Hydroxychloroquine #112 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

Ligand Protein Symbol Approved Name Docking Scores Similarity
Score
Best Match
Model 1 Model 2 Model 3
Hydroxychloroquine GP160_HIV1 Envelope glycoprotein gp160 -7.17 -7.06 -5.22 N/A N/A
Chloroquine GP160_HIV1 Envelope glycoprotein gp160 -7.09 -7.00 -6.23 N/A N/A
Hydroxychloroquine GP160_HIV2 Envelope glycoprotein gp160 -5.68 N/A N/A N/A N/A
Chloroquine GP160_HIV2 Envelope glycoprotein gp160 -5.83 N/A N/A N/A N/A
Hydroxychloroquine GP_EBOV Envelope glycoprotein -6.19 -6.39 -6.65 23.11% CHEMBL3125895
Chloroquine GP_EBOV Envelope glycoprotein -6.10 -6.30 -6.38 20.59% CHEMBL3125895
Hydroxychloroquine HA_A-H10N7 Hemagglutinin -6.01 N/A N/A N/A N/A
Chloroquine HA_A-H10N7 Hemagglutinin -5.91 N/A N/A N/A N/A
Hydroxychloroquine HA_A-H10N8 Hemagglutinin -5.21 N/A N/A N/A N/A
Chloroquine HA_A-H10N8 Hemagglutinin -5.28 N/A N/A N/A N/A
Hydroxychloroquine HA_A-H13N6 Hemagglutinin -5.27 N/A N/A N/A N/A
Chloroquine HA_A-H13N6 Hemagglutinin -5.39 N/A N/A N/A N/A
Hydroxychloroquine HA_A-H14N6 Hemagglutinin -5.74 N/A N/A N/A N/A
Chloroquine HA_A-H14N6 Hemagglutinin -5.62 N/A N/A N/A N/A
Hydroxychloroquine HA_A-H15N9 Hemagglutinin -5.65 N/A N/A N/A N/A
Chloroquine HA_A-H15N9 Hemagglutinin -5.30 N/A N/A N/A N/A
Hydroxychloroquine HA_A-H17N10 Hemagglutinin -4.68 N/A N/A N/A N/A
Chloroquine HA_A-H17N10 Hemagglutinin -4.52 N/A N/A N/A N/A
Hydroxychloroquine HA_A-H18N11 Hemagglutinin -4.91 N/A N/A N/A N/A
Chloroquine HA_A-H18N11 Hemagglutinin -4.45 N/A N/A N/A N/A
Hydroxychloroquine HA_A-H1N1 Hemagglutinin -5.89 -5.53 N/A N/A N/A
Chloroquine HA_A-H1N1 Hemagglutinin -5.57 -5.43 N/A N/A N/A
Hydroxychloroquine HA_A-H2N2 Hemagglutinin -5.12 -5.20 N/A N/A N/A
Chloroquine HA_A-H2N2 Hemagglutinin -4.96 -4.77 N/A N/A N/A
Hydroxychloroquine HA_A-H3N2 Hemagglutinin -5.85 -5.53 -5.38 N/A N/A
Chloroquine HA_A-H3N2 Hemagglutinin -5.64 -5.50 -5.33 N/A N/A
Hydroxychloroquine HA_A-H3N8 Hemagglutinin -5.15 -5.19 -5.54 N/A N/A
Chloroquine HA_A-H3N8 Hemagglutinin -5.05 -5.21 -5.26 N/A N/A
Hydroxychloroquine HA_A-H5N1 Hemagglutinin -6.10 -5.39 -5.53 N/A N/A
Chloroquine HA_A-H5N1 Hemagglutinin -5.47 -5.35 -5.27 N/A N/A
Hydroxychloroquine HA_A-H5N3 Hemagglutinin -5.20 -5.37 N/A N/A N/A
Chloroquine HA_A-H5N3 Hemagglutinin -5.14 -5.21 N/A N/A N/A
