vc1784 #326 Output Download CSV

Gene Protein
 
  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
2 Coumarinate ACE2_HUMAN angiotensin converting enzyme 2 -6.43 N/A N/A 23.81% CHEMBL253224
Agapanthagenin ACE2_HUMAN angiotensin converting enzyme 2 -10.75 N/A N/A 12.61% CHEMBL257026
2 Coumarinate GP160_HIV1 Envelope glycoprotein gp160 -5.31 -7.16 -6.79 N/A N/A
Agapanthagenin GP160_HIV1 Envelope glycoprotein gp160 -7.37 -7.45 -6.89 N/A N/A
2 Coumarinate GP160_HIV2 Envelope glycoprotein gp160 -5.25 N/A N/A N/A N/A
Agapanthagenin GP160_HIV2 Envelope glycoprotein gp160 -7.64 N/A N/A N/A N/A
2 Coumarinate GP_EBOV Envelope glycoprotein -5.36 -5.35 -5.89 10.92% CHEMBL3125895
Agapanthagenin GP_EBOV Envelope glycoprotein -7.22 -6.40 -7.02 25.00% CHEMBL112570
2 Coumarinate HA_A-H10N7 Hemagglutinin -4.97 N/A N/A N/A N/A
Agapanthagenin HA_A-H10N7 Hemagglutinin -7.83 N/A N/A N/A N/A
2 Coumarinate HA_A-H10N8 Hemagglutinin -5.11 N/A N/A N/A N/A
Agapanthagenin HA_A-H10N8 Hemagglutinin -7.53 N/A N/A N/A N/A
2 Coumarinate HA_A-H13N6 Hemagglutinin -5.53 N/A N/A N/A N/A
Agapanthagenin HA_A-H13N6 Hemagglutinin -7.18 N/A N/A N/A N/A
2 Coumarinate HA_A-H14N6 Hemagglutinin -5.50 N/A N/A N/A N/A
Agapanthagenin HA_A-H14N6 Hemagglutinin -7.30 N/A N/A N/A N/A
2 Coumarinate HA_A-H15N9 Hemagglutinin -5.33 N/A N/A N/A N/A
Agapanthagenin HA_A-H15N9 Hemagglutinin -8.01 N/A N/A N/A N/A
2 Coumarinate HA_A-H17N10 Hemagglutinin -4.34 N/A N/A N/A N/A
Agapanthagenin HA_A-H17N10 Hemagglutinin -7.52 N/A N/A N/A N/A
2 Coumarinate HA_A-H18N11 Hemagglutinin -4.51 N/A N/A N/A N/A
Agapanthagenin HA_A-H18N11 Hemagglutinin -6.48 N/A N/A N/A N/A
2 Coumarinate HA_A-H1N1 Hemagglutinin -5.47 -4.81 N/A N/A N/A
Agapanthagenin HA_A-H1N1 Hemagglutinin -6.87 -6.98 N/A N/A N/A
2 Coumarinate HA_A-H2N2 Hemagglutinin -5.23 -4.97 N/A N/A N/A
Agapanthagenin HA_A-H2N2 Hemagglutinin -7.33 -6.94 N/A N/A N/A
2 Coumarinate HA_A-H3N2 Hemagglutinin -5.10 -4.62 -4.56 N/A N/A
Agapanthagenin HA_A-H3N2 Hemagglutinin -7.21 -7.09 -7.17 N/A N/A
2 Coumarinate HA_A-H3N8 Hemagglutinin -4.97 -5.02 -5.02 N/A N/A
Agapanthagenin HA_A-H3N8 Hemagglutinin -6.94 -7.63 -7.58 N/A N/A
2 Coumarinate HA_A-H5N1 Hemagglutinin -5.70 -5.92 -5.43 N/A N/A
Agapanthagenin HA_A-H5N1 Hemagglutinin -6.97 -7.97 -7.65 N/A N/A
2 Coumarinate HA_A-H5N3 Hemagglutinin -5.44 -5.27 N/A N/A N/A
Agapanthagenin HA_A-H5N3 Hemagglutinin -7.39 -6.61 N/A N/A N/A
2 Coumarinate HA_A-H6N1 Hemagglutinin -5.11 N/A N/A N/A N/A
