aseel2023 #539 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 -8.48 N/A N/A N/A N/A
2A_HE71M Genome polyprotein -8.05 N/A N/A N/A N/A
2C_HE71 Genome polyprotein -6.76 -6.86 N/A N/A N/A
3A_9ENTO Genome polyprotein -6.55 N/A N/A N/A N/A
3A_HE71M Genome polyprotein -7.01 N/A N/A N/A N/A
3A_HED68 Genome polyprotein -7.48 N/A N/A N/A N/A
3C_HE71 Genome polyprotein -7.91 -6.81 N/A N/A N/A
3C_HED68 Genome polyprotein -7.66 N/A N/A N/A N/A
3D_HE71 Genome polyprotein -10.06 N/A N/A N/A N/A
3D_HED68 Genome polyprotein -9.90 N/A N/A N/A N/A
ACE2_HUMAN angiotensin converting enzyme 2 -10.93 N/A N/A 29.57% CHEMBL1240682
CAPSD_9CALI Capsid protein -8.56 -8.64 -9.14 N/A N/A
CAPSD_9ENTO Genome polyprotein -8.24 N/A N/A N/A N/A
CAPSD_DEN2P Genome polyprotein -9.25 N/A N/A N/A N/A
CAPSD_HCV77 Genome polyprotein -5.83 N/A N/A 33.99% CHEMBL4110357
CAPSD_HED68 Capsid protein VP0 -9.32 -7.78 N/A N/A N/A
CAPSD_ZIKV Core protein -7.69 -7.78 N/A N/A N/A
DPM_HHV1K DNA polymerase catalytic subunit -11.57 N/A N/A 24.81% CHEMBL479371
E1_9HEPC Envelope glycoprotein E1 -6.90 N/A N/A N/A N/A
E1_HCV77 Genome polyprotein -5.36 N/A N/A 33.99% CHEMBL4110357
E1_HCVJ1 Genome polyprotein -5.88 N/A N/A N/A N/A
E2_9HEPC Core protein precursor -9.38 N/A N/A N/A N/A
E2_HCV77 Genome polyprotein -7.88 N/A N/A 33.99% CHEMBL4110357
ENV_9FLAV Envelope protein E -6.00 N/A N/A N/A N/A
ENV_DEN1B Genome polyprotein -7.11 N/A N/A N/A N/A
ENV_DEN2P Genome polyprotein -7.79 N/A N/A N/A N/A
ENV_DEN3P Genome polyprotein -7.52 N/A N/A N/A N/A
ENV_HHV2H Envelope glycoprotein H -8.04 N/A N/A N/A N/A
ENV_ZIKV Core protein -6.91 N/A N/A N/A N/A
ENV_ZIKVK Genome polyprotein -7.75 N/A N/A N/A N/A
G1_ADNV Envelope polyprotein 1.22 -7.92 -7.90 N/A N/A
G2_ADNV Envelope polyprotein -9.30 -8.39 -8.10 N/A N/A
GB_HHV11 Envelope glycoprotein B -9.27 N/A N/A N/A N/A
GB_HHV1K Envelope glycoprotein B -8.30 -8.45 N/A N/A N/A
GD_9ALPH Glycoprotein D -8.91 -6.14 N/A N/A N/A
GD_HHV1 Glycoprotein D -7.59 N/A N/A N/A N/A
GP160_HIV1 Envelope glycoprotein gp160 -7.88 -7.63 -7.88 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -8.38 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -7.86 -8.26 -8.50 32.27% CHEMBL3125899
GP_LASSJ Pre-glycoprotein polyprotein GP complex -7.13 -6.83 N/A N/A N/A
HA_A-H10N7 Hemagglutinin -8.45 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -8.12 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -7.36 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -7.93 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -7.93 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -7.64 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -6.91 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -7.81 -7.90 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -7.78 -7.49 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -7.70 -8.15 -7.60 N/A N/A
HA_A-H3N8 Hemagglutinin -7.51 -6.98 -7.58 N/A N/A
HA_A-H5N1 Hemagglutinin -7.56 -7.63 -7.22 N/A N/A
HA_A-H5N3 Hemagglutinin -7.62 -7.01 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -8.12 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -7.82 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -7.33 -7.33 -7.45 N/A N/A
HA_A-H7N7 Hemagglutinin -7.10 -7.48 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -9.00 N/A N/A N/A N/A