Hydroxychloroquine HA_A-H6N1 Hemagglutinin -5.21 N/A N/A N/A N/A
Chloroquine HA_A-H6N1 Hemagglutinin -5.28 N/A N/A N/A N/A
Hydroxychloroquine HA_A-H6N6 Hemagglutinin -4.98 N/A N/A N/A N/A
Chloroquine HA_A-H6N6 Hemagglutinin -4.83 N/A N/A N/A N/A
Hydroxychloroquine HA_A-H7N2 Hemagglutinin -5.38 -5.17 -5.16 N/A N/A
Chloroquine HA_A-H7N2 Hemagglutinin -5.19 -4.50 -5.28 N/A N/A
Hydroxychloroquine HA_A-H7N7 Hemagglutinin -4.65 -5.92 N/A N/A N/A
Chloroquine HA_A-H7N7 Hemagglutinin -4.81 -5.63 N/A N/A N/A
Hydroxychloroquine HA_A-H7N9 Hemagglutinin -5.56 N/A N/A N/A N/A
Chloroquine HA_A-H7N9 Hemagglutinin -5.18 N/A N/A N/A N/A
Hydroxychloroquine HA_INFB Hemagglutinin -5.44 -5.52 N/A N/A N/A
Chloroquine HA_INFB Hemagglutinin -5.53 -5.84 N/A N/A N/A
Hydroxychloroquine HA_INFD Hemagglutinin-esterase-fusion glycoprotein -5.06 N/A N/A N/A N/A
Chloroquine HA_INFD Hemagglutinin-esterase-fusion glycoprotein -5.20 N/A N/A N/A N/A
Hydroxychloroquine HE_BCV Hemagglutinin-esterase -5.75 -5.44 N/A N/A N/A
Chloroquine HE_BCV Hemagglutinin-esterase -5.59 -5.26 N/A N/A N/A
Hydroxychloroquine HE_HCoV-OC43 Hemagglutinin-esterase -4.68 N/A N/A N/A N/A
Chloroquine HE_HCoV-OC43 Hemagglutinin-esterase -4.89 N/A N/A N/A N/A
Hydroxychloroquine HE_MHV Hemagglutinin-esterase -4.98 N/A N/A N/A N/A
Chloroquine HE_MHV Hemagglutinin-esterase -5.55 N/A N/A N/A N/A
Hydroxychloroquine IN_HIV1 Gag-Pol polyprotein -4.87 -4.85 N/A N/A N/A
Chloroquine IN_HIV1 Gag-Pol polyprotein -4.88 -5.14 N/A N/A N/A
Hydroxychloroquine MD_HKU4 Replicase polyprotein 1ab -7.42 -7.18 -7.25 N/A N/A
Chloroquine MD_HKU4 Replicase polyprotein 1ab -7.59 -6.79 -6.95 N/A N/A
Hydroxychloroquine MD_MERs Replicase polyprotein 1a -7.71 -7.02 N/A N/A N/A
Chloroquine MD_MERs Replicase polyprotein 1a -7.55 -6.79 N/A N/A N/A
Hydroxychloroquine MX2_A-H5N1 Matrix protein 2 -7.80 N/A N/A N/A N/A
Chloroquine MX2_A-H5N1 Matrix protein 2 -7.73 N/A N/A N/A N/A
Hydroxychloroquine NA_A-H11N6 Neuraminidase -6.42 -6.12 -6.02 N/A N/A
Chloroquine NA_A-H11N6 Neuraminidase -5.83 -5.75 -5.68 N/A N/A
Hydroxychloroquine NA_A-H11N9 Neuraminidase -6.38 -6.61 -6.55 N/A N/A
Chloroquine NA_A-H11N9 Neuraminidase -6.01 -6.30 -5.84 N/A N/A
Hydroxychloroquine NA_A-H12N5 Neuraminidase -5.86 -6.50 -5.98 N/A N/A
Chloroquine NA_A-H12N5 Neuraminidase -5.90 -6.11 -6.29 N/A N/A
Hydroxychloroquine NA_A-H13N9 Neuraminidase -5.16 N/A N/A N/A N/A
