p62_compounds_2 #192 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
XIE2008 ACE2_HUMAN angiotensin converting enzyme 2 -9.34 N/A N/A 39.52% CHEMBL254703
XIE5-2-35 ACE2_HUMAN angiotensin converting enzyme 2 -9.42 N/A N/A 28.30% CHEMBL254495
XIE5-2-9 ACE2_HUMAN angiotensin converting enzyme 2 -9.25 N/A N/A 30.20% CHEMBL254495
XIE5-2-17 ACE2_HUMAN angiotensin converting enzyme 2 -9.22 N/A N/A 41.43% CHEMBL254911
XIE2008 GP160_HIV1 Envelope glycoprotein gp160 -7.08 -7.54 -6.21 N/A N/A
XIE5-2-35 GP160_HIV1 Envelope glycoprotein gp160 -8.68 -8.36 -8.15 N/A N/A
XIE5-2-9 GP160_HIV1 Envelope glycoprotein gp160 -8.12 -7.84 -8.20 N/A N/A
XIE5-2-17 GP160_HIV1 Envelope glycoprotein gp160 -8.19 -8.31 -8.09 N/A N/A
XIE2008 GP160_HIV2 Envelope glycoprotein gp160 -5.47 N/A N/A N/A N/A
XIE5-2-35 GP160_HIV2 Envelope glycoprotein gp160 -6.60 N/A N/A N/A N/A
XIE5-2-9 GP160_HIV2 Envelope glycoprotein gp160 -7.28 N/A N/A N/A N/A
XIE5-2-17 GP160_HIV2 Envelope glycoprotein gp160 -7.37 N/A N/A N/A N/A
XIE2008 GP_EBOV Envelope glycoprotein -6.88 -8.15 -8.18 17.41% CHEMBL3125895
XIE5-2-35 GP_EBOV Envelope glycoprotein -7.73 -7.89 -8.94 20.99% CHEMBL3125895
XIE5-2-9 GP_EBOV Envelope glycoprotein -7.71 -7.98 -8.07 18.53% CHEMBL3125895
XIE5-2-17 GP_EBOV Envelope glycoprotein -7.61 -8.61 -8.43 19.38% CHEMBL3125895
XIE2008 HA_A-H10N7 Hemagglutinin -6.42 N/A N/A N/A N/A
XIE5-2-35 HA_A-H10N7 Hemagglutinin -6.60 N/A N/A N/A N/A
XIE5-2-9 HA_A-H10N7 Hemagglutinin -6.34 N/A N/A N/A N/A
XIE5-2-17 HA_A-H10N7 Hemagglutinin -6.72 N/A N/A N/A N/A
XIE2008 HA_A-H10N8 Hemagglutinin -6.45 N/A N/A N/A N/A
XIE5-2-35 HA_A-H10N8 Hemagglutinin -6.17 N/A N/A N/A N/A
XIE5-2-9 HA_A-H10N8 Hemagglutinin -5.94 N/A N/A N/A N/A
XIE5-2-17 HA_A-H10N8 Hemagglutinin -6.39 N/A N/A N/A N/A
XIE2008 HA_A-H13N6 Hemagglutinin -5.60 N/A N/A N/A N/A
XIE5-2-35 HA_A-H13N6 Hemagglutinin -6.10 N/A N/A N/A N/A
XIE5-2-9 HA_A-H13N6 Hemagglutinin -5.33 N/A N/A N/A N/A
XIE5-2-17 HA_A-H13N6 Hemagglutinin -5.73 N/A N/A N/A N/A
XIE2008 HA_A-H14N6 Hemagglutinin -6.39 N/A N/A N/A N/A
XIE5-2-35 HA_A-H14N6 Hemagglutinin -7.98 N/A N/A N/A N/A
XIE5-2-9 HA_A-H14N6 Hemagglutinin -7.49 N/A N/A N/A N/A
XIE5-2-17 HA_A-H14N6 Hemagglutinin -7.26 N/A N/A N/A N/A
XIE2008 HA_A-H15N9 Hemagglutinin -6.39 N/A N/A N/A N/A
XIE5-2-35 HA_A-H15N9 Hemagglutinin -6.68 N/A N/A N/A N/A
XIE5-2-9 HA_A-H15N9 Hemagglutinin -5.88 N/A N/A N/A N/A
XIE5-2-17 HA_A-H15N9 Hemagglutinin -6.83 N/A N/A N/A N/A
XIE2008 HA_A-H17N10 Hemagglutinin -5.39 N/A N/A N/A N/A
XIE5-2-35 HA_A-H17N10 Hemagglutinin -6.03 N/A N/A N/A N/A
XIE5-2-9 HA_A-H17N10 Hemagglutinin -5.36 N/A N/A N/A N/A
XIE5-2-17 HA_A-H17N10 Hemagglutinin -6.99 N/A N/A N/A N/A
XIE2008 HA_A-H18N11 Hemagglutinin -5.78 N/A N/A N/A N/A
XIE5-2-35 HA_A-H18N11 Hemagglutinin -6.95 N/A N/A N/A N/A
XIE5-2-9 HA_A-H18N11 Hemagglutinin -5.62 N/A N/A N/A N/A
XIE5-2-17 HA_A-H18N11 Hemagglutinin -5.37 N/A N/A N/A N/A
XIE2008 HA_A-H1N1 Hemagglutinin -6.08 -6.48 N/A N/A N/A
XIE5-2-35 HA_A-H1N1 Hemagglutinin -6.43 -6.33 N/A N/A N/A
XIE5-2-9 HA_A-H1N1 Hemagglutinin -7.24 -6.86 N/A N/A N/A
XIE5-2-17 HA_A-H1N1 Hemagglutinin -5.99 -6.18 N/A N/A N/A
XIE2008 HA_A-H2N2 Hemagglutinin -5.76 -5.66 N/A N/A N/A
XIE5-2-35 HA_A-H2N2 Hemagglutinin -6.47 -5.83 N/A N/A N/A
XIE5-2-9 HA_A-H2N2 Hemagglutinin -6.18 -5.86 N/A N/A N/A
XIE5-2-17 HA_A-H2N2 Hemagglutinin -5.93 -6.26 N/A N/A N/A
XIE2008 HA_A-H3N2 Hemagglutinin -5.97 -5.71 -6.14 N/A N/A
