CB2_compounds #193 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
WIN55212-2 ACE2_HUMAN angiotensin converting enzyme 2 -11.29 N/A N/A 35.82% CHEMBL1240682
PY1-61 ACE2_HUMAN angiotensin converting enzyme 2 -9.92 N/A N/A 36.97% CHEMBL437595
PY2-64 ACE2_HUMAN angiotensin converting enzyme 2 -9.17 N/A N/A 23.49% CHEMBL251804
WIN55212-2 GP160_HIV1 Envelope glycoprotein gp160 -6.99 -7.52 -7.01 N/A N/A
PY1-61 GP160_HIV1 Envelope glycoprotein gp160 -7.21 -7.11 -7.63 N/A N/A
PY2-64 GP160_HIV1 Envelope glycoprotein gp160 -6.64 -7.09 -6.52 N/A N/A
WIN55212-2 GP160_HIV2 Envelope glycoprotein gp160 -8.05 N/A N/A N/A N/A
PY1-61 GP160_HIV2 Envelope glycoprotein gp160 -6.92 N/A N/A N/A N/A
PY2-64 GP160_HIV2 Envelope glycoprotein gp160 -6.00 N/A N/A N/A N/A
WIN55212-2 GP_EBOV Envelope glycoprotein -8.83 -8.67 -9.02 35.07% CHEMBL3125895
PY1-61 GP_EBOV Envelope glycoprotein -8.12 -7.79 -8.61 21.72% CHEMBL3125895
PY2-64 GP_EBOV Envelope glycoprotein -8.54 -7.20 -7.27 17.71% CHEMBL3125895
WIN55212-2 HA_A-H10N7 Hemagglutinin -8.37 N/A N/A N/A N/A
PY1-61 HA_A-H10N7 Hemagglutinin -6.69 N/A N/A N/A N/A
PY2-64 HA_A-H10N7 Hemagglutinin -6.42 N/A N/A N/A N/A
WIN55212-2 HA_A-H10N8 Hemagglutinin -7.64 N/A N/A N/A N/A
PY1-61 HA_A-H10N8 Hemagglutinin -6.27 N/A N/A N/A N/A
PY2-64 HA_A-H10N8 Hemagglutinin -6.43 N/A N/A N/A N/A
WIN55212-2 HA_A-H13N6 Hemagglutinin -7.71 N/A N/A N/A N/A
PY1-61 HA_A-H13N6 Hemagglutinin -6.61 N/A N/A N/A N/A
PY2-64 HA_A-H13N6 Hemagglutinin -6.18 N/A N/A N/A N/A
WIN55212-2 HA_A-H14N6 Hemagglutinin -7.63 N/A N/A N/A N/A
PY1-61 HA_A-H14N6 Hemagglutinin -7.58 N/A N/A N/A N/A
PY2-64 HA_A-H14N6 Hemagglutinin -6.78 N/A N/A N/A N/A
WIN55212-2 HA_A-H15N9 Hemagglutinin -7.98 N/A N/A N/A N/A
PY1-61 HA_A-H15N9 Hemagglutinin -6.59 N/A N/A N/A N/A
PY2-64 HA_A-H15N9 Hemagglutinin -6.74 N/A N/A N/A N/A
WIN55212-2 HA_A-H17N10 Hemagglutinin -7.10 N/A N/A N/A N/A
PY1-61 HA_A-H17N10 Hemagglutinin -6.00 N/A N/A N/A N/A
PY2-64 HA_A-H17N10 Hemagglutinin -6.11 N/A N/A N/A N/A
WIN55212-2 HA_A-H18N11 Hemagglutinin -6.55 N/A N/A N/A N/A
PY1-61 HA_A-H18N11 Hemagglutinin -5.57 N/A N/A N/A N/A
PY2-64 HA_A-H18N11 Hemagglutinin -6.06 N/A N/A N/A N/A
WIN55212-2 HA_A-H1N1 Hemagglutinin -7.42 -7.54 N/A N/A N/A
PY1-61 HA_A-H1N1 Hemagglutinin -7.22 -6.90 N/A N/A N/A
PY2-64 HA_A-H1N1 Hemagglutinin -6.52 -5.67 N/A N/A N/A
WIN55212-2 HA_A-H2N2 Hemagglutinin -7.46 -7.33 N/A N/A N/A
PY1-61 HA_A-H2N2 Hemagglutinin -6.38 -6.10 N/A N/A N/A
PY2-64 HA_A-H2N2 Hemagglutinin -6.41 -5.88 N/A N/A N/A
