12121 #358 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
3 ACE2_HUMAN angiotensin converting enzyme 2 -7.67 N/A N/A 7.55% CHEMBL401086
2 ACE2_HUMAN angiotensin converting enzyme 2 -7.38 N/A N/A 27.10% CHEMBL398545
3 GP160_HIV1 Envelope glycoprotein gp160 -5.21 -5.47 -5.43 N/A N/A
2 GP160_HIV1 Envelope glycoprotein gp160 -5.29 -5.74 -5.20 N/A N/A
3 GP160_HIV2 Envelope glycoprotein gp160 -6.13 N/A N/A N/A N/A
2 GP160_HIV2 Envelope glycoprotein gp160 -6.07 N/A N/A N/A N/A
3 GP_EBOV Envelope glycoprotein -6.43 -7.47 -7.58 21.88% CHEMBL112570
2 GP_EBOV Envelope glycoprotein -6.77 -6.74 -7.35 14.75% CHEMBL112570
3 HA_A-H10N7 Hemagglutinin -6.04 N/A N/A N/A N/A
2 HA_A-H10N7 Hemagglutinin -6.03 N/A N/A N/A N/A
3 HA_A-H10N8 Hemagglutinin -5.92 N/A N/A N/A N/A
2 HA_A-H10N8 Hemagglutinin -5.77 N/A N/A N/A N/A
3 HA_A-H13N6 Hemagglutinin -5.60 N/A N/A N/A N/A
2 HA_A-H13N6 Hemagglutinin -5.98 N/A N/A N/A N/A
3 HA_A-H14N6 Hemagglutinin -5.83 N/A N/A N/A N/A
2 HA_A-H14N6 Hemagglutinin -5.59 N/A N/A N/A N/A
3 HA_A-H15N9 Hemagglutinin -5.76 N/A N/A N/A N/A
2 HA_A-H15N9 Hemagglutinin -5.67 N/A N/A N/A N/A
3 HA_A-H17N10 Hemagglutinin -5.19 N/A N/A N/A N/A
2 HA_A-H17N10 Hemagglutinin -4.77 N/A N/A N/A N/A
3 HA_A-H18N11 Hemagglutinin -4.65 N/A N/A N/A N/A
2 HA_A-H18N11 Hemagglutinin -4.78 N/A N/A N/A N/A
3 HA_A-H1N1 Hemagglutinin -5.58 -5.41 N/A N/A N/A
2 HA_A-H1N1 Hemagglutinin -5.96 -5.43 N/A N/A N/A
3 HA_A-H2N2 Hemagglutinin -5.58 -5.41 N/A N/A N/A
2 HA_A-H2N2 Hemagglutinin -5.11 -5.21 N/A N/A N/A
3 HA_A-H3N2 Hemagglutinin -6.04 -5.98 -5.33 N/A N/A
2 HA_A-H3N2 Hemagglutinin -6.07 -5.97 -5.46 N/A N/A
3 HA_A-H3N8 Hemagglutinin -5.35 -5.35 -5.38 N/A N/A
2 HA_A-H3N8 Hemagglutinin -5.16 -5.74 -5.63 N/A N/A
3 HA_A-H5N1 Hemagglutinin -5.89 -6.07 -5.70 N/A N/A
2 HA_A-H5N1 Hemagglutinin -6.30 -5.77 -6.60 N/A N/A
3 HA_A-H5N3 Hemagglutinin -6.15 -5.47 N/A N/A N/A
2 HA_A-H5N3 Hemagglutinin -6.37 -6.01 N/A N/A N/A
3 HA_A-H6N1 Hemagglutinin -5.92 N/A N/A N/A N/A
2 HA_A-H6N1 Hemagglutinin -5.77 N/A N/A N/A N/A
3 HA_A-H6N6 Hemagglutinin -5.38 N/A N/A N/A N/A
2 HA_A-H6N6 Hemagglutinin -5.62 N/A N/A N/A N/A
3 HA_A-H7N2 Hemagglutinin -5.84 -5.09 -5.43 N/A N/A
2 HA_A-H7N2 Hemagglutinin -5.78 -5.43 -5.68 N/A N/A
3 HA_A-H7N7 Hemagglutinin -5.71 -5.58 N/A N/A N/A
2 HA_A-H7N7 Hemagglutinin -5.66 -5.51 N/A N/A N/A
3 HA_A-H7N9 Hemagglutinin -6.10 N/A N/A N/A N/A
2 HA_A-H7N9 Hemagglutinin -5.85 N/A N/A N/A N/A