XIE5-2-35 HA_A-H3N2 Hemagglutinin -6.76 -7.08 -6.33 N/A N/A
XIE5-2-9 HA_A-H3N2 Hemagglutinin -6.41 -6.52 -6.23 N/A N/A
XIE5-2-17 HA_A-H3N2 Hemagglutinin -6.93 -6.67 -6.00 N/A N/A
XIE2008 HA_A-H3N8 Hemagglutinin -5.18 -4.94 -6.26 N/A N/A
XIE5-2-35 HA_A-H3N8 Hemagglutinin -5.72 -5.39 -7.01 N/A N/A
XIE5-2-9 HA_A-H3N8 Hemagglutinin -5.49 -5.32 -5.43 N/A N/A
XIE5-2-17 HA_A-H3N8 Hemagglutinin -5.90 -5.67 -7.16 N/A N/A
XIE2008 HA_A-H5N1 Hemagglutinin -6.28 -6.34 -6.88 N/A N/A
XIE5-2-35 HA_A-H5N1 Hemagglutinin -6.67 -6.87 -7.18 N/A N/A
XIE5-2-9 HA_A-H5N1 Hemagglutinin -6.09 -6.71 -5.47 N/A N/A
XIE5-2-17 HA_A-H5N1 Hemagglutinin -5.81 -6.51 -6.62 N/A N/A
XIE2008 HA_A-H5N3 Hemagglutinin -6.14 -5.83 N/A N/A N/A
XIE5-2-35 HA_A-H5N3 Hemagglutinin -6.28 -7.14 N/A N/A N/A
XIE5-2-9 HA_A-H5N3 Hemagglutinin -6.57 -6.47 N/A N/A N/A
XIE5-2-17 HA_A-H5N3 Hemagglutinin -6.19 -6.67 N/A N/A N/A
XIE2008 HA_A-H6N1 Hemagglutinin -6.45 N/A N/A N/A N/A
XIE5-2-35 HA_A-H6N1 Hemagglutinin -6.17 N/A N/A N/A N/A
XIE5-2-9 HA_A-H6N1 Hemagglutinin -5.94 N/A N/A N/A N/A
XIE5-2-17 HA_A-H6N1 Hemagglutinin -6.39 N/A N/A N/A N/A
XIE2008 HA_A-H6N6 Hemagglutinin -5.90 N/A N/A N/A N/A
XIE5-2-35 HA_A-H6N6 Hemagglutinin -6.01 N/A N/A N/A N/A
XIE5-2-9 HA_A-H6N6 Hemagglutinin -5.61 N/A N/A N/A N/A
XIE5-2-17 HA_A-H6N6 Hemagglutinin -6.41 N/A N/A N/A N/A
XIE2008 HA_A-H7N2 Hemagglutinin -5.85 -4.92 -5.67 N/A N/A
XIE5-2-35 HA_A-H7N2 Hemagglutinin -6.09 -5.95 -6.05 N/A N/A
XIE5-2-9 HA_A-H7N2 Hemagglutinin -5.45 -6.90 -5.69 N/A N/A
XIE5-2-17 HA_A-H7N2 Hemagglutinin -5.44 -5.52 -5.30 N/A N/A
XIE2008 HA_A-H7N7 Hemagglutinin -5.76 -5.74 N/A N/A N/A
XIE5-2-35 HA_A-H7N7 Hemagglutinin -5.84 -6.48 N/A N/A N/A
XIE5-2-9 HA_A-H7N7 Hemagglutinin -4.93 -6.37 N/A N/A N/A
XIE5-2-17 HA_A-H7N7 Hemagglutinin -5.56 -6.18 N/A N/A N/A
XIE2008 HA_A-H7N9 Hemagglutinin -6.54 N/A N/A N/A N/A
XIE5-2-35 HA_A-H7N9 Hemagglutinin -7.06 N/A N/A N/A N/A
XIE5-2-9 HA_A-H7N9 Hemagglutinin -6.53 N/A N/A N/A N/A
XIE5-2-17 HA_A-H7N9 Hemagglutinin -6.67 N/A N/A N/A N/A
XIE2008 HA_INFB Hemagglutinin -6.03 -5.99 N/A N/A N/A
XIE5-2-35 HA_INFB Hemagglutinin -6.70 -6.93 N/A N/A N/A
XIE5-2-9 HA_INFB Hemagglutinin -6.56 -5.46 N/A N/A N/A
XIE5-2-17 HA_INFB Hemagglutinin -6.78 -6.31 N/A N/A N/A
XIE2008 HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.02 N/A N/A N/A N/A
XIE5-2-35 HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.18 N/A N/A N/A N/A
XIE5-2-9 HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.56 N/A N/A N/A N/A
XIE5-2-17 HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.51 N/A N/A N/A N/A
XIE2008 HE_BCV Hemagglutinin-esterase -5.94 -6.07 N/A N/A N/A
XIE5-2-35 HE_BCV Hemagglutinin-esterase -7.21 -6.29 N/A N/A N/A
XIE5-2-9 HE_BCV Hemagglutinin-esterase -6.66 -6.03 N/A N/A N/A
XIE5-2-17 HE_BCV Hemagglutinin-esterase -6.30 -6.83 N/A N/A N/A
XIE2008 HE_HCoV-OC43 Hemagglutinin-esterase -5.86 N/A N/A N/A N/A
XIE5-2-35 HE_HCoV-OC43 Hemagglutinin-esterase -6.18 N/A N/A N/A N/A
XIE5-2-9 HE_HCoV-OC43 Hemagglutinin-esterase -6.00 N/A N/A N/A N/A
XIE5-2-17 HE_HCoV-OC43 Hemagglutinin-esterase -5.69 N/A N/A N/A N/A
XIE2008 HE_MHV Hemagglutinin-esterase -5.89 N/A N/A N/A N/A
XIE5-2-35 HE_MHV Hemagglutinin-esterase -6.79 N/A N/A N/A N/A
XIE5-2-9 HE_MHV Hemagglutinin-esterase -6.91 N/A N/A N/A N/A
XIE5-2-17 HE_MHV Hemagglutinin-esterase -6.28 N/A N/A N/A N/A
XIE2008 IN_HIV1 Gag-Pol polyprotein -6.43 -5.52 N/A N/A N/A
