Remdesivir-Sep28 #562 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 -7.26 N/A N/A N/A N/A
2A_HE71M Genome polyprotein -7.13 N/A N/A N/A N/A
2C_HE71 Genome polyprotein -5.95 -6.49 N/A N/A N/A
3A_9ENTO Genome polyprotein -6.09 N/A N/A N/A N/A
3A_HE71M Genome polyprotein -6.14 N/A N/A N/A N/A
3A_HED68 Genome polyprotein -6.24 N/A N/A N/A N/A
3C_HE71 Genome polyprotein -6.90 -7.18 N/A N/A N/A
3C_HED68 Genome polyprotein -6.47 N/A N/A N/A N/A
3D_HE71 Genome polyprotein -7.15 N/A N/A N/A N/A
3D_HED68 Genome polyprotein -8.34 N/A N/A N/A N/A
ACE2_HUMAN angiotensin converting enzyme 2 -10.02 N/A N/A 27.45% CHEMBL436639
CAPSD_9CALI Capsid protein -8.26 -7.28 -8.37 N/A N/A
CAPSD_9ENTO Genome polyprotein -6.99 N/A N/A N/A N/A
CAPSD_DEN2P Genome polyprotein -6.26 N/A N/A N/A N/A
CAPSD_HCV77 Genome polyprotein -4.99 N/A N/A 50.17% CHEMBL3696815
CAPSD_HED68 Capsid protein VP0 -8.63 -10.15 N/A N/A N/A
CAPSD_ZIKV Core protein -6.52 -5.77 N/A N/A N/A
DPM_HHV1K DNA polymerase catalytic subunit -8.01 N/A N/A 22.85% CHEMBL479371
E1_9HEPC Envelope glycoprotein E1 -5.46 N/A N/A N/A N/A
E1_HCV77 Genome polyprotein -4.23 N/A N/A 50.17% CHEMBL3696815
E1_HCVJ1 Genome polyprotein -4.51 N/A N/A N/A N/A
E2_9HEPC Core protein precursor -8.06 N/A N/A N/A N/A
E2_HCV77 Genome polyprotein -5.74 N/A N/A 50.17% CHEMBL3696815
ENV_9FLAV Envelope protein E -4.85 N/A N/A N/A N/A
ENV_DEN1B Genome polyprotein -5.08 N/A N/A N/A N/A
ENV_DEN2P Genome polyprotein -6.40 N/A N/A N/A N/A
ENV_DEN3P Genome polyprotein -5.67 N/A N/A N/A N/A
ENV_HHV2H Envelope glycoprotein H -7.04 N/A N/A N/A N/A
ENV_ZIKV Core protein -6.78 N/A N/A N/A N/A
ENV_ZIKVK Genome polyprotein -6.82 N/A N/A N/A N/A
G1_ADNV Envelope polyprotein -3.98 -6.17 -6.07 N/A N/A
G2_ADNV Envelope polyprotein -7.83 -7.59 -5.96 N/A N/A
GB_HHV11 Envelope glycoprotein B -7.01 N/A N/A N/A N/A
GB_HHV1K Envelope glycoprotein B -6.91 -6.93 N/A N/A N/A
GD_9ALPH Glycoprotein D -6.99 -6.43 N/A N/A N/A
GD_HHV1 Glycoprotein D -6.60 N/A N/A N/A N/A
GP160_HIV1 Envelope glycoprotein gp160 -7.99 -7.22 -7.75 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -6.38 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -7.67 -6.99 -7.59 26.79% CHEMBL3125895
GP_LASSJ Pre-glycoprotein polyprotein GP complex -6.38 -6.03 N/A N/A N/A
HA_A-H10N7 Hemagglutinin -6.90 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -6.88 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -6.56 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -5.77 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -6.63 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -6.54 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -5.75 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -6.35 -6.53 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -6.26 -5.57 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -6.45 -6.44 -6.44 N/A N/A
HA_A-H3N8 Hemagglutinin -5.89 -6.13 -6.42 N/A N/A
HA_A-H5N1 Hemagglutinin -6.58 -6.27 -7.41 N/A N/A
HA_A-H5N3 Hemagglutinin -6.27 -7.22 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -6.88 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -6.40 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -6.23 -5.84 -6.41 N/A N/A
HA_A-H7N7 Hemagglutinin -6.41 -7.07 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -6.60 N/A N/A N/A N/A