3 HA_INFB Hemagglutinin -5.76 -5.74 N/A N/A N/A
2 HA_INFB Hemagglutinin -5.68 -5.38 N/A N/A N/A
3 HA_INFD Hemagglutinin-esterase-fusion glycoprotein -5.49 N/A N/A N/A N/A
2 HA_INFD Hemagglutinin-esterase-fusion glycoprotein -5.48 N/A N/A N/A N/A
3 HE_BCV Hemagglutinin-esterase -6.06 -5.75 N/A N/A N/A
2 HE_BCV Hemagglutinin-esterase -6.20 -5.97 N/A N/A N/A
3 HE_HCoV-OC43 Hemagglutinin-esterase -6.41 N/A N/A N/A N/A
2 HE_HCoV-OC43 Hemagglutinin-esterase -6.32 N/A N/A N/A N/A
3 HE_MHV Hemagglutinin-esterase -5.84 N/A N/A N/A N/A
2 HE_MHV Hemagglutinin-esterase -6.02 N/A N/A N/A N/A
3 IN_HIV1 Gag-Pol polyprotein -5.06 -5.12 N/A N/A N/A
2 IN_HIV1 Gag-Pol polyprotein -5.30 -5.46 N/A N/A N/A
3 MD_HKU4 Replicase polyprotein 1ab -7.22 -6.91 -6.91 N/A N/A
2 MD_HKU4 Replicase polyprotein 1ab -7.26 -6.93 -7.03 N/A N/A
3 MD_MERs Replicase polyprotein 1a -7.50 -6.81 N/A N/A N/A
2 MD_MERs Replicase polyprotein 1a -7.00 -7.16 N/A N/A N/A
3 MTASE_SARS2 Methyltransferase -5.55 N/A N/A N/A N/A
3 MTASE_SARS2 Methyltransferase -6.56 N/A N/A N/A N/A
2 MTASE_SARS2 Methyltransferase -6.73 N/A N/A N/A N/A
2 MTASE_SARS2 Methyltransferase -6.86 N/A N/A N/A N/A
3 MX2_A-H5N1 Matrix protein 2 -8.29 N/A N/A N/A N/A
2 MX2_A-H5N1 Matrix protein 2 -8.09 N/A N/A N/A N/A
3 NA_A-H11N6 Neuraminidase -6.57 -6.78 -6.47 N/A N/A
2 NA_A-H11N6 Neuraminidase -6.84 -7.08 -6.61 N/A N/A
3 NA_A-H11N9 Neuraminidase -6.16 -6.88 -7.02 N/A N/A
2 NA_A-H11N9 Neuraminidase -6.21 -7.13 -6.85 N/A N/A
3 NA_A-H12N5 Neuraminidase -6.09 -6.86 -6.76 N/A N/A
2 NA_A-H12N5 Neuraminidase -6.76 -6.91 -6.86 N/A N/A
3 NA_A-H13N9 Neuraminidase -5.71 N/A N/A N/A N/A
2 NA_A-H13N9 Neuraminidase -5.93 N/A N/A N/A N/A
3 NA_A-H17N10 Neuraminidase -6.01 N/A N/A N/A N/A
2 NA_A-H17N10 Neuraminidase -5.74 N/A N/A N/A N/A
3 NA_A-H18N11 Neuraminidase -6.07 N/A N/A N/A N/A
2 NA_A-H18N11 Neuraminidase -5.81 N/A N/A N/A N/A
3 NA_A-H1N1 Neuraminidase -6.71 N/A N/A N/A N/A
2 NA_A-H1N1 Neuraminidase -6.79 N/A N/A N/A N/A
3 NA_A-H2N2 Neuraminidase -6.54 -6.99 -6.12 N/A N/A
2 NA_A-H2N2 Neuraminidase -7.25 -6.32 -6.57 N/A N/A
3 NA_A-H3N2 Ig heavy chain Mem5 -6.41 -6.47 N/A N/A N/A
2 NA_A-H3N2 Ig heavy chain Mem5 -5.94 -5.81 N/A N/A N/A
3 NA_A-H3N8 Neuraminidase -6.66 -7.01 -6.33 N/A N/A
2 NA_A-H3N8 Neuraminidase -6.39 -6.73 -6.62 N/A N/A
3 NA_A-H5N1 Neuraminidase -6.80 N/A N/A N/A N/A
2 NA_A-H5N1 Neuraminidase -6.72 N/A N/A N/A N/A
3 NA_A-H7N9 Neuraminidase -6.64 -6.67 -6.66 N/A N/A