WIN55212-2 HA_A-H3N2 Hemagglutinin -7.98 -7.51 -7.65 N/A N/A
PY1-61 HA_A-H3N2 Hemagglutinin -6.60 -5.77 -6.54 N/A N/A
PY2-64 HA_A-H3N2 Hemagglutinin -6.42 -6.35 -6.49 N/A N/A
WIN55212-2 HA_A-H3N8 Hemagglutinin -7.67 -7.63 -7.86 N/A N/A
PY1-61 HA_A-H3N8 Hemagglutinin -6.28 -6.25 -6.61 N/A N/A
PY2-64 HA_A-H3N8 Hemagglutinin -5.58 -5.65 -5.48 N/A N/A
WIN55212-2 HA_A-H5N1 Hemagglutinin -7.86 -7.36 -7.37 N/A N/A
PY1-61 HA_A-H5N1 Hemagglutinin -6.69 -6.72 -6.43 N/A N/A
PY2-64 HA_A-H5N1 Hemagglutinin -5.62 -6.72 -6.59 N/A N/A
WIN55212-2 HA_A-H5N3 Hemagglutinin -7.77 -7.34 N/A N/A N/A
PY1-61 HA_A-H5N3 Hemagglutinin -6.17 -6.02 N/A N/A N/A
PY2-64 HA_A-H5N3 Hemagglutinin -6.59 -5.57 N/A N/A N/A
WIN55212-2 HA_A-H6N1 Hemagglutinin -7.64 N/A N/A N/A N/A
PY1-61 HA_A-H6N1 Hemagglutinin -6.27 N/A N/A N/A N/A
PY2-64 HA_A-H6N1 Hemagglutinin -6.43 N/A N/A N/A N/A
WIN55212-2 HA_A-H6N6 Hemagglutinin -7.59 N/A N/A N/A N/A
PY1-61 HA_A-H6N6 Hemagglutinin -6.93 N/A N/A N/A N/A
PY2-64 HA_A-H6N6 Hemagglutinin -5.78 N/A N/A N/A N/A
WIN55212-2 HA_A-H7N2 Hemagglutinin -7.71 -6.85 -7.60 N/A N/A
PY1-61 HA_A-H7N2 Hemagglutinin -6.42 -5.54 -5.42 N/A N/A
PY2-64 HA_A-H7N2 Hemagglutinin -6.23 -5.69 -6.00 N/A N/A
WIN55212-2 HA_A-H7N7 Hemagglutinin -6.72 -7.73 N/A N/A N/A
PY1-61 HA_A-H7N7 Hemagglutinin -5.40 -6.22 N/A N/A N/A
PY2-64 HA_A-H7N7 Hemagglutinin -5.06 -6.28 N/A N/A N/A
WIN55212-2 HA_A-H7N9 Hemagglutinin -7.68 N/A N/A N/A N/A
PY1-61 HA_A-H7N9 Hemagglutinin -7.21 N/A N/A N/A N/A
PY2-64 HA_A-H7N9 Hemagglutinin -6.70 N/A N/A N/A N/A
WIN55212-2 HA_INFB Hemagglutinin -8.00 -7.41 N/A N/A N/A
PY1-61 HA_INFB Hemagglutinin -6.78 -6.48 N/A N/A N/A
PY2-64 HA_INFB Hemagglutinin -6.53 -6.13 N/A N/A N/A
WIN55212-2 HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.96 N/A N/A N/A N/A
PY1-61 HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.72 N/A N/A N/A N/A
PY2-64 HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.20 N/A N/A N/A N/A
WIN55212-2 HE_BCV Hemagglutinin-esterase -8.29 -7.64 N/A N/A N/A
PY1-61 HE_BCV Hemagglutinin-esterase -7.12 -6.57 N/A N/A N/A
PY2-64 HE_BCV Hemagglutinin-esterase -5.48 -5.96 N/A N/A N/A
WIN55212-2 HE_HCoV-OC43 Hemagglutinin-esterase -7.72 N/A N/A N/A N/A
PY1-61 HE_HCoV-OC43 Hemagglutinin-esterase -7.27 N/A N/A N/A N/A
PY2-64 HE_HCoV-OC43 Hemagglutinin-esterase -5.93 N/A N/A N/A N/A
WIN55212-2 HE_MHV Hemagglutinin-esterase -7.30 N/A N/A N/A N/A
PY1-61 HE_MHV Hemagglutinin-esterase -6.83 N/A N/A N/A N/A
PY2-64 HE_MHV Hemagglutinin-esterase -5.67 N/A N/A N/A N/A
WIN55212-2 IN_HIV1 Gag-Pol polyprotein -6.82 -6.95 N/A N/A N/A
