Sarscov_1 #279 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
Redemsivir ACE2_HUMAN angiotensin converting enzyme 2 -10.02 N/A N/A 27.45% CHEMBL436639
Cloroquine ACE2_HUMAN angiotensin converting enzyme 2 -6.87 N/A N/A 100.00% CHEMBL76
Redemsivir GP160_HIV1 Envelope glycoprotein gp160 -7.99 -7.22 -7.75 N/A N/A
Cloroquine GP160_HIV1 Envelope glycoprotein gp160 -7.09 -7.00 -6.23 N/A N/A
Redemsivir GP160_HIV2 Envelope glycoprotein gp160 -6.38 N/A N/A N/A N/A
Cloroquine GP160_HIV2 Envelope glycoprotein gp160 -5.83 N/A N/A N/A N/A
Redemsivir GP_EBOV Envelope glycoprotein -7.67 -6.99 -7.59 26.79% CHEMBL3125895
Cloroquine GP_EBOV Envelope glycoprotein -6.10 -6.30 -6.38 20.59% CHEMBL3125895
Redemsivir HA_A-H10N7 Hemagglutinin -6.90 N/A N/A N/A N/A
Cloroquine HA_A-H10N7 Hemagglutinin -5.91 N/A N/A N/A N/A
Redemsivir HA_A-H10N8 Hemagglutinin -6.88 N/A N/A N/A N/A
Cloroquine HA_A-H10N8 Hemagglutinin -5.28 N/A N/A N/A N/A
Redemsivir HA_A-H13N6 Hemagglutinin -6.56 N/A N/A N/A N/A
Cloroquine HA_A-H13N6 Hemagglutinin -5.39 N/A N/A N/A N/A
Redemsivir HA_A-H14N6 Hemagglutinin -5.77 N/A N/A N/A N/A
Cloroquine HA_A-H14N6 Hemagglutinin -5.62 N/A N/A N/A N/A
Redemsivir HA_A-H15N9 Hemagglutinin -6.63 N/A N/A N/A N/A
Cloroquine HA_A-H15N9 Hemagglutinin -5.30 N/A N/A N/A N/A
Redemsivir HA_A-H17N10 Hemagglutinin -6.54 N/A N/A N/A N/A
Cloroquine HA_A-H17N10 Hemagglutinin -4.52 N/A N/A N/A N/A
Redemsivir HA_A-H18N11 Hemagglutinin -5.75 N/A N/A N/A N/A
Cloroquine HA_A-H18N11 Hemagglutinin -4.45 N/A N/A N/A N/A
Redemsivir HA_A-H1N1 Hemagglutinin -6.35 -6.53 N/A N/A N/A
Cloroquine HA_A-H1N1 Hemagglutinin -5.57 -5.43 N/A N/A N/A
Redemsivir HA_A-H2N2 Hemagglutinin -6.26 -5.57 N/A N/A N/A
Cloroquine HA_A-H2N2 Hemagglutinin -4.96 -4.77 N/A N/A N/A
Redemsivir HA_A-H3N2 Hemagglutinin -6.45 -6.44 -6.44 N/A N/A
Cloroquine HA_A-H3N2 Hemagglutinin -5.64 -5.50 -5.33 N/A N/A
Redemsivir HA_A-H3N8 Hemagglutinin -5.89 -6.13 -6.42 N/A N/A
Cloroquine HA_A-H3N8 Hemagglutinin -5.05 -5.21 -5.26 N/A N/A
Redemsivir HA_A-H5N1 Hemagglutinin -6.58 -6.27 -7.41 N/A N/A
Cloroquine HA_A-H5N1 Hemagglutinin -5.47 -5.35 -5.27 N/A N/A
Redemsivir HA_A-H5N3 Hemagglutinin -6.27 -7.22 N/A N/A N/A
Cloroquine HA_A-H5N3 Hemagglutinin -5.14 -5.21 N/A N/A N/A
Redemsivir HA_A-H6N1 Hemagglutinin -6.88 N/A N/A N/A N/A
Cloroquine HA_A-H6N1 Hemagglutinin -5.28 N/A N/A N/A N/A