XIE5-2-35 IN_HIV1 Gag-Pol polyprotein -6.98 -7.21 N/A N/A N/A
XIE5-2-9 IN_HIV1 Gag-Pol polyprotein -6.37 -6.81 N/A N/A N/A
XIE5-2-17 IN_HIV1 Gag-Pol polyprotein -5.87 -5.85 N/A N/A N/A
XIE2008 MD_HKU4 Replicase polyprotein 1ab -8.55 -8.33 -8.58 N/A N/A
XIE5-2-35 MD_HKU4 Replicase polyprotein 1ab -8.88 -8.79 -9.03 N/A N/A
XIE5-2-9 MD_HKU4 Replicase polyprotein 1ab -9.67 -9.25 -9.44 N/A N/A
XIE5-2-17 MD_HKU4 Replicase polyprotein 1ab -8.57 -8.17 -9.58 N/A N/A
XIE2008 MD_MERs Replicase polyprotein 1a -8.62 -8.75 N/A N/A N/A
XIE5-2-35 MD_MERs Replicase polyprotein 1a -9.33 -9.27 N/A N/A N/A
XIE5-2-9 MD_MERs Replicase polyprotein 1a -9.79 -9.43 N/A N/A N/A
XIE5-2-17 MD_MERs Replicase polyprotein 1a -9.20 -9.01 N/A N/A N/A
XIE2008 MTASE_SARS2 Methyltransferase -5.86 N/A N/A N/A N/A
XIE2008 MTASE_SARS2 Methyltransferase -7.20 N/A N/A N/A N/A
XIE5-2-35 MTASE_SARS2 Methyltransferase -6.59 N/A N/A N/A N/A
XIE5-2-35 MTASE_SARS2 Methyltransferase -7.82 N/A N/A N/A N/A
XIE5-2-9 MTASE_SARS2 Methyltransferase -6.70 N/A N/A N/A N/A
XIE5-2-9 MTASE_SARS2 Methyltransferase -7.71 N/A N/A N/A N/A
XIE5-2-17 MTASE_SARS2 Methyltransferase -6.09 N/A N/A N/A N/A
XIE5-2-17 MTASE_SARS2 Methyltransferase -7.16 N/A N/A N/A N/A
XIE2008 MX2_A-H5N1 Matrix protein 2 -6.38 N/A N/A N/A N/A
XIE5-2-35 MX2_A-H5N1 Matrix protein 2 -6.04 N/A N/A N/A N/A
XIE5-2-9 MX2_A-H5N1 Matrix protein 2 -2.32 N/A N/A N/A N/A
XIE5-2-17 MX2_A-H5N1 Matrix protein 2 -5.47 N/A N/A N/A N/A
XIE2008 NA_A-H11N6 Neuraminidase -8.39 -7.25 -7.22 N/A N/A
XIE5-2-35 NA_A-H11N6 Neuraminidase -8.13 -7.39 -7.66 N/A N/A
XIE5-2-9 NA_A-H11N6 Neuraminidase -7.03 -6.57 -6.55 N/A N/A
XIE5-2-17 NA_A-H11N6 Neuraminidase -7.59 -7.28 -7.49 N/A N/A
XIE2008 NA_A-H11N9 Neuraminidase -7.34 -8.45 -7.18 N/A N/A
XIE5-2-35 NA_A-H11N9 Neuraminidase -6.11 -7.74 -7.91 N/A N/A
XIE5-2-9 NA_A-H11N9 Neuraminidase -6.04 -7.63 -7.85 N/A N/A
XIE5-2-17 NA_A-H11N9 Neuraminidase -7.63 -7.79 -7.81 N/A N/A
XIE2008 NA_A-H12N5 Neuraminidase -6.33 -8.38 -7.64 N/A N/A
XIE5-2-35 NA_A-H12N5 Neuraminidase -7.57 -7.95 -7.75 N/A N/A
XIE5-2-9 NA_A-H12N5 Neuraminidase -7.99 -6.59 -7.81 N/A N/A
XIE5-2-17 NA_A-H12N5 Neuraminidase -6.94 -7.77 -7.20 N/A N/A
XIE2008 NA_A-H13N9 Neuraminidase -7.01 N/A N/A N/A N/A
XIE5-2-35 NA_A-H13N9 Neuraminidase -7.13 N/A N/A N/A N/A
XIE5-2-9 NA_A-H13N9 Neuraminidase -7.19 N/A N/A N/A N/A
XIE5-2-17 NA_A-H13N9 Neuraminidase -7.14 N/A N/A N/A N/A
XIE2008 NA_A-H17N10 Neuraminidase -7.05 N/A N/A N/A N/A
XIE5-2-35 NA_A-H17N10 Neuraminidase -6.66 N/A N/A N/A N/A
XIE5-2-9 NA_A-H17N10 Neuraminidase -7.25 N/A N/A N/A N/A
XIE5-2-17 NA_A-H17N10 Neuraminidase -6.85 N/A N/A N/A N/A
XIE2008 NA_A-H18N11 Neuraminidase -7.17 N/A N/A N/A N/A
XIE5-2-35 NA_A-H18N11 Neuraminidase -7.10 N/A N/A N/A N/A
XIE5-2-9 NA_A-H18N11 Neuraminidase -6.32 N/A N/A N/A N/A
XIE5-2-17 NA_A-H18N11 Neuraminidase -7.00 N/A N/A N/A N/A
XIE2008 NA_A-H1N1 Neuraminidase -7.02 N/A N/A N/A N/A
XIE5-2-35 NA_A-H1N1 Neuraminidase -7.51 N/A N/A N/A N/A
XIE5-2-9 NA_A-H1N1 Neuraminidase -8.38 N/A N/A N/A N/A
XIE5-2-17 NA_A-H1N1 Neuraminidase -7.87 N/A N/A N/A N/A
XIE2008 NA_A-H2N2 Neuraminidase -7.35 -7.11 -7.65 N/A N/A
XIE5-2-35 NA_A-H2N2 Neuraminidase -7.89 -7.29 -7.39 N/A N/A
XIE5-2-9 NA_A-H2N2 Neuraminidase -6.70 -8.04 -7.96 N/A N/A
XIE5-2-17 NA_A-H2N2 Neuraminidase -7.45 -7.54 -7.33 N/A N/A
XIE2008 NA_A-H3N2 Ig heavy chain Mem5 -7.07 -6.99 N/A N/A N/A
XIE5-2-35 NA_A-H3N2 Ig heavy chain Mem5 -6.77 -7.69 N/A N/A N/A