Agapanthagenin HA_A-H6N1 Hemagglutinin -7.53 N/A N/A N/A N/A
2 Coumarinate HA_A-H6N6 Hemagglutinin -5.00 N/A N/A N/A N/A
Agapanthagenin HA_A-H6N6 Hemagglutinin -7.35 N/A N/A N/A N/A
2 Coumarinate HA_A-H7N2 Hemagglutinin -5.37 -4.45 -4.99 N/A N/A
Agapanthagenin HA_A-H7N2 Hemagglutinin -7.49 -6.67 -7.22 N/A N/A
2 Coumarinate HA_A-H7N7 Hemagglutinin -4.95 -5.13 N/A N/A N/A
Agapanthagenin HA_A-H7N7 Hemagglutinin -6.75 -7.15 N/A N/A N/A
2 Coumarinate HA_A-H7N9 Hemagglutinin -4.78 N/A N/A N/A N/A
Agapanthagenin HA_A-H7N9 Hemagglutinin -8.35 N/A N/A N/A N/A
2 Coumarinate HA_INFB Hemagglutinin -4.94 -4.67 N/A N/A N/A
Agapanthagenin HA_INFB Hemagglutinin -7.93 -8.05 N/A N/A N/A
2 Coumarinate HA_INFD Hemagglutinin-esterase-fusion glycoprotein -4.52 N/A N/A N/A N/A
Agapanthagenin HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.89 N/A N/A N/A N/A
2 Coumarinate HE_BCV Hemagglutinin-esterase -6.62 -5.92 N/A N/A N/A
Agapanthagenin HE_BCV Hemagglutinin-esterase -6.99 -7.21 N/A N/A N/A
2 Coumarinate HE_HCoV-OC43 Hemagglutinin-esterase -4.53 N/A N/A N/A N/A
Agapanthagenin HE_HCoV-OC43 Hemagglutinin-esterase -6.99 N/A N/A N/A N/A
2 Coumarinate HE_MHV Hemagglutinin-esterase -4.68 N/A N/A N/A N/A
Agapanthagenin HE_MHV Hemagglutinin-esterase -7.46 N/A N/A N/A N/A
2 Coumarinate IN_HIV1 Gag-Pol polyprotein -4.72 -4.68 N/A N/A N/A
Agapanthagenin IN_HIV1 Gag-Pol polyprotein -6.56 -6.56 N/A N/A N/A
2 Coumarinate MD_HKU4 Replicase polyprotein 1ab -6.83 -6.52 -6.49 N/A N/A
Agapanthagenin MD_HKU4 Replicase polyprotein 1ab -6.93 -6.89 -6.95 N/A N/A
2 Coumarinate MD_MERs Replicase polyprotein 1a -6.87 -6.34 N/A N/A N/A
Agapanthagenin MD_MERs Replicase polyprotein 1a -7.73 -8.04 N/A N/A N/A
2 Coumarinate MTASE_SARS2 Methyltransferase -5.58 N/A N/A N/A N/A
2 Coumarinate MTASE_SARS2 Methyltransferase -5.37 N/A N/A N/A N/A
Agapanthagenin MTASE_SARS2 Methyltransferase -7.42 N/A N/A N/A N/A
Agapanthagenin MTASE_SARS2 Methyltransferase -8.10 N/A N/A N/A N/A
2 Coumarinate MX2_A-H5N1 Matrix protein 2 -6.66 N/A N/A N/A N/A
Agapanthagenin MX2_A-H5N1 Matrix protein 2 0.75 N/A N/A N/A N/A
2 Coumarinate NA_A-H11N6 Neuraminidase -6.16 -6.18 -5.88 N/A N/A
Agapanthagenin NA_A-H11N6 Neuraminidase -7.30 -7.17 -7.40 N/A N/A
2 Coumarinate NA_A-H11N9 Neuraminidase -5.51 -6.26 -5.84 N/A N/A
Agapanthagenin NA_A-H11N9 Neuraminidase -6.89 -8.01 -8.18 N/A N/A
2 Coumarinate NA_A-H12N5 Neuraminidase -6.58 -6.32 -6.23 N/A N/A
Agapanthagenin NA_A-H12N5 Neuraminidase -8.77 -7.46 -7.36 N/A N/A
