Darko - curcumin #281 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
ACE2_HUMAN angiotensin converting enzyme 2 -9.39 N/A N/A 25.56% CHEMBL252003
GP160_HIV1 Envelope glycoprotein gp160 -6.79 -7.30 -6.94 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -6.63 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -6.59 -7.35 -7.02 16.67% CHEMBL112570
HA_A-H10N7 Hemagglutinin -6.92 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -6.33 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -6.80 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -5.64 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -6.83 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -5.84 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -5.57 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -6.62 -6.84 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -6.53 -6.67 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -6.34 -6.54 -6.08 N/A N/A
HA_A-H3N8 Hemagglutinin -6.17 -5.64 -5.72 N/A N/A
HA_A-H5N1 Hemagglutinin -6.61 -6.50 -5.94 N/A N/A
HA_A-H5N3 Hemagglutinin -6.47 -6.48 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -6.33 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -5.66 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -6.16 -6.15 -6.01 N/A N/A
HA_A-H7N7 Hemagglutinin -5.85 -7.09 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -6.80 N/A N/A N/A N/A
HA_INFB Hemagglutinin -6.29 -6.82 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -5.44 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.20 -5.96 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -5.95 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -5.53 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -6.03 -6.18 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -9.30 -8.87 -8.91 N/A N/A
MD_MERs Replicase polyprotein 1a -9.64 -8.60 N/A N/A N/A
MTASE_SARS2 Methyltransferase -6.47 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -7.54 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -8.54 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -7.33 -6.91 -6.95 N/A N/A
NA_A-H11N9 Neuraminidase -6.54 -7.37 -6.97 N/A N/A
NA_A-H12N5 Neuraminidase -7.40 -7.91 -7.91 N/A N/A
NA_A-H13N9 Neuraminidase -6.17 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -7.13 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -6.80 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -7.62 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -7.59 -7.03 -7.19 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -6.83 -6.74 N/A N/A N/A
NA_A-H3N8 Neuraminidase -6.82 -7.66 -8.06 N/A N/A
NA_A-H5N1 Neuraminidase -7.64 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -6.60 -7.61 -7.86 N/A N/A
NA_INFB Neuraminidase -6.84 -7.13 N/A 23.42% CHEMBL79499
NP_A-H1N1 Nucleoprotein -5.89 -6.99 -6.50 N/A N/A
NP_A-H5N1 Nucleoprotein -6.05 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -6.62 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -7.94 -7.59 -7.42 7.38% CHEMBL3233481
NP_INFB Nucleoprotein -5.13 N/A N/A N/A N/A
NP_INFD NP -6.19 N/A N/A N/A N/A
NP_SARS Nucleoprotein -7.11 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -8.00 -5.52 -7.87 24.29% CHEMBL4110238
NS3_HCV1B Genome polyprotein -7.89 -7.56 -5.82 20.96% CHEMBL1170408
NS3_HCV3A Genome polyprotein -6.21 -6.45 -6.78 N/A N/A
NS5B_HCV1A Genome polyprotein -7.73 -8.15 -7.94 24.06% CHEMBL446360
NS5B_HCV1B Genome polyprotein -7.54 -7.25 -6.72 16.46% CHEMBL3645198
NS5B_HCV2A Genome polyprotein -8.24 -9.44 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -5.99 N/A N/A 22.89% CHEMBL471187
NSP15_SARS2 Replicase polyprotein 1ab -7.23 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -6.16 -5.87 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -5.72 N/A N/A 22.89% CHEMBL471187
NSP3_HCoV-229E Replicase polyprotein 1a -9.01 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -9.40 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -7.46 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -7.43 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -6.39 -5.53 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -7.13 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -8.04 -7.42 -7.69 N/A N/A
PA_A-H5N1 Polymerase acidic protein -7.79 -7.33 -7.83 N/A N/A
PA_INFA Polymerase acidic protein -8.30 -6.75 -7.69 34.31% CHEMBL573638
PA_INFB Polymerase acidic protein -7.29 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -7.93 -7.90 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -7.73 -7.66 -7.93 N/A N/A
PB2_INFB Polymerase basic protein 2 -7.78 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -7.65 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -7.75 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -8.42 -9.22 -8.99 25.58% CHEMBL222735
PLP_SARS2 papain-like protease -6.70 N/A N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -7.91 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -7.72 -7.37 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -5.52 -7.18 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -6.17 -6.67 -6.76 15.76% CHEMBL510485
PR_HIV2 Gag-Pol polyprotein -6.38 -6.72 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -7.06 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -6.92 -7.45 -7.44 N/A N/A
PR_IBV Replicase polyprotein 1a -7.29 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -6.94 -7.62 N/A N/A N/A
PR_PEDV 3C-like proteinase -7.60 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -6.91 -6.48 -6.64 22.89% CHEMBL471187
PR_SARS2 3C-like protease -7.43 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -7.88 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -6.09 N/A N/A 11.30% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -9.19 -9.27 -8.91 37.74% CHEMBL3775172
SPIKE_HCoV-229E Spike glycoprotein -5.34 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -6.01 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -6.77 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -6.12 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -6.32 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -6.27 -6.10 -5.43 N/A N/A
SPIKE_MHV Spike glycoprotein -6.45 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -5.98 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -5.76 -6.70 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -5.40 -5.39 -7.36 N/A N/A