XIE5-2-9 NA_A-H3N2 Ig heavy chain Mem5 -6.36 -6.69 N/A N/A N/A
XIE5-2-17 NA_A-H3N2 Ig heavy chain Mem5 -7.50 -7.35 N/A N/A N/A
XIE2008 NA_A-H3N8 Neuraminidase -7.23 -8.13 -6.83 N/A N/A
XIE5-2-35 NA_A-H3N8 Neuraminidase -7.28 -8.71 -8.08 N/A N/A
XIE5-2-9 NA_A-H3N8 Neuraminidase -7.75 -7.69 -7.53 N/A N/A
XIE5-2-17 NA_A-H3N8 Neuraminidase -7.70 -8.10 -7.44 N/A N/A
XIE2008 NA_A-H5N1 Neuraminidase -8.30 N/A N/A N/A N/A
XIE5-2-35 NA_A-H5N1 Neuraminidase -8.81 N/A N/A N/A N/A
XIE5-2-9 NA_A-H5N1 Neuraminidase -7.81 N/A N/A N/A N/A
XIE5-2-17 NA_A-H5N1 Neuraminidase -7.67 N/A N/A N/A N/A
XIE2008 NA_A-H7N9 Neuraminidase -7.24 -7.48 -7.22 N/A N/A
XIE5-2-35 NA_A-H7N9 Neuraminidase -8.14 -8.03 -8.13 N/A N/A
XIE5-2-9 NA_A-H7N9 Neuraminidase -7.38 -7.93 -7.72 N/A N/A
XIE5-2-17 NA_A-H7N9 Neuraminidase -7.34 -7.45 -7.56 N/A N/A
XIE2008 NA_INFB Neuraminidase -6.97 -7.43 N/A 20.47% CHEMBL369125
XIE5-2-35 NA_INFB Neuraminidase -6.74 -7.10 N/A 17.70% CHEMBL4175983
XIE5-2-9 NA_INFB Neuraminidase -6.51 -6.72 N/A 24.73% CHEMBL4161935
XIE5-2-17 NA_INFB Neuraminidase -6.76 -6.98 N/A 24.08% CHEMBL4175983
XIE2008 NP_A-H1N1 Nucleoprotein -5.38 -7.37 -6.21 N/A N/A
XIE5-2-35 NP_A-H1N1 Nucleoprotein -5.77 -7.33 -7.13 N/A N/A
XIE5-2-9 NP_A-H1N1 Nucleoprotein -6.33 -6.92 -7.39 N/A N/A
XIE5-2-17 NP_A-H1N1 Nucleoprotein -5.47 -8.53 -6.30 N/A N/A
XIE2008 NP_A-H5N1 Nucleoprotein -6.35 N/A N/A N/A N/A
XIE5-2-35 NP_A-H5N1 Nucleoprotein -5.90 N/A N/A N/A N/A
XIE5-2-9 NP_A-H5N1 Nucleoprotein -6.38 N/A N/A N/A N/A
XIE5-2-17 NP_A-H5N1 Nucleoprotein -6.24 N/A N/A N/A N/A
XIE2008 NP_HCoV-NL63 Nucleoprotein -6.87 N/A N/A N/A N/A
XIE5-2-35 NP_HCoV-NL63 Nucleoprotein -6.58 N/A N/A N/A N/A
XIE5-2-9 NP_HCoV-NL63 Nucleoprotein -6.05 N/A N/A N/A N/A
XIE5-2-17 NP_HCoV-NL63 Nucleoprotein -6.45 N/A N/A N/A N/A
XIE2008 NP_HCoV-OC43 Nucleoprotein -7.65 -7.06 -6.00 8.94% CHEMBL3233481
XIE5-2-35 NP_HCoV-OC43 Nucleoprotein -8.39 -7.65 -7.28 19.26% CHEMBL3233481
XIE5-2-9 NP_HCoV-OC43 Nucleoprotein -8.75 -6.92 -6.80 21.77% CHEMBL3233481
XIE5-2-17 NP_HCoV-OC43 Nucleoprotein -8.51 -7.85 -7.24 11.76% CHEMBL3233481
XIE2008 NP_INFB Nucleoprotein -4.26 N/A N/A N/A N/A
XIE5-2-35 NP_INFB Nucleoprotein -5.69 N/A N/A N/A N/A
XIE5-2-9 NP_INFB Nucleoprotein -4.60 N/A N/A N/A N/A
XIE5-2-17 NP_INFB Nucleoprotein -5.16 N/A N/A N/A N/A
XIE2008 NP_INFD NP -5.73 N/A N/A N/A N/A
XIE5-2-35 NP_INFD NP -5.78 N/A N/A N/A N/A
XIE5-2-9 NP_INFD NP -4.91 N/A N/A N/A N/A
XIE5-2-17 NP_INFD NP -5.56 N/A N/A N/A N/A
XIE2008 NP_SARS Nucleoprotein -6.75 N/A N/A N/A N/A
XIE5-2-35 NP_SARS Nucleoprotein -7.40 N/A N/A N/A N/A
XIE5-2-9 NP_SARS Nucleoprotein -7.11 N/A N/A N/A N/A
XIE5-2-17 NP_SARS Nucleoprotein -6.70 N/A N/A N/A N/A
XIE2008 NS3_HCV1A Genome polyprotein -5.92 -5.35 -6.03 26.61% CHEMBL4107993
XIE5-2-35 NS3_HCV1A Genome polyprotein -9.17 -6.28 -8.94 34.69% CHEMBL3645743
XIE5-2-9 NS3_HCV1A Genome polyprotein -8.29 -5.70 -7.40 39.61% CHEMBL4115040
XIE5-2-17 NS3_HCV1A Genome polyprotein -5.67 -5.89 -8.24 37.50% CHEMBL3906915
XIE2008 NS3_HCV1B Genome polyprotein -6.21 -7.78 -5.85 19.20% CHEMBL297884
XIE5-2-35 NS3_HCV1B Genome polyprotein -7.78 -8.46 -6.06 26.86% CHEMBL1170408
XIE5-2-9 NS3_HCV1B Genome polyprotein -8.02 -9.18 -5.31 22.73% CHEMBL1170408
XIE5-2-17 NS3_HCV1B Genome polyprotein -8.43 -9.00 -6.25 22.13% CHEMBL1170408
XIE2008 NS3_HCV3A Genome polyprotein -6.22 -6.33 -5.75 N/A N/A
XIE5-2-35 NS3_HCV3A Genome polyprotein -6.11 -7.05 -6.49 N/A N/A
