Aseel2023-2 #540 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 -4.38 N/A N/A N/A N/A
2A_HE71M Genome polyprotein -4.57 N/A N/A N/A N/A
2C_HE71 Genome polyprotein -3.70 -4.04 N/A N/A N/A
3A_9ENTO Genome polyprotein -3.89 N/A N/A N/A N/A
3A_HE71M Genome polyprotein -3.52 N/A N/A N/A N/A
3A_HED68 Genome polyprotein -3.29 N/A N/A N/A N/A
3C_HE71 Genome polyprotein -3.30 -4.10 N/A N/A N/A
3C_HED68 Genome polyprotein -3.58 N/A N/A N/A N/A
3D_HE71 Genome polyprotein -4.30 N/A N/A N/A N/A
3D_HED68 Genome polyprotein -4.24 N/A N/A N/A N/A
ACE2_HUMAN angiotensin converting enzyme 2 -4.94 N/A N/A 12.20% CHEMBL1240682
CAPSD_9CALI Capsid protein -4.51 -5.15 -4.57 N/A N/A
CAPSD_9ENTO Genome polyprotein -4.98 N/A N/A N/A N/A
CAPSD_DEN2P Genome polyprotein -4.17 N/A N/A N/A N/A
CAPSD_HCV77 Genome polyprotein -2.84 N/A N/A 23.81% CHEMBL4109156
CAPSD_HED68 Capsid protein VP0 -4.62 -4.94 N/A N/A N/A
CAPSD_ZIKV Core protein -4.20 -3.78 N/A N/A N/A
DPM_HHV1K DNA polymerase catalytic subunit -4.78 N/A N/A 12.87% CHEMBL481172
E1_9HEPC Envelope glycoprotein E1 -3.65 N/A N/A N/A N/A
E1_HCV77 Genome polyprotein -3.18 N/A N/A 23.81% CHEMBL4109156
E1_HCVJ1 Genome polyprotein -3.23 N/A N/A N/A N/A
E2_9HEPC Core protein precursor -4.72 N/A N/A N/A N/A
E2_HCV77 Genome polyprotein -3.54 N/A N/A 23.81% CHEMBL4109156
ENV_9FLAV Envelope protein E -3.61 N/A N/A N/A N/A
ENV_DEN1B Genome polyprotein -3.39 N/A N/A N/A N/A
ENV_DEN2P Genome polyprotein -4.61 N/A N/A N/A N/A
ENV_DEN3P Genome polyprotein -3.64 N/A N/A N/A N/A
ENV_HHV2H Envelope glycoprotein H -4.50 N/A N/A N/A N/A
ENV_ZIKV Core protein -3.76 N/A N/A N/A N/A
ENV_ZIKVK Genome polyprotein -4.14 N/A N/A N/A N/A
G1_ADNV Envelope polyprotein -3.09 -4.11 -4.02 N/A N/A
G2_ADNV Envelope polyprotein -4.67 -4.86 -3.79 N/A N/A
GB_HHV11 Envelope glycoprotein B -3.77 N/A N/A N/A N/A
GB_HHV1K Envelope glycoprotein B -4.73 -4.41 N/A N/A N/A
GD_9ALPH Glycoprotein D -4.31 -4.35 N/A N/A N/A
GD_HHV1 Glycoprotein D -3.82 N/A N/A N/A N/A
GP160_HIV1 Envelope glycoprotein gp160 -5.23 -4.46 -5.38 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -4.70 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -4.15 -3.92 -4.25 16.81% CHEMBL4640931
GP_LASSJ Pre-glycoprotein polyprotein GP complex -4.13 -4.32 N/A N/A N/A
HA_A-H10N7 Hemagglutinin -3.86 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -3.58 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -4.03 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -4.85 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -3.87 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -3.91 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -3.24 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -4.13 -3.79 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -3.43 -4.23 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -4.03 -4.08 -3.92 N/A N/A
HA_A-H3N8 Hemagglutinin -3.42 -3.70 -3.82 N/A N/A
HA_A-H5N1 Hemagglutinin -4.40 -4.21 -4.89 N/A N/A
HA_A-H5N3 Hemagglutinin -4.39 -4.44 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -3.58 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -3.82 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -3.93 -3.57 -3.76 N/A N/A
HA_A-H7N7 Hemagglutinin -3.69 -3.93 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -4.03 N/A N/A N/A N/A