2 Coumarinate NA_A-H13N9 Neuraminidase -5.08 N/A N/A N/A N/A
Agapanthagenin NA_A-H13N9 Neuraminidase -6.35 N/A N/A N/A N/A
2 Coumarinate NA_A-H17N10 Neuraminidase -5.26 N/A N/A N/A N/A
Agapanthagenin NA_A-H17N10 Neuraminidase -7.51 N/A N/A N/A N/A
2 Coumarinate NA_A-H18N11 Neuraminidase -4.73 N/A N/A N/A N/A
Agapanthagenin NA_A-H18N11 Neuraminidase -7.97 N/A N/A N/A N/A
2 Coumarinate NA_A-H1N1 Neuraminidase -6.79 N/A N/A N/A N/A
Agapanthagenin NA_A-H1N1 Neuraminidase -7.21 N/A N/A N/A N/A
2 Coumarinate NA_A-H2N2 Neuraminidase -5.95 -5.70 -6.06 N/A N/A
Agapanthagenin NA_A-H2N2 Neuraminidase -8.31 -8.59 -7.95 N/A N/A
2 Coumarinate NA_A-H3N2 Ig heavy chain Mem5 -4.96 -5.11 N/A N/A N/A
Agapanthagenin NA_A-H3N2 Ig heavy chain Mem5 -8.83 -8.05 N/A N/A N/A
2 Coumarinate NA_A-H3N8 Neuraminidase -5.52 -6.36 -5.84 N/A N/A
Agapanthagenin NA_A-H3N8 Neuraminidase -7.45 -8.70 -8.84 N/A N/A
2 Coumarinate NA_A-H5N1 Neuraminidase -6.05 N/A N/A N/A N/A
Agapanthagenin NA_A-H5N1 Neuraminidase -9.07 N/A N/A N/A N/A
2 Coumarinate NA_A-H7N9 Neuraminidase -5.71 -5.79 -5.89 N/A N/A
Agapanthagenin NA_A-H7N9 Neuraminidase -7.73 -7.55 -7.62 N/A N/A
2 Coumarinate NA_INFB Neuraminidase -5.77 -6.03 N/A 20.28% CHEMBL79499
Agapanthagenin NA_INFB Neuraminidase -7.51 -6.81 N/A 26.73% CHEMBL183817
2 Coumarinate NP_A-H1N1 Nucleoprotein -5.11 -5.73 -5.69 N/A N/A
Agapanthagenin NP_A-H1N1 Nucleoprotein -7.07 -6.31 -7.85 N/A N/A
2 Coumarinate NP_A-H5N1 Nucleoprotein -5.95 N/A N/A N/A N/A
Agapanthagenin NP_A-H5N1 Nucleoprotein -7.75 N/A N/A N/A N/A
2 Coumarinate NP_HCoV-NL63 Nucleoprotein -5.03 N/A N/A N/A N/A
Agapanthagenin NP_HCoV-NL63 Nucleoprotein -7.94 N/A N/A N/A N/A
2 Coumarinate NP_HCoV-OC43 Nucleoprotein -6.51 -6.59 -6.15 9.09% CHEMBL3233481
Agapanthagenin NP_HCoV-OC43 Nucleoprotein -7.68 -8.07 -7.80 3.00% CHEMBL3233481
2 Coumarinate NP_INFB Nucleoprotein -4.34 N/A N/A N/A N/A
Agapanthagenin NP_INFB Nucleoprotein -6.26 N/A N/A N/A N/A
2 Coumarinate NP_INFD NP -4.39 N/A N/A N/A N/A
Agapanthagenin NP_INFD NP -5.31 N/A N/A N/A N/A
2 Coumarinate NP_SARS Nucleoprotein -5.47 N/A N/A N/A N/A
Agapanthagenin NP_SARS Nucleoprotein -8.63 N/A N/A N/A N/A
2 Coumarinate NS3_HCV1A Genome polyprotein -5.35 -5.38 -6.08 21.30% CHEMBL4107993
Agapanthagenin NS3_HCV1A Genome polyprotein -7.48 -7.12 -7.43 15.94% CHEMBL3645746
2 Coumarinate NS3_HCV1B Genome polyprotein -6.00 -6.11 -5.56 14.93% CHEMBL1170408
Agapanthagenin NS3_HCV1B Genome polyprotein -7.50 -7.53 -7.32 13.29% CHEMBL3954962