HA_INFB Hemagglutinin -8.26 -7.70 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -7.72 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.96 -7.37 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -7.22 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -7.53 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -7.65 -7.33 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -7.78 -7.48 -7.23 N/A N/A
MD_MERs Replicase polyprotein 1a -7.89 -8.08 N/A N/A N/A
MEM_9FLAV Core protein -7.57 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -7.66 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -8.56 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 11.34 N/A N/A N/A N/A
MX_9MONO Matrix protein VP40 -9.67 N/A N/A N/A N/A
MX_LASSJ RING finger protein Z -7.27 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -8.28 -8.52 -8.21 N/A N/A
NA_A-H11N9 Neuraminidase -9.26 -8.72 -9.91 N/A N/A
NA_A-H12N5 Neuraminidase -9.29 -8.58 -8.50 N/A N/A
NA_A-H13N9 Neuraminidase -7.93 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -8.12 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -8.15 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -9.50 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -8.50 -8.58 -8.23 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -8.60 -8.60 N/A N/A N/A
NA_A-H3N8 Neuraminidase -8.98 -9.32 -9.42 22.57% CHEMBL4285767
NA_A-H5N1 Neuraminidase -8.65 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -9.59 -9.87 -9.59 N/A N/A
NA_INFB Neuraminidase -8.55 -8.04 N/A 23.18% CHEMBL4175983
NP_9ADNV Nucleoprotein -6.42 -8.40 N/A N/A N/A
NP_A-H1N1 Nucleoprotein -7.82 -7.35 -7.31 N/A N/A
NP_A-H5N1 Nucleoprotein -7.28 N/A N/A N/A N/A
NP_EBOZM Nucleoprotein -7.98 -7.84 -9.28 N/A N/A
NP_HCoV-NL63 Nucleoprotein -8.16 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -9.19 -8.96 -8.21 14.77% CHEMBL3233481
NP_INFB Nucleoprotein -6.68 N/A N/A N/A N/A
NP_INFD NP -6.45 N/A N/A N/A N/A
NP_LASSJ Nucleoprotein -11.10 -11.11 -5.61 N/A N/A
NP_SARS Nucleoprotein -8.55 N/A N/A N/A N/A
NS1_9CALI NTPase -7.53 -6.42 -7.64 N/A N/A
NS1_9FLAV Non-structural protein 1 -6.66 N/A N/A N/A N/A
NS1_DEN1W Genome polyprotein -6.58 N/A N/A N/A N/A
NS1_ZIKV Core protein 24.95 -5.42 -8.52 N/A N/A
NS2A_9FLAV Core protein -5.55 N/A N/A N/A N/A
NS2B_DEN1W Genome polyprotein -9.71 N/A N/A N/A N/A
NS2B_DEN2P Genome polyprotein -7.28 -8.67 N/A N/A N/A
NS2B_ZIKV Genome polyprotein -8.43 -11.29 N/A N/A N/A
NS2B_ZIKVF Genome polyprotein -8.74 N/A N/A N/A N/A
NS3_9FLAV Core protein -10.07 N/A N/A N/A N/A
NS3_DEN4T Genome polyprotein -10.42 -9.46 N/A N/A N/A
NS3_HCV1A Genome polyprotein -6.94 -7.45 -7.32 33.99% CHEMBL4110357
NS3_HCV1B Genome polyprotein -7.91 -7.65 -7.39 23.53% CHEMBL1170417
NS3_HCV3A Genome polyprotein -8.03 -7.73 -7.89 N/A N/A
NS3_ZIKV Genome polyprotein -9.77 N/A N/A N/A N/A
NS5B_HCV1A Genome polyprotein -10.49 -10.49 -10.46 36.02% CHEMBL353549
NS5B_HCV1B Genome polyprotein -9.18 -7.76 -7.88 31.73% CHEMBL3970609
NS5B_HCV2A Genome polyprotein -7.99 -5.82 N/A 22.07% CHEMBL3127326
NS5_9FLAV Core protein -9.32 N/A N/A N/A N/A
NS5_DEN3S Genome polyprotein -9.05 -9.29 N/A N/A N/A
NS5_ZIKV Genome polyprotein -9.67 -6.07 N/A N/A N/A
NS5_ZIKVF Genome polyprotein -9.18 N/A N/A N/A N/A
NS6_9CALI NTPase -6.69 -6.19 -8.17 N/A N/A
NSP15_SARS Replicase polyprotein 1ab -7.32 N/A N/A 17.84% CHEMBL2441741
NSP15_SARS2 Replicase polyprotein 1ab -7.97 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -7.59 -7.29 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -5.75 N/A N/A 17.84% CHEMBL2441741