Chloroquine NA_A-H13N9 Neuraminidase -5.43 N/A N/A N/A N/A
Hydroxychloroquine NA_A-H17N10 Neuraminidase -5.94 N/A N/A N/A N/A
Chloroquine NA_A-H17N10 Neuraminidase -6.06 N/A N/A N/A N/A
Hydroxychloroquine NA_A-H18N11 Neuraminidase -5.68 N/A N/A N/A N/A
Chloroquine NA_A-H18N11 Neuraminidase -4.98 N/A N/A N/A N/A
Hydroxychloroquine NA_A-H1N1 Neuraminidase -6.37 N/A N/A N/A N/A
Chloroquine NA_A-H1N1 Neuraminidase -6.01 N/A N/A N/A N/A
Hydroxychloroquine NA_A-H2N2 Neuraminidase -6.38 -5.86 -5.91 N/A N/A
Chloroquine NA_A-H2N2 Neuraminidase -6.24 -5.65 -5.95 N/A N/A
Hydroxychloroquine NA_A-H3N2 Ig heavy chain Mem5 -5.22 -5.60 N/A N/A N/A
Chloroquine NA_A-H3N2 Ig heavy chain Mem5 -5.21 -5.95 N/A N/A N/A
Hydroxychloroquine NA_A-H3N8 Neuraminidase -6.02 -6.42 -6.31 N/A N/A
Chloroquine NA_A-H3N8 Neuraminidase -5.92 -5.99 -6.39 N/A N/A
Hydroxychloroquine NA_A-H5N1 Neuraminidase -6.37 N/A N/A N/A N/A
Chloroquine NA_A-H5N1 Neuraminidase -6.45 N/A N/A N/A N/A
Hydroxychloroquine NA_A-H7N9 Neuraminidase -6.06 -6.18 -5.96 N/A N/A
Chloroquine NA_A-H7N9 Neuraminidase -6.00 -5.97 -5.83 N/A N/A
Hydroxychloroquine NA_INFB Neuraminidase -5.70 -5.99 N/A 27.59% CHEMBL4175983
Chloroquine NA_INFB Neuraminidase -5.72 -5.76 N/A 24.86% CHEMBL4175983
Hydroxychloroquine NP_A-H1N1 Nucleoprotein -5.49 -6.29 -5.76 N/A N/A
Chloroquine NP_A-H1N1 Nucleoprotein -5.29 -6.26 -5.55 N/A N/A
Hydroxychloroquine NP_A-H5N1 Nucleoprotein -5.85 N/A N/A N/A N/A
Chloroquine NP_A-H5N1 Nucleoprotein -5.97 N/A N/A N/A N/A
Hydroxychloroquine NP_HCoV-NL63 Nucleoprotein -5.72 N/A N/A N/A N/A
Chloroquine NP_HCoV-NL63 Nucleoprotein -5.50 N/A N/A N/A N/A
Hydroxychloroquine NP_HCoV-OC43 Nucleoprotein -7.35 -6.06 -6.10 35.64% CHEMBL3233481
Chloroquine NP_HCoV-OC43 Nucleoprotein -7.48 -5.97 -6.13 37.89% CHEMBL3233481
Hydroxychloroquine NP_INFB Nucleoprotein -4.70 N/A N/A N/A N/A
Chloroquine NP_INFB Nucleoprotein -4.58 N/A N/A N/A N/A
Hydroxychloroquine NP_INFD NP -4.56 N/A N/A N/A N/A
Chloroquine NP_INFD NP -4.62 N/A N/A N/A N/A
Hydroxychloroquine NP_SARS Nucleoprotein -6.31 N/A N/A N/A N/A
Chloroquine NP_SARS Nucleoprotein -6.28 N/A N/A N/A N/A
Hydroxychloroquine NS3_HCV1A Genome polyprotein -5.38 -5.26 -6.55 30.19% CHEMBL4115214
Chloroquine NS3_HCV1A Genome polyprotein -5.16 -4.69 -5.88 29.68% CHEMBL4115214
