 -8.84 N/A N/A N/A
NS2B_ZIKV Genome polyprotein -7.68 -7.29 N/A N/A N/A
NS2B_ZIKVF Genome polyprotein -7.46 N/A N/A N/A N/A
NS3_9FLAV Core protein -9.03 N/A N/A N/A N/A
NS3_DEN4T Genome polyprotein -8.83 -8.02 N/A N/A N/A
NS3_HCV1A Genome polyprotein -7.98 -6.54 -8.99 22.88% CHEMBL3932962
NS3_HCV1B Genome polyprotein -7.69 -8.87 -6.43 16.46% CHEMBL3954962
NS3_HCV3A Genome polyprotein -6.99 -6.53 -7.15 N/A N/A
NS3_ZIKV Genome polyprotein -8.77 N/A N/A N/A N/A
NS5B_HCV1A Genome polyprotein -8.45 -8.71 -8.73 25.43% CHEMBL446360
NS5B_HCV1B Genome polyprotein -7.87 -7.85 -7.73 30.00% CHEMBL4111989
NS5B_HCV2A Genome polyprotein -9.24 -9.18 N/A 18.14% CHEMBL3127326
NS5_9FLAV Core protein -9.26 N/A N/A N/A N/A
NS5_DEN3S Genome polyprotein -7.58 -8.17 N/A N/A N/A
NS5_ZIKV Genome polyprotein -8.62 -5.73 N/A N/A N/A
NS5_ZIKVF Genome polyprotein -8.36 N/A N/A N/A N/A
NS6_9CALI NTPase -4.95 -6.22 -7.03 N/A N/A
NSP15_SARS Replicase polyprotein 1ab -7.08 N/A N/A 20.83% CHEMBL2441741
NSP15_SARS2 Replicase polyprotein 1ab -8.02 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -6.44 -5.58 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -6.51 N/A N/A 20.83% CHEMBL2441741
NSP3_HCoV-229E Replicase polyprotein 1a -9.16 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -8.48 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -5.61 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -7.58 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -5.72 -6.07 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -8.28 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -7.75 -8.13 -9.11 N/A N/A
PA_A-H5N1 Polymerase acidic protein -9.03 -8.64 -8.69 N/A N/A
PA_INFA Polymerase acidic protein -7.83 -7.59 -7.83 30.82% CHEMBL4457315
PA_INFB Polymerase acidic protein -8.12 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -7.87 -9.00 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -7.60 -7.24 -8.37 N/A N/A
PB2_INFB Polymerase basic protein 2 -7.50 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -8.76 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -8.43 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -8.34 -8.88 -8.24 23.59% CHEMBL426898
PLP_SARS2 papain-like protease -6.54 N/A N/A N/A N/A
PM_9VIRU RNA-directed RNA polymerase L -7.90 -7.63 N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -7.35 N/A N/A 18.57% CHEMBL4214471
PR_HCoV-229E Replicase polyprotein 1a -7.53 -7.46 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -5.11 -7.60 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -6.49 -7.98 -7.19 25.23% CHEMBL3645127
PR_HIV2 Gag-Pol polyprotein -8.26 -6.55 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -7.67 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -7.47 -7.41 -7.35 N/A N/A
PR_IBV Replicase polyprotein 1a -7.72 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -8.16 -7.55 N/A N/A N/A
PR_PEDV 3C-like proteinase -7.64 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -9.09 -8.12 -7.91 20.83% CHEMBL2441741
PR_SARS2 3C-like protease -8.12 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -7.42 N/A N/A N/A N/A
P_9CALI Norovirus P domain protein -7.23 N/A N/A N/A N/A
P_NVN68 Capsid protein VP1 -5.87 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -7.42 N/A N/A 27.80% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -7.87 -8.62 -9.61 24.53% CHEMBL3775172
SPIKE_HCoV-229E Spike glycoprotein -5.84 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -6.07 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -6.64 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -7.48 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -6.15 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -8.10 -7.41 -5.83 N/A N/A
SPIKE_MHV Spike glycoprotein -7.30 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -6.67 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -6.31 -6.79 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -6.52 -6.05 -6.95 N/A N/A
VP1_9CALI Capsid protein -8.38 N/A N/A N/A N/A
VP1_NVN68 Capsid protein VP1 -6.25 N/A N/A N/A N/A
VP24_EBORE Membrane-associated protein VP24 -5.49 N/A N/A N/A N/A
VP24_EBOSU Membrane-associated protein VP24 -5.35 N/A N/A N/A N/A
VP24_EBOZM Membrane-associated protein VP24 -5.56 N/A N/A N/A N/A
VP30_9MONO Minor nucleoprotein VP30 -6.35 N/A N/A N/A N/A
VP30_EBOZ5 Transcriptional activator VP30 -6.38 N/A N/A N/A N/A
VP30_EBOZM Transcriptional activator VP30 -6.69 N/A N/A N/A N/A
VP35_EBORR Polymerase cofactor VP35 -6.22 N/A N/A N/A N/A
VP35_EBOZM Polymerase cofactor VP35 -6.83 -5.93 -6.28 N/A N/A
VP40_EBOZM Matrix protein VP40 -5.62 -5.60 N/A N/A N/A