2 Coumarinate NS3_HCV3A Genome polyprotein -5.92 -5.77 -5.60 N/A N/A
Agapanthagenin NS3_HCV3A Genome polyprotein -8.24 -7.84 -8.05 N/A N/A
2 Coumarinate NS5B_HCV1A Genome polyprotein -6.13 -6.52 -6.42 21.37% CHEMBL446360
Agapanthagenin NS5B_HCV1A Genome polyprotein -9.17 -9.42 -8.89 15.08% CHEMBL363650
2 Coumarinate NS5B_HCV1B Genome polyprotein -6.06 -6.72 -7.06 14.36% CHEMBL3645203
Agapanthagenin NS5B_HCV1B Genome polyprotein -8.10 -7.14 -7.49 14.67% CHEMBL3970609
2 Coumarinate NS5B_HCV2A Genome polyprotein -6.91 -6.87 N/A N/A N/A
Agapanthagenin NS5B_HCV2A Genome polyprotein -8.74 -7.01 N/A N/A N/A
2 Coumarinate NSP15_SARS Replicase polyprotein 1ab -4.77 N/A N/A 17.91% CHEMBL471187
Agapanthagenin NSP15_SARS Replicase polyprotein 1ab -7.18 N/A N/A 11.11% CHEMBL1092796
2 Coumarinate NSP15_SARS2 Replicase polyprotein 1ab -5.67 N/A N/A N/A N/A
Agapanthagenin NSP15_SARS2 Replicase polyprotein 1ab -7.05 N/A N/A N/A N/A
2 Coumarinate NSP1_INFB Non-structural protein 1 -4.34 -4.27 N/A N/A N/A
Agapanthagenin NSP1_INFB Non-structural protein 1 -7.11 -7.23 N/A N/A N/A
2 Coumarinate NSP1_SARS Replicase polyprotein 1ab -5.15 N/A N/A 17.91% CHEMBL471187
Agapanthagenin NSP1_SARS Replicase polyprotein 1ab -6.24 N/A N/A 11.11% CHEMBL1092796
2 Coumarinate NSP3_HCoV-229E Replicase polyprotein 1a -6.82 N/A N/A N/A N/A
Agapanthagenin NSP3_HCoV-229E Replicase polyprotein 1a -6.62 N/A N/A N/A N/A
2 Coumarinate NSP3_IBV Replicase polyprotein 1a -6.69 N/A N/A N/A N/A
Agapanthagenin NSP3_IBV Replicase polyprotein 1a -6.19 N/A N/A N/A N/A
2 Coumarinate NSP3_MHV Replicase polyprotein 1ab -5.82 N/A N/A N/A N/A
Agapanthagenin NSP3_MHV Replicase polyprotein 1ab -6.47 N/A N/A N/A N/A
2 Coumarinate NSP3_SARS2 Replicase polyprotein 1ab -5.80 N/A N/A N/A N/A
Agapanthagenin NSP3_SARS2 Replicase polyprotein 1ab -8.28 N/A N/A N/A N/A
2 Coumarinate NSP9_HCoV-229E Replicase polyprotein 1ab -5.76 -5.68 N/A N/A N/A
Agapanthagenin NSP9_HCoV-229E Replicase polyprotein 1ab -7.29 -6.04 N/A N/A N/A
2 Coumarinate PA_A-H17N10 Polymerase acidic protein -5.34 N/A N/A N/A N/A
Agapanthagenin PA_A-H17N10 Polymerase acidic protein -9.34 N/A N/A N/A N/A
2 Coumarinate PA_A-H1N1 Polymerase acidic protein -5.40 -5.88 -5.47 N/A N/A
Agapanthagenin PA_A-H1N1 Polymerase acidic protein -9.15 -8.61 -9.12 N/A N/A
2 Coumarinate PA_A-H5N1 Polymerase acidic protein -5.80 -5.39 -5.88 N/A N/A
Agapanthagenin PA_A-H5N1 Polymerase acidic protein -9.69 -9.06 -8.96 N/A N/A
