PSP_case1_Yiyang #524 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 -7.20 N/A N/A N/A N/A
2A_HE71M Genome polyprotein -6.87 N/A N/A N/A N/A
2C_HE71 Genome polyprotein -5.55 -6.93 N/A N/A N/A
3A_9ENTO Genome polyprotein -5.05 N/A N/A N/A N/A
3A_HE71M Genome polyprotein -4.97 N/A N/A N/A N/A
3A_HED68 Genome polyprotein -5.74 N/A N/A N/A N/A
3C_HE71 Genome polyprotein -6.02 -6.00 N/A N/A N/A
3C_HED68 Genome polyprotein -5.75 N/A N/A N/A N/A
3D_HE71 Genome polyprotein -7.11 N/A N/A N/A N/A
3D_HED68 Genome polyprotein -8.15 N/A N/A N/A N/A
ACE2_HUMAN angiotensin converting enzyme 2 -8.47 N/A N/A 27.93% CHEMBL436639
CAPSD_9CALI Capsid protein -6.96 -7.27 -7.70 N/A N/A
CAPSD_9ENTO Genome polyprotein -8.56 N/A N/A N/A N/A
CAPSD_DEN2P Genome polyprotein -5.77 N/A N/A N/A N/A
CAPSD_HCV77 Genome polyprotein -4.39 N/A N/A 33.85% CHEMBL3696819
CAPSD_HED68 Capsid protein VP0 -7.46 -8.47 N/A N/A N/A
CAPSD_ZIKV Core protein -5.08 -4.88 N/A N/A N/A
DPM_HHV1K DNA polymerase catalytic subunit -6.97 N/A N/A 22.85% CHEMBL479371
E1_9HEPC Envelope glycoprotein E1 -5.33 N/A N/A N/A N/A
E1_HCV77 Genome polyprotein -3.39 N/A N/A 33.85% CHEMBL3696819
E1_HCVJ1 Genome polyprotein -4.78 N/A N/A N/A N/A
E2_9HEPC Core protein precursor -6.62 N/A N/A N/A N/A
E2_HCV77 Genome polyprotein -5.82 N/A N/A 33.85% CHEMBL3696819
ENV_9FLAV Envelope protein E -5.22 N/A N/A N/A N/A
ENV_DEN1B Genome polyprotein -5.74 N/A N/A N/A N/A
ENV_DEN2P Genome polyprotein -7.10 N/A N/A N/A N/A
ENV_DEN3P Genome polyprotein -6.10 N/A N/A N/A N/A
ENV_HHV2H Envelope glycoprotein H -5.88 N/A N/A N/A N/A
ENV_ZIKV Core protein -6.38 N/A N/A N/A N/A
ENV_ZIKVK Genome polyprotein -6.09 N/A N/A N/A N/A
G1_ADNV Envelope polyprotein -3.83 -6.34 -5.97 N/A N/A
G2_ADNV Envelope polyprotein -8.09 -8.04 -6.87 N/A N/A
GB_HHV11 Envelope glycoprotein B -6.97 N/A N/A N/A N/A
GB_HHV1K Envelope glycoprotein B -7.59 -7.97 N/A N/A N/A
GD_9ALPH Glycoprotein D -6.75 -6.04 N/A N/A N/A
GD_HHV1 Glycoprotein D -6.69 N/A N/A N/A N/A
GP160_HIV1 Envelope glycoprotein gp160 -6.52 -6.32 -6.23 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -6.15 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -6.30 -6.04 -5.84 26.09% CHEMBL3125895
GP_LASSJ Pre-glycoprotein polyprotein GP complex -6.43 -6.39 N/A N/A N/A
HA_A-H10N7 Hemagglutinin -6.52 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -6.01 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -6.04 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -6.56 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -6.59 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -6.32 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -6.00 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -5.82 -5.95 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -5.88 -5.92 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -6.66 -6.32 -5.84 N/A N/A
HA_A-H3N8 Hemagglutinin -5.98 -6.88 -6.59 N/A N/A
HA_A-H5N1 Hemagglutinin -6.08 -6.22 -6.28 N/A N/A
HA_A-H5N3 Hemagglutinin -6.21 -5.95 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -6.01 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -5.70 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -6.06 -6.19 -5.93 N/A N/A
HA_A-H7N7 Hemagglutinin -6.47 -6.37 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -5.92 N/A N/A N/A N/A