HA_INFB Hemagglutinin -6.59 -6.13 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.43 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.43 -6.95 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -6.46 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -6.26 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -5.31 -5.43 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -7.61 -7.93 -8.30 N/A N/A
MD_MERs Replicase polyprotein 1a -9.01 -8.59 N/A N/A N/A
MEM_9FLAV Core protein -5.54 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -6.72 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -7.28 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -2.22 N/A N/A N/A N/A
MX_9MONO Matrix protein VP40 -9.03 N/A N/A N/A N/A
MX_LASSJ RING finger protein Z -5.51 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -7.80 -8.80 -8.05 N/A N/A
NA_A-H11N9 Neuraminidase -6.30 -7.56 -8.99 N/A N/A
NA_A-H12N5 Neuraminidase -8.29 -8.18 -7.53 N/A N/A
NA_A-H13N9 Neuraminidase -6.12 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -7.41 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -7.00 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -8.98 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -7.56 -8.14 -7.25 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -7.79 -7.78 N/A N/A N/A
NA_A-H3N8 Neuraminidase -7.99 -7.73 -8.58 19.35% CHEMBL4278505
NA_A-H5N1 Neuraminidase -8.59 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -8.90 -7.99 -8.66 N/A N/A
NA_INFB Neuraminidase -8.03 -8.14 N/A 21.22% CHEMBL362993
NP_9ADNV Nucleoprotein -5.41 -7.55 N/A N/A N/A
NP_A-H1N1 Nucleoprotein -5.67 -6.69 -6.76 N/A N/A
NP_A-H5N1 Nucleoprotein -5.95 N/A N/A N/A N/A
NP_EBOZM Nucleoprotein -6.79 -7.21 -6.15 N/A N/A
NP_HCoV-NL63 Nucleoprotein -6.78 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -7.65 -7.15 -7.01 11.03% CHEMBL3233481
NP_INFB Nucleoprotein -5.79 N/A N/A N/A N/A
NP_INFD NP -5.52 N/A N/A N/A N/A
NP_LASSJ Nucleoprotein -9.60 -9.98 -5.28 N/A N/A
NP_SARS Nucleoprotein -7.18 N/A N/A N/A N/A
NS1_9CALI NTPase -5.89 -5.32 -6.57 N/A N/A
NS1_9FLAV Non-structural protein 1 -5.47 N/A N/A N/A N/A
NS1_DEN1W Genome polyprotein -5.18 N/A N/A N/A N/A
NS1_ZIKV Core protein 3.69 -6.78 -7.61 N/A N/A
NS2A_9FLAV Core protein -4.31 N/A N/A N/A N/A
NS2B_DEN1W Genome polyprotein -6.84 N/A N/A N/A N/A
NS2B_DEN2P Genome polyprotein -7.07 -7.33 N/A N/A N/A
NS2B_ZIKV Genome polyprotein -7.50 -7.54 N/A N/A N/A
NS2B_ZIKVF Genome polyprotein -7.26 N/A N/A N/A N/A
NS3_9FLAV Core protein -8.76 N/A N/A N/A N/A
NS3_DEN4T Genome polyprotein -8.44 -8.49 N/A N/A N/A
NS3_HCV1A Genome polyprotein -6.20 -6.39 -6.70 50.17% CHEMBL3696815
NS3_HCV1B Genome polyprotein -6.96 -6.70 -5.16 23.98% CHEMBL297884
NS3_HCV3A Genome polyprotein -6.71 -7.06 -7.04 N/A N/A
NS3_ZIKV Genome polyprotein -8.67 N/A N/A N/A N/A
NS5B_HCV1A Genome polyprotein -8.15 -9.00 -8.88 26.36% CHEMBL353549
NS5B_HCV1B Genome polyprotein -8.18 -8.08 -7.92 67.51% CHEMBL4111989
NS5B_HCV2A Genome polyprotein -9.42 -9.48 N/A 20.97% CHEMBL4203791
NS5_9FLAV Core protein -7.96 N/A N/A N/A N/A
NS5_DEN3S Genome polyprotein -8.05 -8.40 N/A N/A N/A
NS5_ZIKV Genome polyprotein -8.03 -5.39 N/A N/A N/A
NS5_ZIKVF Genome polyprotein -8.30 N/A N/A N/A N/A
NS6_9CALI NTPase -4.35 -4.94 -6.04 N/A N/A
NSP15_SARS Replicase polyprotein 1ab -6.53 N/A N/A 18.75% CHEMBL2441745
NSP15_SARS2 Replicase polyprotein 1ab -6.60 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -6.14 -6.12 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -5.92 N/A N/A 18.75% CHEMBL2441745