Redemsivir HA_A-H6N6 Hemagglutinin -6.40 N/A N/A N/A N/A
Cloroquine HA_A-H6N6 Hemagglutinin -4.83 N/A N/A N/A N/A
Redemsivir HA_A-H7N2 Hemagglutinin -6.23 -5.84 -6.41 N/A N/A
Cloroquine HA_A-H7N2 Hemagglutinin -5.19 -4.50 -5.28 N/A N/A
Redemsivir HA_A-H7N7 Hemagglutinin -6.41 -7.07 N/A N/A N/A
Cloroquine HA_A-H7N7 Hemagglutinin -4.81 -5.63 N/A N/A N/A
Redemsivir HA_A-H7N9 Hemagglutinin -6.60 N/A N/A N/A N/A
Cloroquine HA_A-H7N9 Hemagglutinin -5.18 N/A N/A N/A N/A
Redemsivir HA_INFB Hemagglutinin -6.59 -6.13 N/A N/A N/A
Cloroquine HA_INFB Hemagglutinin -5.53 -5.84 N/A N/A N/A
Redemsivir HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.43 N/A N/A N/A N/A
Cloroquine HA_INFD Hemagglutinin-esterase-fusion glycoprotein -5.20 N/A N/A N/A N/A
Redemsivir HE_BCV Hemagglutinin-esterase -6.43 -6.95 N/A N/A N/A
Cloroquine HE_BCV Hemagglutinin-esterase -5.59 -5.26 N/A N/A N/A
Redemsivir HE_HCoV-OC43 Hemagglutinin-esterase -6.46 N/A N/A N/A N/A
Cloroquine HE_HCoV-OC43 Hemagglutinin-esterase -4.89 N/A N/A N/A N/A
Redemsivir HE_MHV Hemagglutinin-esterase -6.26 N/A N/A N/A N/A
Cloroquine HE_MHV Hemagglutinin-esterase -5.55 N/A N/A N/A N/A
Redemsivir IN_HIV1 Gag-Pol polyprotein -5.31 -5.43 N/A N/A N/A
Cloroquine IN_HIV1 Gag-Pol polyprotein -4.88 -5.14 N/A N/A N/A
Redemsivir MD_HKU4 Replicase polyprotein 1ab -7.61 -7.93 -8.30 N/A N/A
Cloroquine MD_HKU4 Replicase polyprotein 1ab -7.59 -6.79 -6.95 N/A N/A
Redemsivir MD_MERs Replicase polyprotein 1a -9.01 -8.59 N/A N/A N/A
Cloroquine MD_MERs Replicase polyprotein 1a -7.55 -6.79 N/A N/A N/A
Redemsivir MTASE_SARS2 Methyltransferase -6.72 N/A N/A N/A N/A
Redemsivir MTASE_SARS2 Methyltransferase -7.28 N/A N/A N/A N/A
Cloroquine MTASE_SARS2 Methyltransferase -4.87 N/A N/A N/A N/A
Cloroquine MTASE_SARS2 Methyltransferase -6.50 N/A N/A N/A N/A
Redemsivir MX2_A-H5N1 Matrix protein 2 -2.22 N/A N/A N/A N/A
Cloroquine MX2_A-H5N1 Matrix protein 2 -7.73 N/A N/A N/A N/A
Redemsivir NA_A-H11N6 Neuraminidase -7.80 -8.80 -8.05 N/A N/A
Cloroquine NA_A-H11N6 Neuraminidase -5.83 -5.75 -5.68 N/A N/A
Redemsivir NA_A-H11N9 Neuraminidase -6.30 -7.56 -8.99 N/A N/A
Cloroquine NA_A-H11N9 Neuraminidase -6.01 -6.30 -5.84 N/A N/A
Redemsivir NA_A-H12N5 Neuraminidase -8.29 -8.18 -7.53 N/A N/A
Cloroquine NA_A-H12N5 Neuraminidase -5.90 -6.11 -6.29 N/A N/A
Redemsivir NA_A-H13N9 Neuraminidase -6.12 N/A N/A N/A N/A