PY1-61 IN_HIV1 Gag-Pol polyprotein -6.56 -6.32 N/A N/A N/A
PY2-64 IN_HIV1 Gag-Pol polyprotein -6.16 -5.82 N/A N/A N/A
WIN55212-2 MD_HKU4 Replicase polyprotein 1ab -10.69 -10.77 -8.48 N/A N/A
PY1-61 MD_HKU4 Replicase polyprotein 1ab -9.27 -8.51 -8.96 N/A N/A
PY2-64 MD_HKU4 Replicase polyprotein 1ab -8.82 -8.41 -9.46 N/A N/A
WIN55212-2 MD_MERs Replicase polyprotein 1a -8.81 -10.03 N/A N/A N/A
PY1-61 MD_MERs Replicase polyprotein 1a -9.46 -9.10 N/A N/A N/A
PY2-64 MD_MERs Replicase polyprotein 1a -9.33 -8.81 N/A N/A N/A
WIN55212-2 MTASE_SARS2 Methyltransferase -6.89 N/A N/A N/A N/A
WIN55212-2 MTASE_SARS2 Methyltransferase -9.07 N/A N/A N/A N/A
PY1-61 MTASE_SARS2 Methyltransferase -6.97 N/A N/A N/A N/A
PY1-61 MTASE_SARS2 Methyltransferase -7.76 N/A N/A N/A N/A
PY2-64 MTASE_SARS2 Methyltransferase -5.89 N/A N/A N/A N/A
PY2-64 MTASE_SARS2 Methyltransferase -6.63 N/A N/A N/A N/A
WIN55212-2 MX2_A-H5N1 Matrix protein 2 -2.14 N/A N/A N/A N/A
PY1-61 MX2_A-H5N1 Matrix protein 2 1.38 N/A N/A N/A N/A
PY2-64 MX2_A-H5N1 Matrix protein 2 -5.23 N/A N/A N/A N/A
WIN55212-2 NA_A-H11N6 Neuraminidase -8.77 -8.64 -8.68 N/A N/A
PY1-61 NA_A-H11N6 Neuraminidase -8.21 -8.06 -7.01 N/A N/A
PY2-64 NA_A-H11N6 Neuraminidase -7.14 -7.16 -7.11 N/A N/A
WIN55212-2 NA_A-H11N9 Neuraminidase -7.79 -8.81 -9.31 N/A N/A
PY1-61 NA_A-H11N9 Neuraminidase -7.32 -8.09 -7.15 N/A N/A
PY2-64 NA_A-H11N9 Neuraminidase -6.95 -7.28 -7.38 N/A N/A
WIN55212-2 NA_A-H12N5 Neuraminidase -8.33 -8.93 -8.75 N/A N/A
PY1-61 NA_A-H12N5 Neuraminidase -7.41 -7.72 -7.31 N/A N/A
PY2-64 NA_A-H12N5 Neuraminidase -7.09 -7.45 -7.27 N/A N/A
WIN55212-2 NA_A-H13N9 Neuraminidase -7.69 N/A N/A N/A N/A
PY1-61 NA_A-H13N9 Neuraminidase -5.82 N/A N/A N/A N/A
PY2-64 NA_A-H13N9 Neuraminidase -5.39 N/A N/A N/A N/A
WIN55212-2 NA_A-H17N10 Neuraminidase -8.01 N/A N/A N/A N/A
PY1-61 NA_A-H17N10 Neuraminidase -7.60 N/A N/A N/A N/A
PY2-64 NA_A-H17N10 Neuraminidase -7.40 N/A N/A N/A N/A
WIN55212-2 NA_A-H18N11 Neuraminidase -8.19 N/A N/A N/A N/A
PY1-61 NA_A-H18N11 Neuraminidase -7.03 N/A N/A N/A N/A
PY2-64 NA_A-H18N11 Neuraminidase -7.10 N/A N/A N/A N/A
WIN55212-2 NA_A-H1N1 Neuraminidase -7.77 N/A N/A N/A N/A
PY1-61 NA_A-H1N1 Neuraminidase -7.52 N/A N/A N/A N/A
PY2-64 NA_A-H1N1 Neuraminidase -6.77 N/A N/A N/A N/A
WIN55212-2 NA_A-H2N2 Neuraminidase -9.02 -8.33 -8.92 N/A N/A
PY1-61 NA_A-H2N2 Neuraminidase -7.92 -7.84 -7.26 N/A N/A
PY2-64 NA_A-H2N2 Neuraminidase -6.63 -6.75 -6.88 N/A N/A
WIN55212-2 NA_A-H3N2 Ig heavy chain Mem5 -8.48 -7.65 N/A N/A N/A