NSP3_HCoV-229E Replicase polyprotein 1a -8.47 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -7.71 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -6.19 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -7.50 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -6.50 -7.35 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -9.24 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -9.84 -9.03 -10.10 N/A N/A
PA_A-H5N1 Polymerase acidic protein -10.51 -9.67 -9.68 N/A N/A
PA_INFA Polymerase acidic protein -9.90 -8.45 -8.72 27.02% CHEMBL4548583
PA_INFB Polymerase acidic protein -8.88 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -8.61 -8.50 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -7.67 -8.18 -9.14 N/A N/A
PB2_INFB Polymerase basic protein 2 -9.79 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -8.43 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -9.11 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -9.93 -10.09 -10.08 22.06% CHEMBL225515
PLP_SARS2 papain-like protease -7.52 N/A N/A N/A N/A
PM_9VIRU RNA-directed RNA polymerase L -8.65 -8.35 N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -8.39 N/A N/A 17.03% CHEMBL4214471
PR_HCoV-229E Replicase polyprotein 1a -8.45 -7.99 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -5.31 -8.82 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -9.00 -8.11 -8.19 25.32% CHEMBL3645127
PR_HIV2 Gag-Pol polyprotein -8.78 -8.60 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -7.10 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -7.14 -7.61 -7.95 N/A N/A
PR_IBV Replicase polyprotein 1a -8.45 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -7.94 -8.12 N/A N/A N/A
PR_PEDV 3C-like proteinase -8.83 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -7.92 -7.87 -7.80 17.84% CHEMBL2441741
PR_SARS2 3C-like protease -7.93 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -8.75 N/A N/A N/A N/A
P_9CALI Norovirus P domain protein -6.86 N/A N/A N/A N/A
P_NVN68 Capsid protein VP1 -7.24 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -7.81 N/A N/A 29.84% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -9.93 -10.35 -9.36 34.03% CHEMBL4227326
SPIKE_HCoV-229E Spike glycoprotein -6.73 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -6.85 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -8.17 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -8.59 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -6.85 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -7.79 -8.19 -7.01 N/A N/A
SPIKE_MHV Spike glycoprotein -8.36 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -7.54 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -7.38 -8.63 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -7.34 -7.55 -8.06 N/A N/A
VP1_9CALI Capsid protein -9.53 N/A N/A N/A N/A
VP1_NVN68 Capsid protein VP1 -7.22 N/A N/A N/A N/A
VP24_EBORE Membrane-associated protein VP24 -6.57 N/A N/A N/A N/A
VP24_EBOSU Membrane-associated protein VP24 -6.03 N/A N/A N/A N/A
VP24_EBOZM Membrane-associated protein VP24 -6.73 N/A N/A N/A N/A
VP30_9MONO Minor nucleoprotein VP30 -7.59 N/A N/A N/A N/A
VP30_EBOZ5 Transcriptional activator VP30 -7.54 N/A N/A N/A N/A
VP30_EBOZM Transcriptional activator VP30 -7.11 N/A N/A N/A N/A
VP35_EBORR Polymerase cofactor VP35 -8.01 N/A N/A N/A N/A
VP35_EBOZM Polymerase cofactor VP35 -7.75 -7.94 -8.32 N/A N/A
VP40_EBOZM Matrix protein VP40 -6.49 -6.54 N/A N/A N/A