Cloroquine NA_A-H13N9 Neuraminidase -5.43 N/A N/A N/A N/A
Redemsivir NA_A-H17N10 Neuraminidase -7.41 N/A N/A N/A N/A
Cloroquine NA_A-H17N10 Neuraminidase -6.06 N/A N/A N/A N/A
Redemsivir NA_A-H18N11 Neuraminidase -7.00 N/A N/A N/A N/A
Cloroquine NA_A-H18N11 Neuraminidase -4.98 N/A N/A N/A N/A
Redemsivir NA_A-H1N1 Neuraminidase -8.98 N/A N/A N/A N/A
Cloroquine NA_A-H1N1 Neuraminidase -6.01 N/A N/A N/A N/A
Redemsivir NA_A-H2N2 Neuraminidase -7.56 -8.14 -7.25 N/A N/A
Cloroquine NA_A-H2N2 Neuraminidase -6.24 -5.65 -5.95 N/A N/A
Redemsivir NA_A-H3N2 Ig heavy chain Mem5 -7.79 -7.78 N/A N/A N/A
Cloroquine NA_A-H3N2 Ig heavy chain Mem5 -5.21 -5.95 N/A N/A N/A
Redemsivir NA_A-H3N8 Neuraminidase -7.99 -7.73 -8.58 N/A N/A
Cloroquine NA_A-H3N8 Neuraminidase -5.92 -5.99 -6.39 N/A N/A
Redemsivir NA_A-H5N1 Neuraminidase -8.59 N/A N/A N/A N/A
Cloroquine NA_A-H5N1 Neuraminidase -6.45 N/A N/A N/A N/A
Redemsivir NA_A-H7N9 Neuraminidase -8.90 -7.99 -8.66 N/A N/A
Cloroquine NA_A-H7N9 Neuraminidase -6.00 -5.97 -5.83 N/A N/A
Redemsivir NA_INFB Neuraminidase -8.03 -8.14 N/A 21.22% CHEMBL362993
Cloroquine NA_INFB Neuraminidase -5.72 -5.76 N/A 24.86% CHEMBL4175983
Redemsivir NP_A-H1N1 Nucleoprotein -5.67 -6.69 -6.76 N/A N/A
Cloroquine NP_A-H1N1 Nucleoprotein -5.29 -6.26 -5.55 N/A N/A
Redemsivir NP_A-H5N1 Nucleoprotein -5.95 N/A N/A N/A N/A
Cloroquine NP_A-H5N1 Nucleoprotein -5.97 N/A N/A N/A N/A
Redemsivir NP_HCoV-NL63 Nucleoprotein -6.78 N/A N/A N/A N/A
Cloroquine NP_HCoV-NL63 Nucleoprotein -5.50 N/A N/A N/A N/A
Redemsivir NP_HCoV-OC43 Nucleoprotein -7.65 -7.15 -7.01 11.03% CHEMBL3233481
Cloroquine NP_HCoV-OC43 Nucleoprotein -7.48 -5.97 -6.13 37.89% CHEMBL3233481
Redemsivir NP_INFB Nucleoprotein -5.79 N/A N/A N/A N/A
Cloroquine NP_INFB Nucleoprotein -4.58 N/A N/A N/A N/A
Redemsivir NP_INFD NP -5.52 N/A N/A N/A N/A
Cloroquine NP_INFD NP -4.62 N/A N/A N/A N/A
Redemsivir NP_SARS Nucleoprotein -7.18 N/A N/A N/A N/A
Cloroquine NP_SARS Nucleoprotein -6.28 N/A N/A N/A N/A
Redemsivir NS3_HCV1A Genome polyprotein -6.20 -6.39 -6.70 50.17% CHEMBL3696815
Cloroquine NS3_HCV1A Genome polyprotein -5.16 -4.69 -5.88 29.68% CHEMBL4115214
Redemsivir NS3_HCV1B Genome polyprotein -6.96 -6.70 -5.16 23.98% CHEMBL297884
Cloroquine NS3_HCV1B Genome polyprotein -5.49 -5.56 -4.99 19.33% CHEMBL231813