XIE5-2-9 NS3_HCV3A Genome polyprotein -5.85 -5.31 -6.75 N/A N/A
XIE5-2-17 NS3_HCV3A Genome polyprotein -6.84 -6.30 -6.23 N/A N/A
XIE2008 NS5B_HCV1A Genome polyprotein -7.76 -8.73 -8.98 25.87% CHEMBL348944
XIE5-2-35 NS5B_HCV1A Genome polyprotein -7.81 -10.45 -10.43 26.09% CHEMBL363650
XIE5-2-9 NS5B_HCV1A Genome polyprotein -7.13 -10.58 -10.58 24.34% CHEMBL3644920
XIE5-2-17 NS5B_HCV1A Genome polyprotein -7.78 -9.41 -9.72 22.01% CHEMBL363650
XIE2008 NS5B_HCV1B Genome polyprotein -7.57 -8.07 -7.34 20.69% CHEMBL3645182
XIE5-2-35 NS5B_HCV1B Genome polyprotein -8.19 -8.36 -7.51 30.81% CHEMBL3645194
XIE5-2-9 NS5B_HCV1B Genome polyprotein -8.95 -8.93 -8.14 30.39% CHEMBL3645194
XIE5-2-17 NS5B_HCV1B Genome polyprotein -8.00 -8.27 -8.22 29.00% CHEMBL3645182
XIE2008 NS5B_HCV2A Genome polyprotein -9.36 -9.13 N/A N/A N/A
XIE5-2-35 NS5B_HCV2A Genome polyprotein -10.34 -9.67 N/A N/A N/A
XIE5-2-9 NS5B_HCV2A Genome polyprotein -10.20 -9.11 N/A N/A N/A
XIE5-2-17 NS5B_HCV2A Genome polyprotein -9.85 -9.75 N/A N/A N/A
XIE2008 NSP15_SARS Replicase polyprotein 1ab -6.15 N/A N/A 32.91% CHEMBL471187
XIE5-2-35 NSP15_SARS Replicase polyprotein 1ab -6.17 N/A N/A 31.29% CHEMBL221366
XIE5-2-9 NSP15_SARS Replicase polyprotein 1ab -6.09 N/A N/A 27.97% CHEMBL221366
XIE5-2-17 NSP15_SARS Replicase polyprotein 1ab -6.27 N/A N/A 23.49% CHEMBL221366
XIE2008 NSP15_SARS2 Replicase polyprotein 1ab -7.06 N/A N/A N/A N/A
XIE5-2-35 NSP15_SARS2 Replicase polyprotein 1ab -7.39 N/A N/A N/A N/A
XIE5-2-9 NSP15_SARS2 Replicase polyprotein 1ab -6.38 N/A N/A N/A N/A
XIE5-2-17 NSP15_SARS2 Replicase polyprotein 1ab -6.90 N/A N/A N/A N/A
XIE2008 NSP1_INFB Non-structural protein 1 -5.08 -5.62 N/A N/A N/A
XIE5-2-35 NSP1_INFB Non-structural protein 1 -6.01 -6.01 N/A N/A N/A
XIE5-2-9 NSP1_INFB Non-structural protein 1 -6.09 -5.83 N/A N/A N/A
XIE5-2-17 NSP1_INFB Non-structural protein 1 -6.33 -5.77 N/A N/A N/A
XIE2008 NSP1_SARS Replicase polyprotein 1ab -6.02 N/A N/A 32.91% CHEMBL471187
XIE5-2-35 NSP1_SARS Replicase polyprotein 1ab -7.04 N/A N/A 31.29% CHEMBL221366
XIE5-2-9 NSP1_SARS Replicase polyprotein 1ab -5.74 N/A N/A 27.97% CHEMBL221366
XIE5-2-17 NSP1_SARS Replicase polyprotein 1ab -6.62 N/A N/A 23.49% CHEMBL221366
XIE2008 NSP3_HCoV-229E Replicase polyprotein 1a -8.40 N/A N/A N/A N/A
XIE5-2-35 NSP3_HCoV-229E Replicase polyprotein 1a -10.03 N/A N/A N/A N/A
XIE5-2-9 NSP3_HCoV-229E Replicase polyprotein 1a -9.78 N/A N/A N/A N/A
XIE5-2-17 NSP3_HCoV-229E Replicase polyprotein 1a -9.16 N/A N/A N/A N/A
XIE2008 NSP3_IBV Replicase polyprotein 1a -8.57 N/A N/A N/A N/A
XIE5-2-35 NSP3_IBV Replicase polyprotein 1a -9.31 N/A N/A N/A N/A
XIE5-2-9 NSP3_IBV Replicase polyprotein 1a -8.84 N/A N/A N/A N/A
XIE5-2-17 NSP3_IBV Replicase polyprotein 1a -8.92 N/A N/A N/A N/A
XIE2008 NSP3_MHV Replicase polyprotein 1ab -6.62 N/A N/A N/A N/A
XIE5-2-35 NSP3_MHV Replicase polyprotein 1ab -7.00 N/A N/A N/A N/A
XIE5-2-9 NSP3_MHV Replicase polyprotein 1ab -6.42 N/A N/A N/A N/A
XIE5-2-17 NSP3_MHV Replicase polyprotein 1ab -7.10 N/A N/A N/A N/A
XIE2008 NSP3_SARS2 Replicase polyprotein 1ab -7.13 N/A N/A N/A N/A
XIE5-2-35 NSP3_SARS2 Replicase polyprotein 1ab -7.91 N/A N/A N/A N/A
XIE5-2-9 NSP3_SARS2 Replicase polyprotein 1ab -7.68 N/A N/A N/A N/A
XIE5-2-17 NSP3_SARS2 Replicase polyprotein 1ab -7.78 N/A N/A N/A N/A
XIE2008 NSP9_HCoV-229E Replicase polyprotein 1ab -5.75 -6.00 N/A N/A N/A
