Hydroxychloroquine #266 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 -7.09 N/A N/A 91.78% CHEMBL76
GP160_HIV1 Envelope glycoprotein gp160 -7.17 -7.06 -5.22 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -5.68 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -6.19 -6.39 -6.65 23.11% CHEMBL3125895
HA_A-H10N7 Hemagglutinin -6.01 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -5.21 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -5.27 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -5.74 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -5.65 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -4.68 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -4.91 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -5.89 -5.53 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -5.12 -5.20 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -5.85 -5.53 -5.38 N/A N/A
HA_A-H3N8 Hemagglutinin -5.15 -5.19 -5.54 N/A N/A
HA_A-H5N1 Hemagglutinin -6.10 -5.39 -5.53 N/A N/A
HA_A-H5N3 Hemagglutinin -5.20 -5.37 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -5.21 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -4.98 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -5.38 -5.17 -5.16 N/A N/A
HA_A-H7N7 Hemagglutinin -4.65 -5.92 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -5.56 N/A N/A N/A N/A
HA_INFB Hemagglutinin -5.44 -5.52 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -5.06 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -5.75 -5.44 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -4.68 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -4.98 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -4.87 -4.85 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -7.42 -7.18 -7.25 N/A N/A
MD_MERs Replicase polyprotein 1a -7.71 -7.02 N/A N/A N/A
MTASE_SARS2 Methyltransferase -5.10 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -6.16 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -7.80 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -6.42 -6.12 -6.02 N/A N/A
NA_A-H11N9 Neuraminidase -6.38 -6.61 -6.55 N/A N/A
NA_A-H12N5 Neuraminidase -5.86 -6.50 -5.98 N/A N/A
NA_A-H13N9 Neuraminidase -5.16 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -5.94 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -5.68 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -6.37 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -6.38 -5.86 -5.91 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -5.22 -5.60 N/A N/A N/A
NA_A-H3N8 Neuraminidase -6.02 -6.42 -6.31 N/A N/A
NA_A-H5N1 Neuraminidase -6.37 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -6.06 -6.18 -5.96 N/A N/A
NA_INFB Neuraminidase -5.70 -5.99 N/A 27.59% CHEMBL4175983
NP_A-H1N1 Nucleoprotein -5.49 -6.29 -5.76 N/A N/A
NP_A-H5N1 Nucleoprotein -5.85 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -5.72 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -7.35 -6.06 -6.10 35.64% CHEMBL3233481
NP_INFB Nucleoprotein -4.70 N/A N/A N/A N/A
NP_INFD NP -4.56 N/A N/A N/A N/A
NP_SARS Nucleoprotein -6.31 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -5.38 -5.26 -6.55 30.19% CHEMBL4115214
NS3_HCV1B Genome polyprotein -6.78 -6.73 -4.85 20.42% CHEMBL3954962
NS3_HCV3A Genome polyprotein -5.71 -5.45 -5.36 N/A N/A
NS5B_HCV1A Genome polyprotein -6.85 -6.83 -6.87 34.59% CHEMBL363650
NS5B_HCV1B Genome polyprotein -6.48 -6.40 -6.39 32.00% CHEMBL99408
NS5B_HCV2A Genome polyprotein -7.13 -7.37 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -5.76 N/A N/A 21.57% CHEMBL2441741
NSP15_SARS2 Replicase polyprotein 1ab -5.84 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -5.15 -4.88 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -5.00 N/A N/A 21.57% CHEMBL2441741
NSP3_HCoV-229E Replicase polyprotein 1a -7.68 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -6.97 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -6.03 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -6.52 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -5.67 -4.93 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -6.19 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -6.88 -6.18 -6.31 N/A N/A
PA_A-H5N1 Polymerase acidic protein -6.51 -6.11 -6.43 N/A N/A
PA_INFA Polymerase acidic protein -7.49 -6.00 -6.00 28.12% CHEMBL463590
PA_INFB Polymerase acidic protein -5.72 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -6.33 -6.84 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -6.35 -6.87 -6.33 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 -6.79 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -6.84 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -6.98 -6.82 -6.57 26.39% CHEMBL358279
PLP_SARS2 papain-like protease -5.50 N/A N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -5.93 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -5.98 -5.72 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -3.76 -5.61 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -5.40 -5.85 -5.74 18.82% CHEMBL523528
PR_HIV2 Gag-Pol polyprotein -6.02 -5.15 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -5.46 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -5.69 -5.89 -5.86 N/A N/A
PR_IBV Replicase polyprotein 1a -6.18 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -6.38 -5.96 N/A N/A N/A
PR_PEDV 3C-like proteinase -6.04 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -6.05 -5.85 -6.03 21.57% CHEMBL2441741
PR_SARS2 3C-like protease -6.05 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -6.07 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -5.55 N/A N/A 15.33% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -8.10 -7.77 -7.65 28.47% CHEMBL4227382
SPIKE_HCoV-229E Spike glycoprotein -4.29 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -4.91 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -5.56 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -5.63 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -5.01 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -6.02 -5.26 -4.47 N/A N/A
SPIKE_MHV Spike glycoprotein -5.13 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -5.15 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -5.40 -5.12 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -4.72 -4.77 -5.05 N/A N/A