HA_INFB Hemagglutinin -6.47 -5.85 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -5.65 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.33 -5.75 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -6.42 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -5.62 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -5.10 -4.67 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -8.16 -8.21 -7.91 N/A N/A
MD_MERs Replicase polyprotein 1a -8.32 -8.07 N/A N/A N/A
MEM_9FLAV Core protein -5.45 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -6.27 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -7.43 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -8.01 N/A N/A N/A N/A
MX_9MONO Matrix protein VP40 -7.93 N/A N/A N/A N/A
MX_LASSJ RING finger protein Z -5.90 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -8.60 -8.14 -7.71 N/A N/A
NA_A-H11N9 Neuraminidase -6.27 -8.08 -8.12 N/A N/A
NA_A-H12N5 Neuraminidase -8.37 -8.89 -8.36 N/A N/A
NA_A-H13N9 Neuraminidase -6.45 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -6.80 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -6.33 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -7.78 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -8.25 -8.14 -7.73 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -6.93 -6.18 N/A N/A N/A
NA_A-H3N8 Neuraminidase -8.15 -8.46 -8.22 17.22% CHEMBL4285767
NA_A-H5N1 Neuraminidase -8.29 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -7.52 -7.94 -8.06 N/A N/A
NA_INFB Neuraminidase -8.34 -7.58 N/A 22.34% CHEMBL362993
NP_9ADNV Nucleoprotein -4.41 -6.67 N/A N/A N/A
NP_A-H1N1 Nucleoprotein -5.36 -6.21 -6.04 N/A N/A
NP_A-H5N1 Nucleoprotein -5.89 N/A N/A N/A N/A
NP_EBOZM Nucleoprotein -5.61 -6.03 -5.97 N/A N/A
NP_HCoV-NL63 Nucleoprotein -6.72 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -6.66 -6.33 -6.14 11.60% CHEMBL3233481
NP_INFB Nucleoprotein -4.94 N/A N/A N/A N/A
NP_INFD NP -4.56 N/A N/A N/A N/A
NP_LASSJ Nucleoprotein -9.67 -8.96 -5.28 N/A N/A
NP_SARS Nucleoprotein -6.70 N/A N/A N/A N/A
NS1_9CALI NTPase -4.65 -5.74 -5.41 N/A N/A
NS1_9FLAV Non-structural protein 1 -5.60 N/A N/A N/A N/A
NS1_DEN1W Genome polyprotein -5.06 N/A N/A N/A N/A
NS1_ZIKV Core protein -4.57 -7.48 -6.22 N/A N/A
NS2A_9FLAV Core protein -3.66 N/A N/A N/A N/A
NS2B_DEN1W Genome polyprotein -7.35 N/A N/A N/A N/A
NS2B_DEN2P Genome polyprotein -6.32 -7.34 N/A N/A N/A
NS2B_ZIKV Genome polyprotein -7.13 -7.20 N/A N/A N/A
NS2B_ZIKVF Genome polyprotein -6.39 N/A N/A N/A N/A
NS3_9FLAV Core protein -8.24 N/A N/A N/A N/A
NS3_DEN4T Genome polyprotein -8.54 -7.77 N/A N/A N/A
NS3_HCV1A Genome polyprotein -6.32 -5.81 -6.35 33.85% CHEMBL3696819
NS3_HCV1B Genome polyprotein -7.99 -6.41 -5.51 24.74% CHEMBL297884
NS3_HCV3A Genome polyprotein -6.21 -6.94 -6.35 N/A N/A
NS3_ZIKV Genome polyprotein -8.25 N/A N/A N/A N/A
NS5B_HCV1A Genome polyprotein -6.89 -7.61 -7.67 27.56% CHEMBL353549
NS5B_HCV1B Genome polyprotein -6.92 -7.18 -6.50 92.24% CHEMBL4111989
NS5B_HCV2A Genome polyprotein -8.42 -7.76 N/A 21.66% CHEMBL3127326
NS5_9FLAV Core protein -7.88 N/A N/A N/A N/A
NS5_DEN3S Genome polyprotein -6.93 -6.90 N/A N/A N/A
NS5_ZIKV Genome polyprotein -8.47 -5.42 N/A N/A N/A
NS5_ZIKVF Genome polyprotein -8.38 N/A N/A N/A N/A
NS6_9CALI NTPase -5.08 -4.97 -5.77 N/A N/A
NSP15_SARS Replicase polyprotein 1ab -6.11 N/A N/A 20.15% CHEMBL2441741
NSP15_SARS2 Replicase polyprotein 1ab -6.43 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -5.41 -5.52 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -6.02 N/A N/A 20.15% CHEMBL2441741
