Sitagliptin #236 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 -9.97 N/A N/A 32.07% CHEMBL402987
GP160_HIV1 Envelope glycoprotein gp160 -8.41 -7.94 -6.82 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -7.58 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -7.94 -8.36 -8.16 28.12% CHEMBL3125895
HA_A-H10N7 Hemagglutinin -7.17 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -6.92 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -7.03 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -7.73 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -7.57 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -6.75 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -6.06 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -7.55 -7.13 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -7.14 -6.72 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -8.05 -8.02 -7.46 N/A N/A
HA_A-H3N8 Hemagglutinin -7.07 -7.35 -6.43 N/A N/A
HA_A-H5N1 Hemagglutinin -6.99 -7.64 -7.14 N/A N/A
HA_A-H5N3 Hemagglutinin -7.22 -7.21 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -6.92 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -6.80 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -7.51 -6.36 -6.96 N/A N/A
HA_A-H7N7 Hemagglutinin -7.07 -7.85 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -7.20 N/A N/A N/A N/A
HA_INFB Hemagglutinin -7.41 -6.88 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -7.27 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -7.54 -7.36 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -6.80 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -6.67 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -6.53 -6.57 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -10.44 -10.17 -9.49 N/A N/A
MD_MERs Replicase polyprotein 1a -10.03 -9.26 N/A N/A N/A
MTASE_SARS2 Methyltransferase -6.80 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -8.31 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -10.18 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -8.55 -8.23 -8.39 N/A N/A
NA_A-H11N9 Neuraminidase -8.22 -7.98 -7.88 N/A N/A
NA_A-H12N5 Neuraminidase -8.53 -8.28 -8.33 N/A N/A
NA_A-H13N9 Neuraminidase -7.43 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -7.66 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -8.31 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -8.59 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -7.94 -8.97 -7.75 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -8.11 -7.50 N/A N/A N/A
NA_A-H3N8 Neuraminidase -8.02 -8.53 -8.92 N/A N/A
NA_A-H5N1 Neuraminidase -8.48 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -8.30 -8.52 -8.24 N/A N/A
NA_INFB Neuraminidase -7.56 -8.11 N/A 32.67% CHEMBL113191
NP_A-H1N1 Nucleoprotein -7.10 -7.00 -7.32 N/A N/A
NP_A-H5N1 Nucleoprotein -7.21 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -7.29 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -9.45 -7.89 -7.46 12.70% CHEMBL3233481
NP_INFB Nucleoprotein -5.80 N/A N/A N/A N/A
NP_INFD NP -6.04 N/A N/A N/A N/A
NP_SARS Nucleoprotein -7.72 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -7.72 -6.91 -9.11 34.00% CHEMBL3914973
NS3_HCV1B Genome polyprotein -9.58 -8.98 -6.74 29.11% CHEMBL3954962
NS3_HCV3A Genome polyprotein -8.19 -7.88 -7.28 N/A N/A
NS5B_HCV1A Genome polyprotein -9.09 -9.22 -8.92 37.93% CHEMBL68034
NS5B_HCV1B Genome polyprotein -8.27 -9.31 -9.19 32.61% CHEMBL3645214
NS5B_HCV2A Genome polyprotein -10.17 -10.28 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -7.42 N/A N/A 29.67% CHEMBL2441745
NSP15_SARS2 Replicase polyprotein 1ab -7.76 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -6.57 -6.46 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -6.12 N/A N/A 29.67% CHEMBL2441745
NSP3_HCoV-229E Replicase polyprotein 1a -10.70 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -10.30 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -7.36 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -8.69 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -7.57 -7.19 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -7.99 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -8.94 -8.31 -8.98 N/A N/A
PA_A-H5N1 Polymerase acidic protein -8.74 -8.31 -8.67 N/A N/A
PA_INFA Polymerase acidic protein -9.48 -8.14 -9.48 31.05% CHEMBL278402
PA_INFB Polymerase acidic protein -8.15 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -8.08 -7.90 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -8.70 -7.70 -7.72 N/A N/A
PB2_INFB Polymerase basic protein 2 -8.39 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -8.39 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -8.41 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -9.48 -10.00 -9.20 24.77% CHEMBL213543
PLP_SARS2 papain-like protease -6.66 N/A N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -8.05 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -8.03 -7.68 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -4.92 -8.79 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -6.97 -7.30 -6.66 25.62% CHEMBL3645124
PR_HIV2 Gag-Pol polyprotein -7.28 -6.84 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -7.50 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -8.25 -7.64 -7.41 N/A N/A
PR_IBV Replicase polyprotein 1a -8.17 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -8.55 -8.17 N/A N/A N/A
PR_PEDV 3C-like proteinase -8.31 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -8.06 -8.26 -8.33 29.67% CHEMBL2441745
PR_SARS2 3C-like protease -8.20 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -7.87 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -7.23 N/A N/A 19.71% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -9.89 -10.59 -10.22 34.03% CHEMBL4225865
SPIKE_HCoV-229E Spike glycoprotein -5.24 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -6.46 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -6.81 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -6.99 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -6.73 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -7.49 -7.58 -6.03 N/A N/A
SPIKE_MHV Spike glycoprotein -7.85 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -7.33 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -7.14 -7.41 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -6.25 -6.24 -6.40 N/A N/A