XIE5-2-35 NSP9_HCoV-229E Replicase polyprotein 1ab -7.66 -5.71 N/A N/A N/A
XIE5-2-9 NSP9_HCoV-229E Replicase polyprotein 1ab -6.52 -5.74 N/A N/A N/A
XIE5-2-17 NSP9_HCoV-229E Replicase polyprotein 1ab -6.31 -5.94 N/A N/A N/A
XIE2008 PA_A-H17N10 Polymerase acidic protein -6.90 N/A N/A N/A N/A
XIE5-2-35 PA_A-H17N10 Polymerase acidic protein -7.64 N/A N/A N/A N/A
XIE5-2-9 PA_A-H17N10 Polymerase acidic protein -6.72 N/A N/A N/A N/A
XIE5-2-17 PA_A-H17N10 Polymerase acidic protein -6.30 N/A N/A N/A N/A
XIE2008 PA_A-H1N1 Polymerase acidic protein -8.01 -7.44 -7.18 N/A N/A
XIE5-2-35 PA_A-H1N1 Polymerase acidic protein -8.47 -7.64 -9.18 N/A N/A
XIE5-2-9 PA_A-H1N1 Polymerase acidic protein -7.04 -7.60 -8.61 N/A N/A
XIE5-2-17 PA_A-H1N1 Polymerase acidic protein -8.63 -7.63 -8.52 N/A N/A
XIE2008 PA_A-H5N1 Polymerase acidic protein -7.05 -7.36 -7.00 N/A N/A
XIE5-2-35 PA_A-H5N1 Polymerase acidic protein -7.77 -8.12 -8.26 N/A N/A
XIE5-2-9 PA_A-H5N1 Polymerase acidic protein -8.24 -6.83 -8.35 N/A N/A
XIE5-2-17 PA_A-H5N1 Polymerase acidic protein -7.28 -7.27 -7.79 N/A N/A
XIE2008 PA_INFA Polymerase acidic protein -8.77 -6.97 -6.90 33.33% CHEMBL3600947
XIE5-2-35 PA_INFA Polymerase acidic protein -9.59 -8.45 -7.06 28.24% CHEMBL3600948
XIE5-2-9 PA_INFA Polymerase acidic protein -9.07 -7.64 -7.22 31.67% CHEMBL3600948
XIE5-2-17 PA_INFA Polymerase acidic protein -8.96 -7.50 -6.65 30.65% CHEMBL3600947
XIE2008 PA_INFB Polymerase acidic protein -7.76 N/A N/A N/A N/A
XIE5-2-35 PA_INFB Polymerase acidic protein -8.40 N/A N/A N/A N/A
XIE5-2-9 PA_INFB Polymerase acidic protein -6.39 N/A N/A N/A N/A
XIE5-2-17 PA_INFB Polymerase acidic protein -6.60 N/A N/A N/A N/A
XIE2008 PB2_A-H3N2 Polymerase basic protein 2 -7.35 -7.88 N/A N/A N/A
XIE5-2-35 PB2_A-H3N2 Polymerase basic protein 2 -7.74 -8.65 N/A N/A N/A
XIE5-2-9 PB2_A-H3N2 Polymerase basic protein 2 -7.48 -7.90 N/A N/A N/A
XIE5-2-17 PB2_A-H3N2 Polymerase basic protein 2 -8.64 -8.07 N/A N/A N/A
XIE2008 PB2_A-H5N1 Polymerase basic protein 2 -6.80 -6.40 -7.55 N/A N/A
XIE5-2-35 PB2_A-H5N1 Polymerase basic protein 2 -7.92 -7.56 -8.55 N/A N/A
XIE5-2-9 PB2_A-H5N1 Polymerase basic protein 2 -8.72 -7.12 -8.41 N/A N/A
XIE5-2-17 PB2_A-H5N1 Polymerase basic protein 2 -7.29 -7.25 -8.09 N/A N/A
XIE2008 PB2_INFB Polymerase basic protein 2 -7.44 N/A N/A N/A N/A
XIE5-2-35 PB2_INFB Polymerase basic protein 2 -7.49 N/A N/A N/A N/A
XIE5-2-9 PB2_INFB Polymerase basic protein 2 -7.28 N/A N/A N/A N/A
XIE5-2-17 PB2_INFB Polymerase basic protein 2 -7.81 N/A N/A N/A N/A
XIE2008 PB3_A-H3N2 Polymerase basic protein 2 -6.98 N/A N/A N/A N/A
XIE5-2-35 PB3_A-H3N2 Polymerase basic protein 2 -8.62 N/A N/A N/A N/A
XIE5-2-9 PB3_A-H3N2 Polymerase basic protein 2 -8.07 N/A N/A N/A N/A
XIE5-2-17 PB3_A-H3N2 Polymerase basic protein 2 -8.27 N/A N/A N/A N/A
XIE2008 PB4_A-H3N2 Polymerase basic protein 2 -7.06 N/A N/A N/A N/A
XIE5-2-35 PB4_A-H3N2 Polymerase basic protein 2 -8.38 N/A N/A N/A N/A
XIE5-2-9 PB4_A-H3N2 Polymerase basic protein 2 -7.47 N/A N/A N/A N/A
XIE5-2-17 PB4_A-H3N2 Polymerase basic protein 2 -7.49 N/A N/A N/A N/A
XIE2008 PLP_SARS Replicase polyprotein 1a -8.63 -7.96 -8.78 27.91% CHEMBL222735
XIE5-2-35 PLP_SARS Replicase polyprotein 1a -9.15 -10.11 -10.50 44.36% CHEMBL222735
XIE5-2-9 PLP_SARS Replicase polyprotein 1a -9.99 -10.20 -8.61 41.09% CHEMBL222735
XIE5-2-17 PLP_SARS Replicase polyprotein 1a -9.37 -8.76 -9.32 30.71% CHEMBL222735
XIE2008 PLP_SARS2 papain-like protease -5.66 N/A N/A N/A N/A