Redemsivir NS3_HCV3A Genome polyprotein -6.71 -7.06 -7.04 N/A N/A
Cloroquine NS3_HCV3A Genome polyprotein -5.88 -5.55 -5.73 N/A N/A
Redemsivir NS5B_HCV1A Genome polyprotein -8.15 -9.00 -8.88 26.36% CHEMBL353549
Cloroquine NS5B_HCV1A Genome polyprotein -6.72 -6.96 -6.85 34.11% CHEMBL363650
Redemsivir NS5B_HCV1B Genome polyprotein -8.18 -8.08 -7.92 67.51% CHEMBL4111989
Cloroquine NS5B_HCV1B Genome polyprotein -6.80 -6.48 -6.58 34.78% CHEMBL99408
Redemsivir NS5B_HCV2A Genome polyprotein -9.42 -9.48 N/A N/A N/A
Cloroquine NS5B_HCV2A Genome polyprotein -7.38 -7.77 N/A N/A N/A
Redemsivir NSP15_SARS Replicase polyprotein 1ab -6.53 N/A N/A 18.75% CHEMBL2441745
Cloroquine NSP15_SARS Replicase polyprotein 1ab -5.37 N/A N/A 21.43% CHEMBL3105073
Redemsivir NSP15_SARS2 Replicase polyprotein 1ab -6.60 N/A N/A N/A N/A
Cloroquine NSP15_SARS2 Replicase polyprotein 1ab -5.71 N/A N/A N/A N/A
Redemsivir NSP1_INFB Non-structural protein 1 -6.14 -6.12 N/A N/A N/A
Cloroquine NSP1_INFB Non-structural protein 1 -5.40 -4.83 N/A N/A N/A
Redemsivir NSP1_SARS Replicase polyprotein 1ab -5.92 N/A N/A 18.75% CHEMBL2441745
Cloroquine NSP1_SARS Replicase polyprotein 1ab -5.09 N/A N/A 21.43% CHEMBL3105073
Redemsivir NSP3_HCoV-229E Replicase polyprotein 1a -8.86 N/A N/A N/A N/A
Cloroquine NSP3_HCoV-229E Replicase polyprotein 1a -7.74 N/A N/A N/A N/A
Redemsivir NSP3_IBV Replicase polyprotein 1a -8.23 N/A N/A N/A N/A
Cloroquine NSP3_IBV Replicase polyprotein 1a -7.39 N/A N/A N/A N/A
Redemsivir NSP3_MHV Replicase polyprotein 1ab -6.48 N/A N/A N/A N/A
Cloroquine NSP3_MHV Replicase polyprotein 1ab -6.06 N/A N/A N/A N/A
Redemsivir NSP3_SARS2 Replicase polyprotein 1ab -7.24 N/A N/A N/A N/A
Cloroquine NSP3_SARS2 Replicase polyprotein 1ab -6.24 N/A N/A N/A N/A
Redemsivir NSP9_HCoV-229E Replicase polyprotein 1ab -6.24 -6.56 N/A N/A N/A
Cloroquine NSP9_HCoV-229E Replicase polyprotein 1ab -5.69 -5.33 N/A N/A N/A
Redemsivir PA_A-H17N10 Polymerase acidic protein -7.47 N/A N/A N/A N/A
Cloroquine PA_A-H17N10 Polymerase acidic protein -6.17 N/A N/A N/A N/A
Redemsivir PA_A-H1N1 Polymerase acidic protein -7.90 -7.75 -8.05 N/A N/A
Cloroquine PA_A-H1N1 Polymerase acidic protein -6.11 -6.48 -6.15 N/A N/A
Redemsivir PA_A-H5N1 Polymerase acidic protein -8.03 -7.20 -7.92 N/A N/A
Cloroquine PA_A-H5N1 Polymerase acidic protein -6.11 -5.71 -5.99 N/A N/A