PY1-61 NA_A-H3N2 Ig heavy chain Mem5 -7.11 -6.70 N/A N/A N/A
PY2-64 NA_A-H3N2 Ig heavy chain Mem5 -6.41 -6.12 N/A N/A N/A
WIN55212-2 NA_A-H3N8 Neuraminidase -8.13 -9.42 -8.43 N/A N/A
PY1-61 NA_A-H3N8 Neuraminidase -7.23 -8.15 -7.45 N/A N/A
PY2-64 NA_A-H3N8 Neuraminidase -7.21 -7.05 -7.09 N/A N/A
WIN55212-2 NA_A-H5N1 Neuraminidase -8.21 N/A N/A N/A N/A
PY1-61 NA_A-H5N1 Neuraminidase -7.50 N/A N/A N/A N/A
PY2-64 NA_A-H5N1 Neuraminidase -7.63 N/A N/A N/A N/A
WIN55212-2 NA_A-H7N9 Neuraminidase -7.94 -8.42 -8.57 N/A N/A
PY1-61 NA_A-H7N9 Neuraminidase -7.41 -7.45 -7.45 N/A N/A
PY2-64 NA_A-H7N9 Neuraminidase -6.36 -7.49 -6.88 N/A N/A
WIN55212-2 NA_INFB Neuraminidase -8.19 -8.62 N/A 27.20% CHEMBL4175983
PY1-61 NA_INFB Neuraminidase -6.63 -7.35 N/A 32.14% CHEMBL4161935
PY2-64 NA_INFB Neuraminidase -6.44 -6.83 N/A 23.86% CHEMBL4161935
WIN55212-2 NP_A-H1N1 Nucleoprotein -8.09 -7.97 -7.42 N/A N/A
PY1-61 NP_A-H1N1 Nucleoprotein -6.24 -6.61 -6.77 N/A N/A
PY2-64 NP_A-H1N1 Nucleoprotein -6.10 -6.92 -6.09 N/A N/A
WIN55212-2 NP_A-H5N1 Nucleoprotein -7.85 N/A N/A N/A N/A
PY1-61 NP_A-H5N1 Nucleoprotein -6.43 N/A N/A N/A N/A
PY2-64 NP_A-H5N1 Nucleoprotein -6.66 N/A N/A N/A N/A
WIN55212-2 NP_HCoV-NL63 Nucleoprotein -8.16 N/A N/A N/A N/A
PY1-61 NP_HCoV-NL63 Nucleoprotein -7.68 N/A N/A N/A N/A
PY2-64 NP_HCoV-NL63 Nucleoprotein -6.84 N/A N/A N/A N/A
WIN55212-2 NP_HCoV-OC43 Nucleoprotein -10.89 -8.74 -8.42 20.10% CHEMBL3233481
PY1-61 NP_HCoV-OC43 Nucleoprotein -7.82 -7.81 -7.00 29.36% CHEMBL3233481
PY2-64 NP_HCoV-OC43 Nucleoprotein -8.20 -6.81 -6.99 18.98% CHEMBL3233481
WIN55212-2 NP_INFB Nucleoprotein -6.27 N/A N/A N/A N/A
PY1-61 NP_INFB Nucleoprotein -5.67 N/A N/A N/A N/A
PY2-64 NP_INFB Nucleoprotein -5.22 N/A N/A N/A N/A
WIN55212-2 NP_INFD NP -6.51 N/A N/A N/A N/A
PY1-61 NP_INFD NP -5.65 N/A N/A N/A N/A
PY2-64 NP_INFD NP -4.75 N/A N/A N/A N/A
WIN55212-2 NP_SARS Nucleoprotein -8.36 N/A N/A N/A N/A
PY1-61 NP_SARS Nucleoprotein -7.41 N/A N/A N/A N/A
PY2-64 NP_SARS Nucleoprotein -7.63 N/A N/A N/A N/A
WIN55212-2 NS3_HCV1A Genome polyprotein -7.59 -7.31 -8.57 38.22% CHEMBL3948676
PY1-61 NS3_HCV1A Genome polyprotein -5.91 -6.60 -8.08 35.51% CHEMBL3984600
PY2-64 NS3_HCV1A Genome polyprotein -8.37 -5.49 -6.69 27.20% CHEMBL3945828
WIN55212-2 NS3_HCV1B Genome polyprotein -9.93 -8.99 -7.34 32.42% CHEMBL1170417
PY1-61 NS3_HCV1B Genome polyprotein -8.33 -8.85 -6.18 25.33% CHEMBL1170408
PY2-64 NS3_HCV1B Genome polyprotein -8.10 -6.81 -5.61 29.80% CHEMBL1170417
WIN55212-2 NS3_HCV3A Genome polyprotein -7.72 -7.79 -7.31 N/A N/A