HA_INFB Hemagglutinin -4.04 -4.08 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -3.77 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -4.87 -4.15 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -3.47 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -3.77 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -3.26 -3.50 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -5.32 -4.97 -5.10 N/A N/A
MD_MERs Replicase polyprotein 1a -5.30 -4.94 N/A N/A N/A
MEM_9FLAV Core protein -3.43 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -3.75 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -4.54 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -5.19 N/A N/A N/A N/A
MX_9MONO Matrix protein VP40 -4.63 N/A N/A N/A N/A
MX_LASSJ RING finger protein Z -3.54 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -4.42 -4.57 -4.35 N/A N/A
NA_A-H11N9 Neuraminidase -5.12 -4.68 -4.49 N/A N/A
NA_A-H12N5 Neuraminidase -4.35 -4.52 -4.34 N/A N/A
NA_A-H13N9 Neuraminidase -4.69 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -4.26 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -3.82 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -4.80 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -4.73 -4.52 -4.54 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -4.01 -4.28 N/A N/A N/A
NA_A-H3N8 Neuraminidase -4.55 -4.96 -4.46 11.59% CHEMBL4287425
NA_A-H5N1 Neuraminidase -4.95 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -4.32 -4.32 -4.27 N/A N/A
NA_INFB Neuraminidase -4.35 -4.67 N/A 11.80% CHEMBL4161935
NP_9ADNV Nucleoprotein -3.20 -5.02 N/A N/A N/A
NP_A-H1N1 Nucleoprotein -3.97 -4.87 -5.07 N/A N/A
NP_A-H5N1 Nucleoprotein -4.68 N/A N/A N/A N/A
NP_EBOZM Nucleoprotein -3.74 -3.72 -3.75 N/A N/A
NP_HCoV-NL63 Nucleoprotein -3.83 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -5.06 -5.00 -4.45 23.75% CHEMBL3233481
NP_INFB Nucleoprotein -3.22 N/A N/A N/A N/A
NP_INFD NP -3.37 N/A N/A N/A N/A
NP_LASSJ Nucleoprotein -4.98 -5.22 -2.98 N/A N/A
NP_SARS Nucleoprotein -4.65 N/A N/A N/A N/A
NS1_9CALI NTPase -4.00 -3.77 -3.77 N/A N/A
NS1_9FLAV Non-structural protein 1 -4.39 N/A N/A N/A N/A
NS1_DEN1W Genome polyprotein -3.57 N/A N/A N/A N/A
NS1_ZIKV Core protein -4.89 -5.10 -4.39 N/A N/A
NS2A_9FLAV Core protein -3.42 N/A N/A N/A N/A
NS2B_DEN1W Genome polyprotein -4.09 N/A N/A N/A N/A
NS2B_DEN2P Genome polyprotein -4.53 -4.45 N/A N/A N/A
NS2B_ZIKV Genome polyprotein -4.42 -4.58 N/A N/A N/A
NS2B_ZIKVF Genome polyprotein -4.64 N/A N/A N/A N/A
NS3_9FLAV Core protein -4.56 N/A N/A N/A N/A
NS3_DEN4T Genome polyprotein -4.84 -4.40 N/A N/A N/A
NS3_HCV1A Genome polyprotein -4.41 -4.19 -4.34 23.81% CHEMBL4109156
NS3_HCV1B Genome polyprotein -4.49 -4.10 -3.82 11.36% CHEMBL1170408
NS3_HCV3A Genome polyprotein -4.26 -3.94 -4.24 N/A N/A
NS3_ZIKV Genome polyprotein -4.68 N/A N/A N/A N/A
NS5B_HCV1A Genome polyprotein -4.52 -4.74 -4.73 16.53% CHEMBL363650
NS5B_HCV1B Genome polyprotein -4.56 -5.09 -4.94 38.64% CHEMBL99408
NS5B_HCV2A Genome polyprotein -4.95 -4.94 N/A 12.95% CHEMBL3127326
NS5_9FLAV Core protein -4.42 N/A N/A N/A N/A
NS5_DEN3S Genome polyprotein -4.12 -4.65 N/A N/A N/A
NS5_ZIKV Genome polyprotein -4.87 -3.41 N/A N/A N/A
NS5_ZIKVF Genome polyprotein -4.59 N/A N/A N/A N/A
NS6_9CALI NTPase -3.16 -4.01 -3.78 N/A N/A
NSP15_SARS Replicase polyprotein 1ab -4.03 N/A N/A 19.23% CHEMBL3105073
NSP15_SARS2 Replicase polyprotein 1ab -4.34 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -3.40 -3.35 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -4.29 N/A N/A 19.23% CHEMBL3105073