NSP3_HCoV-229E Replicase polyprotein 1a -8.86 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -8.23 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -6.48 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -7.24 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -6.24 -6.56 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -7.47 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -7.90 -7.75 -8.05 N/A N/A
PA_A-H5N1 Polymerase acidic protein -8.03 -7.20 -7.92 N/A N/A
PA_INFA Polymerase acidic protein -8.17 -7.48 -7.71 25.75% CHEMBL4473580
PA_INFB Polymerase acidic protein -7.73 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -7.04 -7.21 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -7.40 -6.70 -7.95 N/A N/A
PB2_INFB Polymerase basic protein 2 -6.66 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -7.24 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -7.54 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -8.02 -8.49 -8.24 21.38% CHEMBL225515
PLP_SARS2 papain-like protease -6.54 N/A N/A N/A N/A
PM_9VIRU RNA-directed RNA polymerase L -7.56 -8.09 N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -6.91 N/A N/A 18.65% CHEMBL4214471
PR_HCoV-229E Replicase polyprotein 1a -7.09 -6.63 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -4.90 -7.48 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -5.76 -6.20 -6.32 22.62% CHEMBL3645127
PR_HIV2 Gag-Pol polyprotein -7.03 -6.29 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -7.37 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -6.80 -6.94 -6.94 N/A N/A
PR_IBV Replicase polyprotein 1a -7.11 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -6.79 -7.73 N/A N/A N/A
PR_PEDV 3C-like proteinase -7.58 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -7.19 -6.82 -6.53 18.75% CHEMBL2441745
PR_SARS2 3C-like protease -7.44 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -6.76 N/A N/A N/A N/A
P_9CALI Norovirus P domain protein -7.46 N/A N/A N/A N/A
P_NVN68 Capsid protein VP1 -5.82 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -6.90 N/A N/A 100.00% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -9.22 -9.03 -9.03 28.68% CHEMBL4108778
SPIKE_HCoV-229E Spike glycoprotein -4.70 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -5.39 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -6.80 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -6.62 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -6.21 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -6.66 -6.16 -5.78 N/A N/A
SPIKE_MHV Spike glycoprotein -6.60 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -6.74 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -6.20 -6.48 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -6.28 -6.03 -5.84 N/A N/A
VP1_9CALI Capsid protein -7.70 N/A N/A N/A N/A
VP1_NVN68 Capsid protein VP1 -6.06 N/A N/A N/A N/A
VP24_EBORE Membrane-associated protein VP24 -5.40 N/A N/A N/A N/A
VP24_EBOSU Membrane-associated protein VP24 -5.55 N/A N/A N/A N/A
VP24_EBOZM Membrane-associated protein VP24 -5.88 N/A N/A N/A N/A
VP30_9MONO Minor nucleoprotein VP30 -5.81 N/A N/A N/A N/A
VP30_EBOZ5 Transcriptional activator VP30 -6.35 N/A N/A N/A N/A
VP30_EBOZM Transcriptional activator VP30 -7.14 N/A N/A N/A N/A
VP35_EBORR Polymerase cofactor VP35 -6.55 N/A N/A N/A N/A
VP35_EBOZM Polymerase cofactor VP35 -6.00 -6.65 -6.90 N/A N/A
VP40_EBOZM Matrix protein VP40 -5.83 -5.93 N/A N/A N/A