PY1-61 NS3_HCV3A Genome polyprotein -7.29 -7.16 -6.77 N/A N/A
PY2-64 NS3_HCV3A Genome polyprotein -6.74 -6.29 -6.42 N/A N/A
WIN55212-2 NS5B_HCV1A Genome polyprotein -9.35 -10.07 -9.96 35.38% CHEMBL353549
PY1-61 NS5B_HCV1A Genome polyprotein -8.43 -9.37 -9.37 30.77% CHEMBL3644925
PY2-64 NS5B_HCV1A Genome polyprotein -8.11 -8.47 -8.68 31.22% CHEMBL176058
WIN55212-2 NS5B_HCV1B Genome polyprotein -9.57 -8.32 -8.27 35.19% CHEMBL3422106
PY1-61 NS5B_HCV1B Genome polyprotein -8.18 -8.67 -8.22 30.57% CHEMBL3645183
PY2-64 NS5B_HCV1B Genome polyprotein -7.65 -8.31 -8.81 34.42% CHEMBL3645180
WIN55212-2 NS5B_HCV2A Genome polyprotein -11.20 -9.85 N/A N/A N/A
PY1-61 NS5B_HCV2A Genome polyprotein -10.07 -8.77 N/A N/A N/A
PY2-64 NS5B_HCV2A Genome polyprotein -9.07 -8.49 N/A N/A N/A
WIN55212-2 NSP15_SARS Replicase polyprotein 1ab -7.97 N/A N/A 24.41% CHEMBL221366
PY1-61 NSP15_SARS Replicase polyprotein 1ab -7.21 N/A N/A 25.83% CHEMBL2441741
PY2-64 NSP15_SARS Replicase polyprotein 1ab -6.84 N/A N/A 18.38% CHEMBL3105073
WIN55212-2 NSP15_SARS2 Replicase polyprotein 1ab -8.84 N/A N/A N/A N/A
PY1-61 NSP15_SARS2 Replicase polyprotein 1ab -7.56 N/A N/A N/A N/A
PY2-64 NSP15_SARS2 Replicase polyprotein 1ab -7.10 N/A N/A N/A N/A
WIN55212-2 NSP1_INFB Non-structural protein 1 -8.62 -8.68 N/A N/A N/A
PY1-61 NSP1_INFB Non-structural protein 1 -6.18 -6.54 N/A N/A N/A
PY2-64 NSP1_INFB Non-structural protein 1 -6.39 -5.82 N/A N/A N/A
WIN55212-2 NSP1_SARS Replicase polyprotein 1ab -6.50 N/A N/A 24.41% CHEMBL221366
PY1-61 NSP1_SARS Replicase polyprotein 1ab -6.20 N/A N/A 25.83% CHEMBL2441741
PY2-64 NSP1_SARS Replicase polyprotein 1ab -5.92 N/A N/A 18.38% CHEMBL3105073
WIN55212-2 NSP3_HCoV-229E Replicase polyprotein 1a -10.06 N/A N/A N/A N/A
PY1-61 NSP3_HCoV-229E Replicase polyprotein 1a -9.15 N/A N/A N/A N/A
PY2-64 NSP3_HCoV-229E Replicase polyprotein 1a -8.40 N/A N/A N/A N/A
WIN55212-2 NSP3_IBV Replicase polyprotein 1a -8.78 N/A N/A N/A N/A
PY1-61 NSP3_IBV Replicase polyprotein 1a -9.18 N/A N/A N/A N/A
PY2-64 NSP3_IBV Replicase polyprotein 1a -8.63 N/A N/A N/A N/A
WIN55212-2 NSP3_MHV Replicase polyprotein 1ab -7.56 N/A N/A N/A N/A
PY1-61 NSP3_MHV Replicase polyprotein 1ab -7.40 N/A N/A N/A N/A
PY2-64 NSP3_MHV Replicase polyprotein 1ab -6.31 N/A N/A N/A N/A
WIN55212-2 NSP3_SARS2 Replicase polyprotein 1ab -9.06 N/A N/A N/A N/A
PY1-61 NSP3_SARS2 Replicase polyprotein 1ab -7.44 N/A N/A N/A N/A
PY2-64 NSP3_SARS2 Replicase polyprotein 1ab -7.53 N/A N/A N/A N/A
WIN55212-2 NSP9_HCoV-229E Replicase polyprotein 1ab -8.51 -7.74 N/A N/A N/A