2 Coumarinate PA_INFA Polymerase acidic protein -6.88 -5.33 -5.38 35.71% CHEMBL573638
Agapanthagenin PA_INFA Polymerase acidic protein -9.27 -9.29 -9.31 11.40% CHEMBL2040554
2 Coumarinate PA_INFB Polymerase acidic protein -5.33 N/A N/A N/A N/A
Agapanthagenin PA_INFB Polymerase acidic protein -8.84 N/A N/A N/A N/A
2 Coumarinate PB2_A-H3N2 Polymerase basic protein 2 -5.46 -5.79 N/A N/A N/A
Agapanthagenin PB2_A-H3N2 Polymerase basic protein 2 -8.38 -7.43 N/A N/A N/A
2 Coumarinate PB2_A-H5N1 Polymerase basic protein 2 -5.68 -5.98 -5.88 N/A N/A
Agapanthagenin PB2_A-H5N1 Polymerase basic protein 2 -7.55 -7.62 -8.13 N/A N/A
2 Coumarinate PB2_INFB Polymerase basic protein 2 -6.14 N/A N/A N/A N/A
Agapanthagenin PB2_INFB Polymerase basic protein 2 -8.32 N/A N/A N/A N/A
2 Coumarinate PB3_A-H3N2 Polymerase basic protein 2 -5.44 N/A N/A N/A N/A
Agapanthagenin PB3_A-H3N2 Polymerase basic protein 2 -7.46 N/A N/A N/A N/A
2 Coumarinate PB4_A-H3N2 Polymerase basic protein 2 -5.48 N/A N/A N/A N/A
Agapanthagenin PB4_A-H3N2 Polymerase basic protein 2 -8.89 N/A N/A N/A N/A
2 Coumarinate PLP_SARS Replicase polyprotein 1a -6.73 -6.83 -6.69 23.71% CHEMBL212454
Agapanthagenin PLP_SARS Replicase polyprotein 1a -8.00 -7.96 -8.17 11.35% CHEMBL213054
2 Coumarinate PLP_SARS2 papain-like protease -5.35 N/A N/A N/A N/A
Agapanthagenin PLP_SARS2 papain-like protease -7.55 N/A N/A N/A N/A
2 Coumarinate PR_FCoV Replicase polyprotein 1ab -4.91 N/A N/A N/A N/A
Agapanthagenin PR_FCoV Replicase polyprotein 1ab -8.50 N/A N/A N/A N/A
2 Coumarinate PR_HCoV-229E Replicase polyprotein 1a -4.93 -4.89 N/A N/A N/A
Agapanthagenin PR_HCoV-229E Replicase polyprotein 1a -8.40 -8.53 N/A N/A N/A
2 Coumarinate PR_HCoV-NL63 Replicase polyprotein 1a -4.41 -5.33 N/A N/A N/A
Agapanthagenin PR_HCoV-NL63 Replicase polyprotein 1a -5.17 -8.72 N/A N/A N/A
2 Coumarinate PR_HIV1 Gag-Pol polyprotein -4.83 -5.09 -5.25 13.71% CHEMBL3645124
Agapanthagenin PR_HIV1 Gag-Pol polyprotein -9.14 -8.04 -9.29 18.63% CHEMBL3645129
2 Coumarinate PR_HIV2 Gag-Pol polyprotein -5.96 -4.73 N/A N/A N/A
Agapanthagenin PR_HIV2 Gag-Pol polyprotein -10.76 -6.66 N/A N/A N/A
2 Coumarinate PR_HKU1 Replicase polyprotein 1a -5.12 N/A N/A N/A N/A
Agapanthagenin PR_HKU1 Replicase polyprotein 1a -6.48 N/A N/A N/A N/A
2 Coumarinate PR_HKU4 Replicase polyprotein 1ab -4.99 -5.49 -5.32 N/A N/A
Agapanthagenin PR_HKU4 Replicase polyprotein 1ab -7.67 -6.83 -7.07 N/A N/A
2 Coumarinate PR_IBV Replicase polyprotein 1a -5.04 N/A N/A N/A N/A