Hydroxychloroquine NS3_HCV1B Genome polyprotein -6.78 -6.73 -4.85 20.42% CHEMBL3954962
Chloroquine NS3_HCV1B Genome polyprotein -5.49 -5.56 -4.99 19.33% CHEMBL231813
Hydroxychloroquine NS3_HCV3A Genome polyprotein -5.71 -5.45 -5.36 N/A N/A
Chloroquine NS3_HCV3A Genome polyprotein -5.88 -5.55 -5.73 N/A N/A
Hydroxychloroquine NS5B_HCV1A Genome polyprotein -6.85 -6.83 -6.87 34.59% CHEMBL363650
Chloroquine NS5B_HCV1A Genome polyprotein -6.72 -6.96 -6.85 34.11% CHEMBL363650
Hydroxychloroquine NS5B_HCV1B Genome polyprotein -6.48 -6.40 -6.39 32.00% CHEMBL99408
Chloroquine NS5B_HCV1B Genome polyprotein -6.80 -6.48 -6.58 34.78% CHEMBL99408
Hydroxychloroquine NS5B_HCV2A Genome polyprotein -7.13 -7.37 N/A N/A N/A
Chloroquine NS5B_HCV2A Genome polyprotein -7.38 -7.77 N/A N/A N/A
Hydroxychloroquine NSP15_SARS Replicase polyprotein 1ab -5.76 N/A N/A 21.57% CHEMBL2441741
Chloroquine NSP15_SARS Replicase polyprotein 1ab -5.37 N/A N/A 21.43% CHEMBL3105073
Hydroxychloroquine NSP1_INFB Non-structural protein 1 -5.15 -4.88 N/A N/A N/A
Chloroquine NSP1_INFB Non-structural protein 1 -5.40 -4.83 N/A N/A N/A
Hydroxychloroquine NSP1_SARS Replicase polyprotein 1ab -5.00 N/A N/A 21.57% CHEMBL2441741
Chloroquine NSP1_SARS Replicase polyprotein 1ab -5.09 N/A N/A 21.43% CHEMBL3105073
Hydroxychloroquine NSP3_HCoV-229E Replicase polyprotein 1a -7.68 N/A N/A N/A N/A
Chloroquine NSP3_HCoV-229E Replicase polyprotein 1a -7.74 N/A N/A N/A N/A
Hydroxychloroquine NSP3_IBV Replicase polyprotein 1a -6.97 N/A N/A N/A N/A
Chloroquine NSP3_IBV Replicase polyprotein 1a -7.39 N/A N/A N/A N/A
Hydroxychloroquine NSP3_MHV Replicase polyprotein 1ab -6.03 N/A N/A N/A N/A
Chloroquine NSP3_MHV Replicase polyprotein 1ab -6.06 N/A N/A N/A N/A
Hydroxychloroquine NSP9_HCoV-229E Replicase polyprotein 1ab -5.67 -4.93 N/A N/A N/A
Chloroquine NSP9_HCoV-229E Replicase polyprotein 1ab -5.69 -5.33 N/A N/A N/A
Hydroxychloroquine PA_A-H17N10 Polymerase acidic protein -6.19 N/A N/A N/A N/A
Chloroquine PA_A-H17N10 Polymerase acidic protein -6.17 N/A N/A N/A N/A
Hydroxychloroquine PA_A-H1N1 Polymerase acidic protein -6.88 -6.18 -6.31 N/A N/A
Chloroquine PA_A-H1N1 Polymerase acidic protein -6.11 -6.48 -6.15 N/A N/A
Hydroxychloroquine PA_A-H5N1 Polymerase acidic protein -6.51 -6.11 -6.43 N/A N/A
Chloroquine PA_A-H5N1 Polymerase acidic protein -6.11 -5.71 -5.99 N/A N/A