PY1-61 NSP9_HCoV-229E Replicase polyprotein 1ab -6.32 -6.85 N/A N/A N/A
PY2-64 NSP9_HCoV-229E Replicase polyprotein 1ab -6.16 -5.83 N/A N/A N/A
WIN55212-2 PA_A-H17N10 Polymerase acidic protein -8.56 N/A N/A N/A N/A
PY1-61 PA_A-H17N10 Polymerase acidic protein -7.57 N/A N/A N/A N/A
PY2-64 PA_A-H17N10 Polymerase acidic protein -7.58 N/A N/A N/A N/A
WIN55212-2 PA_A-H1N1 Polymerase acidic protein -9.86 -9.65 -8.86 N/A N/A
PY1-61 PA_A-H1N1 Polymerase acidic protein -8.36 -7.43 -8.24 N/A N/A
PY2-64 PA_A-H1N1 Polymerase acidic protein -8.36 -7.42 -6.86 N/A N/A
WIN55212-2 PA_A-H5N1 Polymerase acidic protein -9.57 -9.09 -9.24 N/A N/A
PY1-61 PA_A-H5N1 Polymerase acidic protein -7.69 -7.33 -7.63 N/A N/A
PY2-64 PA_A-H5N1 Polymerase acidic protein -7.79 -7.93 -7.94 N/A N/A
WIN55212-2 PA_INFA Polymerase acidic protein -9.94 -8.91 -9.24 27.39% CHEMBL2443239
PY1-61 PA_INFA Polymerase acidic protein -9.19 -8.13 -7.86 33.05% CHEMBL2040552
PY2-64 PA_INFA Polymerase acidic protein -8.11 -7.11 -7.57 25.17% CHEMBL2040552
WIN55212-2 PA_INFB Polymerase acidic protein -9.29 N/A N/A N/A N/A
PY1-61 PA_INFB Polymerase acidic protein -8.35 N/A N/A N/A N/A
PY2-64 PA_INFB Polymerase acidic protein -7.60 N/A N/A N/A N/A
WIN55212-2 PB2_A-H3N2 Polymerase basic protein 2 -10.73 -11.19 N/A N/A N/A
PY1-61 PB2_A-H3N2 Polymerase basic protein 2 -8.02 -7.75 N/A N/A N/A
PY2-64 PB2_A-H3N2 Polymerase basic protein 2 -7.23 -8.21 N/A N/A N/A
WIN55212-2 PB2_A-H5N1 Polymerase basic protein 2 -9.61 -10.44 -9.57 N/A N/A
PY1-61 PB2_A-H5N1 Polymerase basic protein 2 -7.86 -8.09 -7.77 N/A N/A
PY2-64 PB2_A-H5N1 Polymerase basic protein 2 -6.81 -7.80 -7.42 N/A N/A
WIN55212-2 PB2_INFB Polymerase basic protein 2 -9.77 N/A N/A N/A N/A
PY1-61 PB2_INFB Polymerase basic protein 2 -8.03 N/A N/A N/A N/A
PY2-64 PB2_INFB Polymerase basic protein 2 -7.13 N/A N/A N/A N/A
WIN55212-2 PB3_A-H3N2 Polymerase basic protein 2 -10.97 N/A N/A N/A N/A
PY1-61 PB3_A-H3N2 Polymerase basic protein 2 -7.22 N/A N/A N/A N/A
PY2-64 PB3_A-H3N2 Polymerase basic protein 2 -8.07 N/A N/A N/A N/A
WIN55212-2 PB4_A-H3N2 Polymerase basic protein 2 -10.31 N/A N/A N/A N/A
PY1-61 PB4_A-H3N2 Polymerase basic protein 2 -8.06 N/A N/A N/A N/A
PY2-64 PB4_A-H3N2 Polymerase basic protein 2 -7.30 N/A N/A N/A N/A
WIN55212-2 PLP_SARS Replicase polyprotein 1a -10.24 -10.24 -10.52 31.46% CHEMBL225515
PY1-61 PLP_SARS Replicase polyprotein 1a -8.69 -9.58 -9.96 53.72% CHEMBL358279
PY2-64 PLP_SARS Replicase polyprotein 1a -8.83 -8.60 -9.69 27.61% CHEMBL358279