XIE5-2-35 PLP_SARS2 papain-like protease -7.17 N/A N/A N/A N/A
XIE5-2-9 PLP_SARS2 papain-like protease -6.22 N/A N/A N/A N/A
XIE5-2-17 PLP_SARS2 papain-like protease -6.40 N/A N/A N/A N/A
XIE2008 PR_FCoV Replicase polyprotein 1ab -6.84 N/A N/A N/A N/A
XIE5-2-35 PR_FCoV Replicase polyprotein 1ab -7.17 N/A N/A N/A N/A
XIE5-2-9 PR_FCoV Replicase polyprotein 1ab -6.08 N/A N/A N/A N/A
XIE5-2-17 PR_FCoV Replicase polyprotein 1ab -6.93 N/A N/A N/A N/A
XIE2008 PR_HCoV-229E Replicase polyprotein 1a -7.53 -7.09 N/A N/A N/A
XIE5-2-35 PR_HCoV-229E Replicase polyprotein 1a -8.03 -7.02 N/A N/A N/A
XIE5-2-9 PR_HCoV-229E Replicase polyprotein 1a -6.42 -7.46 N/A N/A N/A
XIE5-2-17 PR_HCoV-229E Replicase polyprotein 1a -7.50 -7.36 N/A N/A N/A
XIE2008 PR_HCoV-NL63 Replicase polyprotein 1a -4.47 -6.73 N/A N/A N/A
XIE5-2-35 PR_HCoV-NL63 Replicase polyprotein 1a -6.06 -7.37 N/A N/A N/A
XIE5-2-9 PR_HCoV-NL63 Replicase polyprotein 1a -4.76 -6.13 N/A N/A N/A
XIE5-2-17 PR_HCoV-NL63 Replicase polyprotein 1a -4.69 -7.74 N/A N/A N/A
XIE2008 PR_HIV1 Gag-Pol polyprotein -6.36 -6.40 -6.19 24.86% CHEMBL510485
XIE5-2-35 PR_HIV1 Gag-Pol polyprotein -6.45 -7.00 -7.27 15.71% CHEMBL510485
XIE5-2-9 PR_HIV1 Gag-Pol polyprotein -6.10 -5.97 -7.01 17.09% CHEMBL510485
XIE5-2-17 PR_HIV1 Gag-Pol polyprotein -6.56 -6.74 -6.94 25.00% CHEMBL450294
XIE2008 PR_HIV2 Gag-Pol polyprotein -6.62 -6.40 N/A N/A N/A
XIE5-2-35 PR_HIV2 Gag-Pol polyprotein -7.49 -6.88 N/A N/A N/A
XIE5-2-9 PR_HIV2 Gag-Pol polyprotein -6.54 -6.90 N/A N/A N/A
XIE5-2-17 PR_HIV2 Gag-Pol polyprotein -7.06 -6.28 N/A N/A N/A
XIE2008 PR_HKU1 Replicase polyprotein 1a -7.69 N/A N/A N/A N/A
XIE5-2-35 PR_HKU1 Replicase polyprotein 1a -7.77 N/A N/A N/A N/A
XIE5-2-9 PR_HKU1 Replicase polyprotein 1a -5.53 N/A N/A N/A N/A
XIE5-2-17 PR_HKU1 Replicase polyprotein 1a -7.65 N/A N/A N/A N/A
XIE2008 PR_HKU4 Replicase polyprotein 1ab -6.20 -7.55 -7.00 N/A N/A
XIE5-2-35 PR_HKU4 Replicase polyprotein 1ab -7.83 -8.38 -7.34 N/A N/A
XIE5-2-9 PR_HKU4 Replicase polyprotein 1ab -6.09 -7.80 -6.88 N/A N/A
XIE5-2-17 PR_HKU4 Replicase polyprotein 1ab -6.52 -7.96 -7.43 N/A N/A
XIE2008 PR_IBV Replicase polyprotein 1a -7.07 N/A N/A N/A N/A
XIE5-2-35 PR_IBV Replicase polyprotein 1a -8.59 N/A N/A N/A N/A
XIE5-2-9 PR_IBV Replicase polyprotein 1a -8.20 N/A N/A N/A N/A
XIE5-2-17 PR_IBV Replicase polyprotein 1a -7.41 N/A N/A N/A N/A
XIE2008 PR_MERs 3C-like proteinase -7.42 -7.21 N/A N/A N/A
XIE5-2-35 PR_MERs 3C-like proteinase -7.69 -7.14 N/A N/A N/A
XIE5-2-9 PR_MERs 3C-like proteinase -6.72 -6.27 N/A N/A N/A
XIE5-2-17 PR_MERs 3C-like proteinase -7.83 -7.09 N/A N/A N/A
XIE2008 PR_PEDV 3C-like proteinase -6.93 N/A N/A N/A N/A
XIE5-2-35 PR_PEDV 3C-like proteinase -7.02 N/A N/A N/A N/A
XIE5-2-9 PR_PEDV 3C-like proteinase -7.77 N/A N/A N/A N/A
XIE5-2-17 PR_PEDV 3C-like proteinase -7.89 N/A N/A N/A N/A
XIE2008 PR_SARS Replicase polyprotein 1ab -7.06 -7.25 -6.98 32.91% CHEMBL471187
XIE5-2-35 PR_SARS Replicase polyprotein 1ab -6.64 -7.18 -7.58 31.29% CHEMBL221366
XIE5-2-9 PR_SARS Replicase polyprotein 1ab -6.17 -7.02 -7.63 27.97% CHEMBL221366
XIE5-2-17 PR_SARS Replicase polyprotein 1ab -7.43 -7.40 -7.42 23.49% CHEMBL221366
XIE2008 PR_SARS2 3C-like protease -7.03 N/A N/A N/A N/A
XIE5-2-35 PR_SARS2 3C-like protease -7.35 N/A N/A N/A N/A
XIE5-2-9 PR_SARS2 3C-like protease -6.37 N/A N/A N/A N/A
XIE5-2-17 PR_SARS2 3C-like protease -7.26 N/A N/A N/A N/A