Redemsivir PA_INFA Polymerase acidic protein -8.17 -7.48 -7.71 19.75% CHEMBL2443239
Cloroquine PA_INFA Polymerase acidic protein -7.05 -6.17 -6.57 27.42% CHEMBL463590
Redemsivir PA_INFB Polymerase acidic protein -7.73 N/A N/A N/A N/A
Cloroquine PA_INFB Polymerase acidic protein -5.93 N/A N/A N/A N/A
Redemsivir PB2_A-H3N2 Polymerase basic protein 2 -7.04 -7.21 N/A N/A N/A
Cloroquine PB2_A-H3N2 Polymerase basic protein 2 -6.23 -6.56 N/A N/A N/A
Redemsivir PB2_A-H5N1 Polymerase basic protein 2 -7.40 -6.70 -7.95 N/A N/A
Cloroquine PB2_A-H5N1 Polymerase basic protein 2 -6.29 -6.90 -6.64 N/A N/A
Redemsivir PB2_INFB Polymerase basic protein 2 -6.66 N/A N/A N/A N/A
Cloroquine PB2_INFB Polymerase basic protein 2 -7.10 N/A N/A N/A N/A
Redemsivir PB3_A-H3N2 Polymerase basic protein 2 -7.24 N/A N/A N/A N/A
Cloroquine PB3_A-H3N2 Polymerase basic protein 2 -6.67 N/A N/A N/A N/A
Redemsivir PB4_A-H3N2 Polymerase basic protein 2 -7.54 N/A N/A N/A N/A
Cloroquine PB4_A-H3N2 Polymerase basic protein 2 -6.92 N/A N/A N/A N/A
Redemsivir PLP_SARS Replicase polyprotein 1a -8.02 -8.49 -8.24 21.38% CHEMBL225515
Cloroquine PLP_SARS Replicase polyprotein 1a -6.91 -7.22 -6.42 26.16% CHEMBL365134
Redemsivir PLP_SARS2 papain-like protease -6.54 N/A N/A N/A N/A
Cloroquine PLP_SARS2 papain-like protease -5.27 N/A N/A N/A N/A
Redemsivir PR_FCoV Replicase polyprotein 1ab -6.91 N/A N/A N/A N/A
Cloroquine PR_FCoV Replicase polyprotein 1ab -5.84 N/A N/A N/A N/A
Redemsivir PR_HCoV-229E Replicase polyprotein 1a -7.09 -6.63 N/A N/A N/A
Cloroquine PR_HCoV-229E Replicase polyprotein 1a -5.86 -5.69 N/A N/A N/A
Redemsivir PR_HCoV-NL63 Replicase polyprotein 1a -4.90 -7.48 N/A N/A N/A
Cloroquine PR_HCoV-NL63 Replicase polyprotein 1a -4.35 -5.64 N/A N/A N/A
Redemsivir PR_HIV1 Gag-Pol polyprotein -5.76 -6.20 -6.32 22.62% CHEMBL494499
Cloroquine PR_HIV1 Gag-Pol polyprotein -5.45 -5.34 -5.62 15.59% CHEMBL523528
Redemsivir PR_HIV2 Gag-Pol polyprotein -7.03 -6.29 N/A N/A N/A
Cloroquine PR_HIV2 Gag-Pol polyprotein -5.65 -4.95 N/A N/A N/A
Redemsivir PR_HKU1 Replicase polyprotein 1a -7.37 N/A N/A N/A N/A
Cloroquine PR_HKU1 Replicase polyprotein 1a -5.76 N/A N/A N/A N/A
Redemsivir PR_HKU4 Replicase polyprotein 1ab -6.80 -6.94 -6.94 N/A N/A
Cloroquine PR_HKU4 Replicase polyprotein 1ab -5.64 -6.05 -5.85 N/A N/A
Redemsivir PR_IBV Replicase polyprotein 1a -7.11 N/A N/A N/A N/A