WIN55212-2 PLP_SARS2 papain-like protease -7.87 N/A N/A N/A N/A
PY1-61 PLP_SARS2 papain-like protease -6.67 N/A N/A N/A N/A
PY2-64 PLP_SARS2 papain-like protease -6.08 N/A N/A N/A N/A
WIN55212-2 PR_FCoV Replicase polyprotein 1ab -8.58 N/A N/A N/A N/A
PY1-61 PR_FCoV Replicase polyprotein 1ab -7.24 N/A N/A N/A N/A
PY2-64 PR_FCoV Replicase polyprotein 1ab -7.17 N/A N/A N/A N/A
WIN55212-2 PR_HCoV-229E Replicase polyprotein 1a -8.73 -7.85 N/A N/A N/A
PY1-61 PR_HCoV-229E Replicase polyprotein 1a -7.34 -7.17 N/A N/A N/A
PY2-64 PR_HCoV-229E Replicase polyprotein 1a -7.33 -6.78 N/A N/A N/A
WIN55212-2 PR_HCoV-NL63 Replicase polyprotein 1a -5.46 -8.61 N/A N/A N/A
PY1-61 PR_HCoV-NL63 Replicase polyprotein 1a -5.43 -7.36 N/A N/A N/A
PY2-64 PR_HCoV-NL63 Replicase polyprotein 1a -4.69 -7.13 N/A N/A N/A
WIN55212-2 PR_HIV1 Gag-Pol polyprotein -7.57 -8.01 -8.38 28.40% CHEMBL450294
PY1-61 PR_HIV1 Gag-Pol polyprotein -7.10 -6.11 -6.29 21.79% CHEMBL492666
PY2-64 PR_HIV1 Gag-Pol polyprotein -6.87 -6.63 -6.78 37.93% CHEMBL492666
WIN55212-2 PR_HIV2 Gag-Pol polyprotein -8.73 -7.63 N/A N/A N/A
PY1-61 PR_HIV2 Gag-Pol polyprotein -7.40 -7.07 N/A N/A N/A
PY2-64 PR_HIV2 Gag-Pol polyprotein -6.94 -6.89 N/A N/A N/A
WIN55212-2 PR_HKU1 Replicase polyprotein 1a -7.27 N/A N/A N/A N/A
PY1-61 PR_HKU1 Replicase polyprotein 1a -7.70 N/A N/A N/A N/A
PY2-64 PR_HKU1 Replicase polyprotein 1a -6.56 N/A N/A N/A N/A
WIN55212-2 PR_HKU4 Replicase polyprotein 1ab -7.87 -8.52 -8.50 N/A N/A
PY1-61 PR_HKU4 Replicase polyprotein 1ab -7.27 -7.49 -7.37 N/A N/A
PY2-64 PR_HKU4 Replicase polyprotein 1ab -6.49 -8.11 -7.91 N/A N/A
WIN55212-2 PR_IBV Replicase polyprotein 1a -8.89 N/A N/A N/A N/A
PY1-61 PR_IBV Replicase polyprotein 1a -7.11 N/A N/A N/A N/A
PY2-64 PR_IBV Replicase polyprotein 1a -7.07 N/A N/A N/A N/A
WIN55212-2 PR_MERs 3C-like proteinase -9.13 -8.58 N/A N/A N/A
PY1-61 PR_MERs 3C-like proteinase -6.92 -7.46 N/A N/A N/A
PY2-64 PR_MERs 3C-like proteinase -6.97 -8.21 N/A N/A N/A
WIN55212-2 PR_PEDV 3C-like proteinase -8.90 N/A N/A N/A N/A
PY1-61 PR_PEDV 3C-like proteinase -7.61 N/A N/A N/A N/A
PY2-64 PR_PEDV 3C-like proteinase -6.73 N/A N/A N/A N/A
WIN55212-2 PR_SARS Replicase polyprotein 1ab -8.40 -8.06 -9.13 24.41% CHEMBL221366
PY1-61 PR_SARS Replicase polyprotein 1ab -7.21 -6.54 -7.77 25.83% CHEMBL2441741
PY2-64 PR_SARS Replicase polyprotein 1ab -6.69 -6.44 -7.26 18.38% CHEMBL3105073
WIN55212-2 PR_SARS2 3C-like protease -8.07 N/A N/A N/A N/A
PY1-61 PR_SARS2 3C-like protease -7.35 N/A N/A N/A N/A
PY2-64 PR_SARS2 3C-like protease -6.28 N/A N/A N/A N/A