Hydroxychloroquine PA_INFA Polymerase acidic protein -7.49 -6.00 -6.00 28.12% CHEMBL463590
Chloroquine PA_INFA Polymerase acidic protein -7.05 -6.17 -6.57 27.42% CHEMBL463590
Hydroxychloroquine PA_INFB Polymerase acidic protein -5.72 N/A N/A N/A N/A
Chloroquine PA_INFB Polymerase acidic protein -5.93 N/A N/A N/A N/A
Hydroxychloroquine PB2_A-H3N2 Polymerase basic protein 2 -6.33 -6.84 N/A N/A N/A
Chloroquine PB2_A-H3N2 Polymerase basic protein 2 -6.23 -6.56 N/A N/A N/A
Hydroxychloroquine PB2_A-H5N1 Polymerase basic protein 2 -6.35 -6.87 -6.33 N/A N/A
Chloroquine PB2_A-H5N1 Polymerase basic protein 2 -6.29 -6.90 -6.64 N/A N/A
Hydroxychloroquine PB2_INFB Polymerase basic protein 2 -6.93 N/A N/A N/A N/A
Chloroquine PB2_INFB Polymerase basic protein 2 -7.10 N/A N/A N/A N/A
Hydroxychloroquine PB3_A-H3N2 Polymerase basic protein 2 -6.79 N/A N/A N/A N/A
Chloroquine PB3_A-H3N2 Polymerase basic protein 2 -6.67 N/A N/A N/A N/A
Hydroxychloroquine PB4_A-H3N2 Polymerase basic protein 2 -6.84 N/A N/A N/A N/A
Chloroquine PB4_A-H3N2 Polymerase basic protein 2 -6.92 N/A N/A N/A N/A
Hydroxychloroquine PLP_SARS Replicase polyprotein 1a -6.98 -6.82 -6.57 26.39% CHEMBL358279
Chloroquine PLP_SARS Replicase polyprotein 1a -6.91 -7.22 -6.42 26.16% CHEMBL365134
Hydroxychloroquine PR_FCoV Replicase polyprotein 1ab -5.93 N/A N/A N/A N/A
Chloroquine PR_FCoV Replicase polyprotein 1ab -5.84 N/A N/A N/A N/A
Hydroxychloroquine PR_HCoV-229E Replicase polyprotein 1a -5.98 -5.72 N/A N/A N/A
Chloroquine PR_HCoV-229E Replicase polyprotein 1a -5.86 -5.69 N/A N/A N/A
Hydroxychloroquine PR_HCoV-NL63 Replicase polyprotein 1a -3.76 -5.61 N/A N/A N/A
Chloroquine PR_HCoV-NL63 Replicase polyprotein 1a -4.35 -5.64 N/A N/A N/A
Hydroxychloroquine PR_HIV1 Gag-Pol polyprotein -5.40 -5.85 -5.74 18.82% CHEMBL523528
Chloroquine PR_HIV1 Gag-Pol polyprotein -5.45 -5.34 -5.62 15.59% CHEMBL523528
Hydroxychloroquine PR_HIV2 Gag-Pol polyprotein -6.02 -5.15 N/A N/A N/A
Chloroquine PR_HIV2 Gag-Pol polyprotein -5.65 -4.95 N/A N/A N/A
Hydroxychloroquine PR_HKU1 Replicase polyprotein 1a -5.46 N/A N/A N/A N/A
Chloroquine PR_HKU1 Replicase polyprotein 1a -5.76 N/A N/A N/A N/A
Hydroxychloroquine PR_HKU4 Replicase polyprotein 1ab -5.69 -5.89 -5.86 N/A N/A
Chloroquine PR_HKU4 Replicase polyprotein 1ab -5.64 -6.05 -5.85 N/A N/A
Hydroxychloroquine PR_IBV Replicase polyprotein 1a -6.18 N/A N/A N/A N/A