2 NA_A-H7N9 Neuraminidase -6.50 -6.36 -6.89 N/A N/A
3 NA_INFB Neuraminidase -6.55 -6.35 N/A 10.94% CHEMBL335808
2 NA_INFB Neuraminidase -6.75 -6.64 N/A 21.90% CHEMBL79499
3 NP_A-H1N1 Nucleoprotein -6.55 -6.64 -5.82 N/A N/A
2 NP_A-H1N1 Nucleoprotein -6.78 -6.86 -6.09 N/A N/A
3 NP_A-H5N1 Nucleoprotein -6.94 N/A N/A N/A N/A
2 NP_A-H5N1 Nucleoprotein -7.17 N/A N/A N/A N/A
3 NP_HCoV-NL63 Nucleoprotein -5.33 N/A N/A N/A N/A
2 NP_HCoV-NL63 Nucleoprotein -5.21 N/A N/A N/A N/A
3 NP_HCoV-OC43 Nucleoprotein -8.41 -6.43 -6.19 1.41% CHEMBL3233481
2 NP_HCoV-OC43 Nucleoprotein -8.24 -7.69 -7.01 8.42% CHEMBL3233481
3 NP_INFB Nucleoprotein -4.69 N/A N/A N/A N/A
2 NP_INFB Nucleoprotein -4.69 N/A N/A N/A N/A
3 NP_INFD NP -5.18 N/A N/A N/A N/A
2 NP_INFD NP -5.44 N/A N/A N/A N/A
3 NP_SARS Nucleoprotein -6.22 N/A N/A N/A N/A
2 NP_SARS Nucleoprotein -6.78 N/A N/A N/A N/A
3 NS3_HCV1A Genome polyprotein -6.42 -5.82 -6.23 8.22% CHEMBL296588
2 NS3_HCV1A Genome polyprotein -6.15 -6.45 -7.29 36.59% CHEMBL4107728
3 NS3_HCV1B Genome polyprotein -6.33 -6.13 -5.76 7.32% CHEMBL3921185
2 NS3_HCV1B Genome polyprotein -6.28 -6.36 -6.28 12.00% CHEMBL3954962
3 NS3_HCV3A Genome polyprotein -6.12 -6.24 -6.45 N/A N/A
2 NS3_HCV3A Genome polyprotein -6.57 -6.73 -6.44 N/A N/A
3 NS5B_HCV1A Genome polyprotein -6.78 -7.81 -8.27 7.69% CHEMBL320324
2 NS5B_HCV1A Genome polyprotein -6.53 -8.13 -7.86 30.85% CHEMBL367415
3 NS5B_HCV1B Genome polyprotein -7.79 -6.49 -6.17 3.72% CHEMBL3645202
2 NS5B_HCV1B Genome polyprotein -8.01 -6.98 -6.83 16.35% CHEMBL213832
3 NS5B_HCV2A Genome polyprotein -8.41 -8.03 N/A N/A N/A
2 NS5B_HCV2A Genome polyprotein -8.27 -8.01 N/A N/A N/A
3 NSP15_SARS Replicase polyprotein 1ab -5.27 N/A N/A 9.52% CHEMBL1092796
2 NSP15_SARS Replicase polyprotein 1ab -5.66 N/A N/A 19.69% CHEMBL2441741
3 NSP15_SARS2 Replicase polyprotein 1ab -5.92 N/A N/A N/A N/A
2 NSP15_SARS2 Replicase polyprotein 1ab -5.83 N/A N/A N/A N/A
3 NSP1_INFB Non-structural protein 1 -6.36 -6.00 N/A N/A N/A
2 NSP1_INFB Non-structural protein 1 -5.76 -5.48 N/A N/A N/A
3 NSP1_SARS Replicase polyprotein 1ab -4.91 N/A N/A 9.52% CHEMBL1092796
2 NSP1_SARS Replicase polyprotein 1ab -5.30 N/A N/A 19.69% CHEMBL2441741
3 NSP3_HCoV-229E Replicase polyprotein 1a -8.58 N/A N/A N/A N/A
2 NSP3_HCoV-229E Replicase polyprotein 1a -8.06 N/A N/A N/A N/A
3 NSP3_IBV Replicase polyprotein 1a -7.18 N/A N/A N/A N/A
2 NSP3_IBV Replicase polyprotein 1a -7.39 N/A N/A N/A N/A