WIN55212-2 PR_TGEV Replicase polyprotein 1a -8.21 N/A N/A N/A N/A
PY1-61 PR_TGEV Replicase polyprotein 1a -7.55 N/A N/A N/A N/A
PY2-64 PR_TGEV Replicase polyprotein 1a -7.22 N/A N/A N/A N/A
WIN55212-2 RDRP_SARS2 RNA-dependent RNA polymerase -7.48 N/A N/A 24.49% CHEMBL4065616
PY1-61 RDRP_SARS2 RNA-dependent RNA polymerase -6.98 N/A N/A 14.33% CHEMBL4065616
PY2-64 RDRP_SARS2 RNA-dependent RNA polymerase -6.61 N/A N/A 14.79% CHEMBL4065616
WIN55212-2 RT_HIV1 Gag-Pol polyprotein -11.41 -10.67 -11.46 32.25% CHEMBL3900871
PY1-61 RT_HIV1 Gag-Pol polyprotein -9.10 -9.31 -8.55 33.33% CHEMBL4227382
PY2-64 RT_HIV1 Gag-Pol polyprotein -8.94 -8.94 -9.23 31.39% CHEMBL4115202
WIN55212-2 SPIKE_HCoV-229E Spike glycoprotein -6.61 N/A N/A N/A N/A
PY1-61 SPIKE_HCoV-229E Spike glycoprotein -5.80 N/A N/A N/A N/A
PY2-64 SPIKE_HCoV-229E Spike glycoprotein -5.03 N/A N/A N/A N/A
WIN55212-2 SPIKE_HCoV-NL63 Spike glycoprotein -7.24 N/A N/A N/A N/A
PY1-61 SPIKE_HCoV-NL63 Spike glycoprotein -6.24 N/A N/A N/A N/A
PY2-64 SPIKE_HCoV-NL63 Spike glycoprotein -6.07 N/A N/A N/A N/A
WIN55212-2 SPIKE_HCoV-OC43 Spike glycoprotein -7.14 N/A N/A N/A N/A
PY1-61 SPIKE_HCoV-OC43 Spike glycoprotein -6.83 N/A N/A N/A N/A
PY2-64 SPIKE_HCoV-OC43 Spike glycoprotein -6.71 N/A N/A N/A N/A
WIN55212-2 SPIKE_HKU4 Spike glycoprotein -8.31 N/A N/A N/A N/A
PY1-61 SPIKE_HKU4 Spike glycoprotein -6.78 N/A N/A N/A N/A
PY2-64 SPIKE_HKU4 Spike glycoprotein -7.34 N/A N/A N/A N/A
WIN55212-2 SPIKE_IBV Spike glycoprotein -7.27 N/A N/A N/A N/A
PY1-61 SPIKE_IBV Spike glycoprotein -6.04 N/A N/A N/A N/A
PY2-64 SPIKE_IBV Spike glycoprotein -5.26 N/A N/A N/A N/A
WIN55212-2 SPIKE_MERs Spike glycoprotein -8.10 -8.12 -6.53 N/A N/A
PY1-61 SPIKE_MERs Spike glycoprotein -6.39 -6.46 -6.20 N/A N/A
PY2-64 SPIKE_MERs Spike glycoprotein -7.06 -6.17 -5.26 N/A N/A
WIN55212-2 SPIKE_MHV Spike glycoprotein -8.71 N/A N/A N/A N/A
PY1-61 SPIKE_MHV Spike glycoprotein -7.50 N/A N/A N/A N/A
PY2-64 SPIKE_MHV Spike glycoprotein -6.35 N/A N/A N/A N/A
WIN55212-2 SPIKE_PDCoV Spike protein -7.74 N/A N/A N/A N/A
PY1-61 SPIKE_PDCoV Spike protein -6.51 N/A N/A N/A N/A
PY2-64 SPIKE_PDCoV Spike protein -5.63 N/A N/A N/A N/A
WIN55212-2 SPIKE_SARS Spike glycoprotein -7.63 -7.71 N/A N/A N/A
PY1-61 SPIKE_SARS Spike glycoprotein -6.52 -6.33 N/A N/A N/A
PY2-64 SPIKE_SARS Spike glycoprotein -6.05 -5.68 N/A N/A N/A
WIN55212-2 SPIKE_SARS2 Spike glycoprotein -7.67 -8.16 -8.63 N/A N/A
PY1-61 SPIKE_SARS2 Spike glycoprotein -5.59 -6.11 -6.59 N/A N/A
PY2-64 SPIKE_SARS2 Spike glycoprotein -4.44 -5.79 -6.23 N/A N/A