NSP3_HCoV-229E Replicase polyprotein 1a -7.98 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -8.82 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -5.46 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -7.12 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -5.06 -6.23 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -7.51 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -6.87 -7.99 -7.55 N/A N/A
PA_A-H5N1 Polymerase acidic protein -7.90 -7.94 -7.88 N/A N/A
PA_INFA Polymerase acidic protein -6.59 -6.90 -8.01 28.00% CHEMBL4473580
PA_INFB Polymerase acidic protein -7.14 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -7.27 -7.02 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -7.27 -6.54 -6.69 N/A N/A
PB2_INFB Polymerase basic protein 2 -6.93 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -6.81 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -7.69 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -7.44 -8.44 -8.10 22.10% CHEMBL225515
PLP_SARS2 papain-like protease -6.81 N/A N/A N/A N/A
PM_9VIRU RNA-directed RNA polymerase L -7.58 -7.01 N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -7.30 N/A N/A 19.38% CHEMBL4214471
PR_HCoV-229E Replicase polyprotein 1a -6.88 -6.47 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -4.80 -6.84 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -6.30 -6.47 -5.91 24.48% CHEMBL510485
PR_HIV2 Gag-Pol polyprotein -6.69 -6.17 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -6.73 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -6.55 -6.43 -6.10 N/A N/A
PR_IBV Replicase polyprotein 1a -6.84 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -6.42 -7.14 N/A N/A N/A
PR_PEDV 3C-like proteinase -7.00 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -6.27 -6.99 -7.41 20.15% CHEMBL2441741
PR_SARS2 3C-like protease -7.38 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -6.99 N/A N/A N/A N/A
P_9CALI Norovirus P domain protein -6.68 N/A N/A N/A N/A
P_NVN68 Capsid protein VP1 -5.09 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -7.46 N/A N/A 72.63% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -8.12 -7.94 -7.31 29.53% CHEMBL4110544
SPIKE_HCoV-229E Spike glycoprotein -5.02 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -4.77 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -6.41 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -6.78 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -5.38 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -6.60 -6.43 -4.97 N/A N/A
SPIKE_MHV Spike glycoprotein -6.76 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -6.56 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -6.62 -6.27 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -5.44 -5.63 -5.31 N/A N/A
VP1_9CALI Capsid protein -7.89 N/A N/A N/A N/A
VP1_NVN68 Capsid protein VP1 -5.43 N/A N/A N/A N/A
VP24_EBORE Membrane-associated protein VP24 -4.82 N/A N/A N/A N/A
VP24_EBOSU Membrane-associated protein VP24 -5.82 N/A N/A N/A N/A
VP24_EBOZM Membrane-associated protein VP24 -5.06 N/A N/A N/A N/A
VP30_9MONO Minor nucleoprotein VP30 -5.67 N/A N/A N/A N/A
VP30_EBOZ5 Transcriptional activator VP30 -5.68 N/A N/A N/A N/A
VP30_EBOZM Transcriptional activator VP30 -6.24 N/A N/A N/A N/A
VP35_EBORR Polymerase cofactor VP35 -5.77 N/A N/A N/A N/A
VP35_EBOZM Polymerase cofactor VP35 -5.86 -5.52 -5.87 N/A N/A
VP40_EBOZM Matrix protein VP40 -5.23 -4.79 N/A N/A N/A