NSP3_HCoV-229E Replicase polyprotein 1a -5.00 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -5.16 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -4.33 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -4.13 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -4.05 -4.02 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -4.04 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -4.51 -4.73 -4.09 N/A N/A
PA_A-H5N1 Polymerase acidic protein -4.64 -4.60 -4.55 N/A N/A
PA_INFA Polymerase acidic protein -5.36 -3.95 -4.27 26.25% CHEMBL4527067
PA_INFB Polymerase acidic protein -4.14 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -4.77 -4.54 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -3.97 -4.54 -4.55 N/A N/A
PB2_INFB Polymerase basic protein 2 -4.84 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -4.48 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -4.58 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -4.91 -5.50 -5.40 19.27% CHEMBL222735
PLP_SARS2 papain-like protease -3.90 N/A N/A N/A N/A
PM_9VIRU RNA-directed RNA polymerase L -4.63 -4.12 N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -4.05 N/A N/A 7.84% CHEMBL4214471
PR_HCoV-229E Replicase polyprotein 1a -4.35 -3.68 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -3.44 -4.18 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -3.80 -3.81 -3.84 7.32% CHEMBL492666
PR_HIV2 Gag-Pol polyprotein -4.49 -3.62 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -3.84 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -4.00 -4.33 -4.19 N/A N/A
PR_IBV Replicase polyprotein 1a -4.01 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -4.11 -4.15 N/A N/A N/A
PR_PEDV 3C-like proteinase -4.39 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -3.67 -3.94 -4.44 19.23% CHEMBL3105073
PR_SARS2 3C-like protease -4.00 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -4.07 N/A N/A N/A N/A
P_9CALI Norovirus P domain protein -4.80 N/A N/A N/A N/A
P_NVN68 Capsid protein VP1 -3.76 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -4.43 N/A N/A 8.12% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -5.23 -5.00 -5.05 17.69% CHEMBL4227326
SPIKE_HCoV-229E Spike glycoprotein -3.16 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -3.68 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -3.85 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -4.70 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -3.89 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -3.68 -3.43 -3.62 N/A N/A
SPIKE_MHV Spike glycoprotein -4.27 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -4.01 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -4.44 -4.52 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -3.96 -4.16 -4.21 N/A N/A
VP1_9CALI Capsid protein -4.88 N/A N/A N/A N/A
VP1_NVN68 Capsid protein VP1 -3.52 N/A N/A N/A N/A
VP24_EBORE Membrane-associated protein VP24 -3.89 N/A N/A N/A N/A
VP24_EBOSU Membrane-associated protein VP24 -3.11 N/A N/A N/A N/A
VP24_EBOZM Membrane-associated protein VP24 -3.24 N/A N/A N/A N/A
VP30_9MONO Minor nucleoprotein VP30 -3.79 N/A N/A N/A N/A
VP30_EBOZ5 Transcriptional activator VP30 -4.36 N/A N/A N/A N/A
VP30_EBOZM Transcriptional activator VP30 -4.20 N/A N/A N/A N/A
VP35_EBORR Polymerase cofactor VP35 -3.69 N/A N/A N/A N/A
VP35_EBOZM Polymerase cofactor VP35 -3.59 -3.85 -4.25 N/A N/A
VP40_EBOZM Matrix protein VP40 -3.79 -3.22 N/A N/A N/A