3 NSP3_MHV Replicase polyprotein 1ab -6.97 N/A N/A N/A N/A
2 NSP3_MHV Replicase polyprotein 1ab -6.54 N/A N/A N/A N/A
3 NSP3_SARS2 Replicase polyprotein 1ab -7.16 N/A N/A N/A N/A
2 NSP3_SARS2 Replicase polyprotein 1ab -6.69 N/A N/A N/A N/A
3 NSP9_HCoV-229E Replicase polyprotein 1ab -8.22 -6.61 N/A N/A N/A
2 NSP9_HCoV-229E Replicase polyprotein 1ab -7.33 -6.53 N/A N/A N/A
3 PA_A-H17N10 Polymerase acidic protein -6.12 N/A N/A N/A N/A
2 PA_A-H17N10 Polymerase acidic protein -5.71 N/A N/A N/A N/A
3 PA_A-H1N1 Polymerase acidic protein -6.28 -6.75 -6.38 N/A N/A
2 PA_A-H1N1 Polymerase acidic protein -6.57 -7.06 -6.63 N/A N/A
3 PA_A-H5N1 Polymerase acidic protein -6.58 -6.21 -6.25 N/A N/A
2 PA_A-H5N1 Polymerase acidic protein -6.46 -6.38 -6.69 N/A N/A
3 PA_INFA Polymerase acidic protein -7.51 -6.91 -5.98 6.67% CHEMBL2040554
2 PA_INFA Polymerase acidic protein -8.74 -6.06 -5.69 28.28% CHEMBL2040554
3 PA_INFB Polymerase acidic protein -6.53 N/A N/A N/A N/A
2 PA_INFB Polymerase acidic protein -6.18 N/A N/A N/A N/A
3 PB2_A-H3N2 Polymerase basic protein 2 -7.26 -7.99 N/A N/A N/A
2 PB2_A-H3N2 Polymerase basic protein 2 -7.58 -7.85 N/A N/A N/A
3 PB2_A-H5N1 Polymerase basic protein 2 -7.15 -6.87 -7.44 N/A N/A
2 PB2_A-H5N1 Polymerase basic protein 2 -7.46 -7.20 -7.36 N/A N/A
3 PB2_INFB Polymerase basic protein 2 -7.68 N/A N/A N/A N/A
2 PB2_INFB Polymerase basic protein 2 -7.24 N/A N/A N/A N/A
3 PB3_A-H3N2 Polymerase basic protein 2 -7.83 N/A N/A N/A N/A
2 PB3_A-H3N2 Polymerase basic protein 2 -7.75 N/A N/A N/A N/A
3 PB4_A-H3N2 Polymerase basic protein 2 -7.36 N/A N/A N/A N/A
2 PB4_A-H3N2 Polymerase basic protein 2 -7.52 N/A N/A N/A N/A
3 PLP_SARS Replicase polyprotein 1a -7.81 -7.88 -7.49 5.00% CHEMBL213054
2 PLP_SARS Replicase polyprotein 1a -7.82 -8.25 -7.46 15.62% CHEMBL358279
3 PLP_SARS2 papain-like protease -5.22 N/A N/A N/A N/A
2 PLP_SARS2 papain-like protease -5.08 N/A N/A N/A N/A
3 PR_FCoV Replicase polyprotein 1ab -5.99 N/A N/A N/A N/A
2 PR_FCoV Replicase polyprotein 1ab -6.11 N/A N/A N/A N/A
3 PR_HCoV-229E Replicase polyprotein 1a -5.79 -5.66 N/A N/A N/A
2 PR_HCoV-229E Replicase polyprotein 1a -5.95 -5.50 N/A N/A N/A
3 PR_HCoV-NL63 Replicase polyprotein 1a -4.33 -6.38 N/A N/A N/A
2 PR_HCoV-NL63 Replicase polyprotein 1a -4.98 -6.23 N/A N/A N/A
3 PR_HIV1 Gag-Pol polyprotein -6.22 -5.79 -6.87 4.93% CHEMBL492666
2 PR_HIV1 Gag-Pol polyprotein -6.11 -6.21 -6.09 19.21% CHEMBL492666