XIE2008 PR_TGEV Replicase polyprotein 1a -7.31 N/A N/A N/A N/A
XIE5-2-35 PR_TGEV Replicase polyprotein 1a -7.24 N/A N/A N/A N/A
XIE5-2-9 PR_TGEV Replicase polyprotein 1a -8.13 N/A N/A N/A N/A
XIE5-2-17 PR_TGEV Replicase polyprotein 1a -7.61 N/A N/A N/A N/A
XIE2008 RDRP_SARS2 RNA-dependent RNA polymerase -5.97 N/A N/A 15.90% CHEMBL4065616
XIE5-2-35 RDRP_SARS2 RNA-dependent RNA polymerase -6.19 N/A N/A 16.78% CHEMBL4065616
XIE5-2-9 RDRP_SARS2 RNA-dependent RNA polymerase -5.94 N/A N/A 14.62% CHEMBL4065616
XIE5-2-17 RDRP_SARS2 RNA-dependent RNA polymerase -5.94 N/A N/A 15.33% CHEMBL4065616
XIE2008 RT_HIV1 Gag-Pol polyprotein -9.42 -9.44 -9.87 24.22% CHEMBL4226544
XIE5-2-35 RT_HIV1 Gag-Pol polyprotein -10.38 -10.31 -10.06 27.98% CHEMBL4227326
XIE5-2-9 RT_HIV1 Gag-Pol polyprotein -10.64 -9.85 -8.48 26.11% CHEMBL4291913
XIE5-2-17 RT_HIV1 Gag-Pol polyprotein -9.98 -10.12 -9.58 32.17% CHEMBL4225614
XIE2008 SPIKE_HCoV-229E Spike glycoprotein -5.48 N/A N/A N/A N/A
XIE5-2-35 SPIKE_HCoV-229E Spike glycoprotein -6.04 N/A N/A N/A N/A
XIE5-2-9 SPIKE_HCoV-229E Spike glycoprotein -5.43 N/A N/A N/A N/A
XIE5-2-17 SPIKE_HCoV-229E Spike glycoprotein -5.57 N/A N/A N/A N/A
XIE2008 SPIKE_HCoV-NL63 Spike glycoprotein -5.44 N/A N/A N/A N/A
XIE5-2-35 SPIKE_HCoV-NL63 Spike glycoprotein -6.42 N/A N/A N/A N/A
XIE5-2-9 SPIKE_HCoV-NL63 Spike glycoprotein -6.15 N/A N/A N/A N/A
XIE5-2-17 SPIKE_HCoV-NL63 Spike glycoprotein -6.67 N/A N/A N/A N/A
XIE2008 SPIKE_HCoV-OC43 Spike glycoprotein -6.26 N/A N/A N/A N/A
XIE5-2-35 SPIKE_HCoV-OC43 Spike glycoprotein -7.06 N/A N/A N/A N/A
XIE5-2-9 SPIKE_HCoV-OC43 Spike glycoprotein -5.49 N/A N/A N/A N/A
XIE5-2-17 SPIKE_HCoV-OC43 Spike glycoprotein -6.40 N/A N/A N/A N/A
XIE2008 SPIKE_HKU4 Spike glycoprotein -6.69 N/A N/A N/A N/A
XIE5-2-35 SPIKE_HKU4 Spike glycoprotein -7.77 N/A N/A N/A N/A
XIE5-2-9 SPIKE_HKU4 Spike glycoprotein -7.33 N/A N/A N/A N/A
XIE5-2-17 SPIKE_HKU4 Spike glycoprotein -6.95 N/A N/A N/A N/A
XIE2008 SPIKE_IBV Spike glycoprotein -5.68 N/A N/A N/A N/A
XIE5-2-35 SPIKE_IBV Spike glycoprotein -6.83 N/A N/A N/A N/A
XIE5-2-9 SPIKE_IBV Spike glycoprotein -6.46 N/A N/A N/A N/A
XIE5-2-17 SPIKE_IBV Spike glycoprotein -6.11 N/A N/A N/A N/A
XIE2008 SPIKE_MERs Spike glycoprotein -6.52 -5.54 -5.36 N/A N/A
XIE5-2-35 SPIKE_MERs Spike glycoprotein -6.79 -6.34 -5.98 N/A N/A
XIE5-2-9 SPIKE_MERs Spike glycoprotein -6.72 -6.43 -6.78 N/A N/A
XIE5-2-17 SPIKE_MERs Spike glycoprotein -6.80 -5.96 -5.33 N/A N/A
XIE2008 SPIKE_MHV Spike glycoprotein -6.08 N/A N/A N/A N/A
XIE5-2-35 SPIKE_MHV Spike glycoprotein -6.95 N/A N/A N/A N/A
XIE5-2-9 SPIKE_MHV Spike glycoprotein -6.26 N/A N/A N/A N/A
XIE5-2-17 SPIKE_MHV Spike glycoprotein -5.78 N/A N/A N/A N/A
XIE2008 SPIKE_PDCoV Spike protein -5.66 N/A N/A N/A N/A
XIE5-2-35 SPIKE_PDCoV Spike protein -7.11 N/A N/A N/A N/A
XIE5-2-9 SPIKE_PDCoV Spike protein -6.15 N/A N/A N/A N/A
XIE5-2-17 SPIKE_PDCoV Spike protein -6.01 N/A N/A N/A N/A
XIE2008 SPIKE_SARS Spike glycoprotein -5.49 -5.47 N/A N/A N/A
XIE5-2-35 SPIKE_SARS Spike glycoprotein -6.01 -5.64 N/A N/A N/A
XIE5-2-9 SPIKE_SARS Spike glycoprotein -5.98 -5.63 N/A N/A N/A
XIE5-2-17 SPIKE_SARS Spike glycoprotein -5.94 -5.82 N/A N/A N/A
XIE2008 SPIKE_SARS2 Spike glycoprotein -5.92 -5.61 -5.99 N/A N/A
XIE5-2-35 SPIKE_SARS2 Spike glycoprotein -6.19 -5.62 -6.29 N/A N/A
XIE5-2-9 SPIKE_SARS2 Spike glycoprotein -5.34 -5.71 -5.65 N/A N/A
XIE5-2-17 SPIKE_SARS2 Spike glycoprotein -5.81 -5.60 -6.29 N/A N/A