Agapanthagenin PR_IBV Replicase polyprotein 1a -6.99 N/A N/A N/A N/A
2 Coumarinate PR_MERs 3C-like proteinase -5.75 -5.73 N/A N/A N/A
Agapanthagenin PR_MERs 3C-like proteinase -6.15 -8.64 N/A N/A N/A
2 Coumarinate PR_PEDV 3C-like proteinase -5.16 N/A N/A N/A N/A
Agapanthagenin PR_PEDV 3C-like proteinase -8.97 N/A N/A N/A N/A
2 Coumarinate PR_SARS Replicase polyprotein 1ab -5.12 -5.58 -4.93 17.91% CHEMBL471187
Agapanthagenin PR_SARS Replicase polyprotein 1ab -7.28 -6.91 -7.43 11.11% CHEMBL1092796
2 Coumarinate PR_SARS2 3C-like protease -5.20 N/A N/A N/A N/A
Agapanthagenin PR_SARS2 3C-like protease -6.88 N/A N/A N/A N/A
2 Coumarinate PR_TGEV Replicase polyprotein 1a -5.22 N/A N/A N/A N/A
Agapanthagenin PR_TGEV Replicase polyprotein 1a -8.11 N/A N/A N/A N/A
2 Coumarinate RDRP_SARS2 RNA-dependent RNA polymerase -5.74 N/A N/A 10.22% CHEMBL4065616
Agapanthagenin RDRP_SARS2 RNA-dependent RNA polymerase -8.54 N/A N/A 8.79% CHEMBL4065616
2 Coumarinate RT_HIV1 Gag-Pol polyprotein -6.81 -6.87 -7.08 29.47% CHEMBL3775172
Agapanthagenin RT_HIV1 Gag-Pol polyprotein -6.71 -6.74 -6.98 40.98% CHEMBL404519
2 Coumarinate SPIKE_HCoV-229E Spike glycoprotein -4.19 N/A N/A N/A N/A
Agapanthagenin SPIKE_HCoV-229E Spike glycoprotein -5.38 N/A N/A N/A N/A
2 Coumarinate SPIKE_HCoV-NL63 Spike glycoprotein -4.46 N/A N/A N/A N/A
Agapanthagenin SPIKE_HCoV-NL63 Spike glycoprotein -6.85 N/A N/A N/A N/A
2 Coumarinate SPIKE_HCoV-OC43 Spike glycoprotein -5.54 N/A N/A N/A N/A
Agapanthagenin SPIKE_HCoV-OC43 Spike glycoprotein -7.40 N/A N/A N/A N/A
2 Coumarinate SPIKE_HKU4 Spike glycoprotein -5.66 N/A N/A N/A N/A
Agapanthagenin SPIKE_HKU4 Spike glycoprotein -8.07 N/A N/A N/A N/A
2 Coumarinate SPIKE_IBV Spike glycoprotein -5.35 N/A N/A N/A N/A
Agapanthagenin SPIKE_IBV Spike glycoprotein -6.25 N/A N/A N/A N/A
2 Coumarinate SPIKE_MERs Spike glycoprotein -5.39 -5.42 -4.62 N/A N/A
Agapanthagenin SPIKE_MERs Spike glycoprotein -7.49 -6.44 -5.91 N/A N/A
2 Coumarinate SPIKE_MHV Spike glycoprotein -5.51 N/A N/A N/A N/A
Agapanthagenin SPIKE_MHV Spike glycoprotein -7.83 N/A N/A N/A N/A
2 Coumarinate SPIKE_PDCoV Spike protein -5.25 N/A N/A N/A N/A
Agapanthagenin SPIKE_PDCoV Spike protein -6.28 N/A N/A N/A N/A
2 Coumarinate SPIKE_SARS Spike glycoprotein -4.92 -5.68 N/A N/A N/A
Agapanthagenin SPIKE_SARS Spike glycoprotein -6.94 -7.56 N/A N/A N/A
2 Coumarinate SPIKE_SARS2 Spike glycoprotein -4.71 -4.91 -4.63 N/A N/A
Agapanthagenin SPIKE_SARS2 Spike glycoprotein -6.26 -6.98 -6.95 N/A N/A