Chloroquine PR_IBV Replicase polyprotein 1a -6.22 N/A N/A N/A N/A
Hydroxychloroquine PR_MERs 3C-like proteinase -6.38 -5.96 N/A N/A N/A
Chloroquine PR_MERs 3C-like proteinase -6.06 -5.84 N/A N/A N/A
Hydroxychloroquine PR_PEDV 3C-like proteinase -6.04 N/A N/A N/A N/A
Chloroquine PR_PEDV 3C-like proteinase -5.79 N/A N/A N/A N/A
Hydroxychloroquine PR_SARS Replicase polyprotein 1ab -6.05 -5.85 -6.03 21.57% CHEMBL2441741
Chloroquine PR_SARS Replicase polyprotein 1ab -5.71 -5.52 -6.29 21.43% CHEMBL3105073
Hydroxychloroquine PR_SARS2 3C-like protease -6.05 N/A N/A N/A N/A
Chloroquine PR_SARS2 3C-like protease -5.59 N/A N/A N/A N/A
Hydroxychloroquine PR_TGEV Replicase polyprotein 1a -6.07 N/A N/A N/A N/A
Chloroquine PR_TGEV Replicase polyprotein 1a -5.40 N/A N/A N/A N/A
Hydroxychloroquine RT_HIV1 Gag-Pol polyprotein -8.10 -7.77 -7.65 28.47% CHEMBL4227382
Chloroquine RT_HIV1 Gag-Pol polyprotein -8.10 -8.01 -8.03 27.82% CHEMBL4227382
Hydroxychloroquine SPIKE_HCoV-229E Spike glycoprotein -4.29 N/A N/A N/A N/A
Chloroquine SPIKE_HCoV-229E Spike glycoprotein -4.01 N/A N/A N/A N/A
Hydroxychloroquine SPIKE_HCoV-NL63 Spike glycoprotein -4.91 N/A N/A N/A N/A
Chloroquine SPIKE_HCoV-NL63 Spike glycoprotein -5.12 N/A N/A N/A N/A
Hydroxychloroquine SPIKE_HCoV-OC43 Spike glycoprotein -5.56 N/A N/A N/A N/A
Chloroquine SPIKE_HCoV-OC43 Spike glycoprotein -4.89 N/A N/A N/A N/A
Hydroxychloroquine SPIKE_HKU4 Spike glycoprotein -5.63 N/A N/A N/A N/A
Chloroquine SPIKE_HKU4 Spike glycoprotein -5.25 N/A N/A N/A N/A
Hydroxychloroquine SPIKE_IBV Spike glycoprotein -5.01 N/A N/A N/A N/A
Chloroquine SPIKE_IBV Spike glycoprotein -4.88 N/A N/A N/A N/A
Hydroxychloroquine SPIKE_MERs Spike glycoprotein -6.02 -5.26 -4.47 N/A N/A
Chloroquine SPIKE_MERs Spike glycoprotein -5.72 -5.19 -4.63 N/A N/A
Hydroxychloroquine SPIKE_MHV Spike glycoprotein -5.13 N/A N/A N/A N/A
Chloroquine SPIKE_MHV Spike glycoprotein -5.38 N/A N/A N/A N/A
Hydroxychloroquine SPIKE_PDCoV Spike protein -5.15 N/A N/A N/A N/A
Chloroquine SPIKE_PDCoV Spike protein -5.08 N/A N/A N/A N/A
Hydroxychloroquine SPIKE_SARS Spike glycoprotein -5.40 -5.12 N/A N/A N/A
Chloroquine SPIKE_SARS Spike glycoprotein -5.47 -5.00 N/A N/A N/A
Hydroxychloroquine SPIKE_SARS2 Spike glycoprotein -4.72 N/A N/A N/A N/A
Chloroquine SPIKE_SARS2 Spike glycoprotein -4.72 N/A N/A N/A N/A