Cloroquine PR_IBV Replicase polyprotein 1a -6.22 N/A N/A N/A N/A
Redemsivir PR_MERs 3C-like proteinase -6.79 -7.73 N/A N/A N/A
Cloroquine PR_MERs 3C-like proteinase -6.06 -5.84 N/A N/A N/A
Redemsivir PR_PEDV 3C-like proteinase -7.58 N/A N/A N/A N/A
Cloroquine PR_PEDV 3C-like proteinase -5.79 N/A N/A N/A N/A
Redemsivir PR_SARS Replicase polyprotein 1ab -7.19 -6.82 -6.53 18.75% CHEMBL2441745
Cloroquine PR_SARS Replicase polyprotein 1ab -5.71 -5.52 -6.29 21.43% CHEMBL3105073
Redemsivir PR_SARS2 3C-like protease -7.44 N/A N/A N/A N/A
Cloroquine PR_SARS2 3C-like protease -5.59 N/A N/A N/A N/A
Redemsivir PR_TGEV Replicase polyprotein 1a -6.76 N/A N/A N/A N/A
Cloroquine PR_TGEV Replicase polyprotein 1a -5.40 N/A N/A N/A N/A
Redemsivir RDRP_SARS2 RNA-dependent RNA polymerase -6.90 N/A N/A 100.00% CHEMBL4065616
Cloroquine RDRP_SARS2 RNA-dependent RNA polymerase -4.91 N/A N/A 13.64% CHEMBL4065616
Redemsivir RT_HIV1 Gag-Pol polyprotein -9.22 -9.03 -9.03 28.68% CHEMBL4108778
Cloroquine RT_HIV1 Gag-Pol polyprotein -8.10 -8.01 -8.03 27.82% CHEMBL4227382
Redemsivir SPIKE_HCoV-229E Spike glycoprotein -4.70 N/A N/A N/A N/A
Cloroquine SPIKE_HCoV-229E Spike glycoprotein -4.01 N/A N/A N/A N/A
Redemsivir SPIKE_HCoV-NL63 Spike glycoprotein -5.39 N/A N/A N/A N/A
Cloroquine SPIKE_HCoV-NL63 Spike glycoprotein -5.12 N/A N/A N/A N/A
Redemsivir SPIKE_HCoV-OC43 Spike glycoprotein -6.80 N/A N/A N/A N/A
Cloroquine SPIKE_HCoV-OC43 Spike glycoprotein -4.89 N/A N/A N/A N/A
Redemsivir SPIKE_HKU4 Spike glycoprotein -6.62 N/A N/A N/A N/A
Cloroquine SPIKE_HKU4 Spike glycoprotein -5.25 N/A N/A N/A N/A
Redemsivir SPIKE_IBV Spike glycoprotein -6.21 N/A N/A N/A N/A
Cloroquine SPIKE_IBV Spike glycoprotein -4.88 N/A N/A N/A N/A
Redemsivir SPIKE_MERs Spike glycoprotein -6.66 -6.16 -5.78 N/A N/A
Cloroquine SPIKE_MERs Spike glycoprotein -5.72 -5.19 -4.63 N/A N/A
Redemsivir SPIKE_MHV Spike glycoprotein -6.60 N/A N/A N/A N/A
Cloroquine SPIKE_MHV Spike glycoprotein -5.38 N/A N/A N/A N/A
Redemsivir SPIKE_PDCoV Spike protein -6.74 N/A N/A N/A N/A
Cloroquine SPIKE_PDCoV Spike protein -5.08 N/A N/A N/A N/A
Redemsivir SPIKE_SARS Spike glycoprotein -6.20 -6.48 N/A N/A N/A
Cloroquine SPIKE_SARS Spike glycoprotein -5.47 -5.00 N/A N/A N/A
Redemsivir SPIKE_SARS2 Spike glycoprotein -6.28 -6.03 -5.84 N/A N/A
Cloroquine SPIKE_SARS2 Spike glycoprotein -4.72 -4.74 -5.28 N/A N/A