3 PR_HIV2 Gag-Pol polyprotein -6.78 -5.94 N/A N/A N/A
2 PR_HIV2 Gag-Pol polyprotein -7.32 -5.91 N/A N/A N/A
3 PR_HKU1 Replicase polyprotein 1a -5.39 N/A N/A N/A N/A
2 PR_HKU1 Replicase polyprotein 1a -5.36 N/A N/A N/A N/A
3 PR_HKU4 Replicase polyprotein 1ab -5.87 -6.55 -6.47 N/A N/A
2 PR_HKU4 Replicase polyprotein 1ab -5.76 -6.38 -6.30 N/A N/A
3 PR_IBV Replicase polyprotein 1a -6.12 N/A N/A N/A N/A
2 PR_IBV Replicase polyprotein 1a -6.37 N/A N/A N/A N/A
3 PR_MERs 3C-like proteinase -6.43 -5.76 N/A N/A N/A
2 PR_MERs 3C-like proteinase -6.39 -6.12 N/A N/A N/A
3 PR_PEDV 3C-like proteinase -6.32 N/A N/A N/A N/A
2 PR_PEDV 3C-like proteinase -6.27 N/A N/A N/A N/A
3 PR_SARS Replicase polyprotein 1ab -5.40 -5.46 -6.29 9.52% CHEMBL1092796
2 PR_SARS Replicase polyprotein 1ab -5.63 -5.41 -6.28 19.69% CHEMBL2441741
3 PR_SARS2 3C-like protease -5.77 N/A N/A N/A N/A
2 PR_SARS2 3C-like protease -5.92 N/A N/A N/A N/A
3 PR_TGEV Replicase polyprotein 1a -6.31 N/A N/A N/A N/A
2 PR_TGEV Replicase polyprotein 1a -6.22 N/A N/A N/A N/A
3 RDRP_SARS2 RNA-dependent RNA polymerase -5.48 N/A N/A 1.92% CHEMBL4065616
2 RDRP_SARS2 RNA-dependent RNA polymerase -5.61 N/A N/A 10.82% CHEMBL4065616
3 RT_HIV1 Gag-Pol polyprotein -10.65 -10.31 -10.04 14.58% CHEMBL404519
2 RT_HIV1 Gag-Pol polyprotein -9.64 -9.99 -9.68 34.09% CHEMBL3775172
3 SPIKE_HCoV-229E Spike glycoprotein -4.93 N/A N/A N/A N/A
2 SPIKE_HCoV-229E Spike glycoprotein -5.05 N/A N/A N/A N/A
3 SPIKE_HCoV-NL63 Spike glycoprotein -5.62 N/A N/A N/A N/A
2 SPIKE_HCoV-NL63 Spike glycoprotein -5.44 N/A N/A N/A N/A
3 SPIKE_HCoV-OC43 Spike glycoprotein -5.44 N/A N/A N/A N/A
2 SPIKE_HCoV-OC43 Spike glycoprotein -5.55 N/A N/A N/A N/A
3 SPIKE_HKU4 Spike glycoprotein -5.83 N/A N/A N/A N/A
2 SPIKE_HKU4 Spike glycoprotein -5.81 N/A N/A N/A N/A
3 SPIKE_IBV Spike glycoprotein -5.52 N/A N/A N/A N/A
2 SPIKE_IBV Spike glycoprotein -5.68 N/A N/A N/A N/A
3 SPIKE_MERs Spike glycoprotein -6.51 -5.80 -4.91 N/A N/A
2 SPIKE_MERs Spike glycoprotein -5.94 -5.64 -5.06 N/A N/A
3 SPIKE_MHV Spike glycoprotein -6.71 N/A N/A N/A N/A
2 SPIKE_MHV Spike glycoprotein -6.46 N/A N/A N/A N/A
3 SPIKE_PDCoV Spike protein -5.63 N/A N/A N/A N/A
2 SPIKE_PDCoV Spike protein -5.64 N/A N/A N/A N/A
3 SPIKE_SARS Spike glycoprotein -5.34 -6.39 N/A N/A N/A
2 SPIKE_SARS Spike glycoprotein -5.50 -6.80 N/A N/A N/A
3 SPIKE_SARS2 Spike glycoprotein -4.96 -5.58 -6.22 N/A N/A
2 SPIKE_SARS2 Spike glycoprotein -5.43 -5.73 -6.47 N/A N/A