RG2_VIRAL_3 #308 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
LIGAND 137 ACE2_HUMAN angiotensin converting enzyme 2 -13.00 N/A N/A 17.52% CHEMBL400527
LIGAND_65 ACE2_HUMAN angiotensin converting enzyme 2 -11.26 N/A N/A 27.80% CHEMBL254493
LIGAND 70 ACE2_HUMAN angiotensin converting enzyme 2 -10.15 N/A N/A 24.04% CHEMBL252009
LIGAND 40 ACE2_HUMAN angiotensin converting enzyme 2 -9.25 N/A N/A 21.15% CHEMBL411298
LIGAND 137 GP160_HIV1 Envelope glycoprotein gp160 -8.28 -8.89 -8.73 N/A N/A
LIGAND_65 GP160_HIV1 Envelope glycoprotein gp160 -6.21 -8.08 -6.69 N/A N/A
LIGAND 70 GP160_HIV1 Envelope glycoprotein gp160 -9.00 -6.70 -6.98 N/A N/A
LIGAND 40 GP160_HIV1 Envelope glycoprotein gp160 -6.78 -6.84 -6.74 N/A N/A
LIGAND 137 GP160_HIV2 Envelope glycoprotein gp160 -9.36 N/A N/A N/A N/A
LIGAND_65 GP160_HIV2 Envelope glycoprotein gp160 -6.94 N/A N/A N/A N/A
LIGAND 70 GP160_HIV2 Envelope glycoprotein gp160 -6.27 N/A N/A N/A N/A
LIGAND 40 GP160_HIV2 Envelope glycoprotein gp160 -7.24 N/A N/A N/A N/A
LIGAND 137 GP_EBOV Envelope glycoprotein -9.29 61.59 -5.48 14.94% CHEMBL3125895
LIGAND_65 GP_EBOV Envelope glycoprotein -9.22 -7.70 -8.20 27.70% CHEMBL3125898
LIGAND 70 GP_EBOV Envelope glycoprotein -8.08 -7.22 -7.59 17.97% CHEMBL3125899
LIGAND 40 GP_EBOV Envelope glycoprotein -7.58 -7.59 -7.99 22.34% CHEMBL3125898
LIGAND 137 HA_A-H10N7 Hemagglutinin -8.36 N/A N/A N/A N/A
LIGAND_65 HA_A-H10N7 Hemagglutinin -7.45 N/A N/A N/A N/A
LIGAND 70 HA_A-H10N7 Hemagglutinin -8.81 N/A N/A N/A N/A
LIGAND 40 HA_A-H10N7 Hemagglutinin -7.53 N/A N/A N/A N/A
LIGAND 137 HA_A-H10N8 Hemagglutinin -7.81 N/A N/A N/A N/A
LIGAND_65 HA_A-H10N8 Hemagglutinin -6.13 N/A N/A N/A N/A
LIGAND 70 HA_A-H10N8 Hemagglutinin -7.66 N/A N/A N/A N/A
LIGAND 40 HA_A-H10N8 Hemagglutinin -6.92 N/A N/A N/A N/A
LIGAND 137 HA_A-H13N6 Hemagglutinin ? N/A N/A N/A N/A
LIGAND_65 HA_A-H13N6 Hemagglutinin -5.40 N/A N/A N/A N/A
LIGAND 70 HA_A-H13N6 Hemagglutinin -7.77 N/A N/A N/A N/A
LIGAND 40 HA_A-H13N6 Hemagglutinin -7.16 N/A N/A N/A N/A
LIGAND 137 HA_A-H14N6 Hemagglutinin -7.24 N/A N/A N/A N/A
LIGAND_65 HA_A-H14N6 Hemagglutinin -6.40 N/A N/A N/A N/A
LIGAND 70 HA_A-H14N6 Hemagglutinin -6.48 N/A N/A N/A N/A
LIGAND 40 HA_A-H14N6 Hemagglutinin -6.52 N/A N/A N/A N/A
LIGAND 137 HA_A-H15N9 Hemagglutinin -9.73 N/A N/A N/A N/A
LIGAND_65 HA_A-H15N9 Hemagglutinin -5.94 N/A N/A N/A N/A
LIGAND 70 HA_A-H15N9 Hemagglutinin -7.61 N/A N/A N/A N/A
LIGAND 40 HA_A-H15N9 Hemagglutinin -7.14 N/A N/A N/A N/A
LIGAND 137 HA_A-H17N10 Hemagglutinin -7.59 N/A N/A N/A N/A
LIGAND_65 HA_A-H17N10 Hemagglutinin -6.40 N/A N/A N/A N/A
LIGAND 70 HA_A-H17N10 Hemagglutinin -6.28 N/A N/A N/A N/A
LIGAND 40 HA_A-H17N10 Hemagglutinin -6.35 N/A N/A N/A N/A
LIGAND 137 HA_A-H18N11 Hemagglutinin -9.08 N/A N/A N/A N/A
LIGAND_65 HA_A-H18N11 Hemagglutinin -5.81 N/A N/A N/A N/A
LIGAND 70 HA_A-H18N11 Hemagglutinin -7.57 N/A N/A N/A N/A
LIGAND 40 HA_A-H18N11 Hemagglutinin -6.15 N/A N/A N/A N/A
LIGAND 137 HA_A-H1N1 Hemagglutinin -8.06 -8.33 N/A N/A N/A
LIGAND_65 HA_A-H1N1 Hemagglutinin -6.97 -6.30 N/A N/A N/A
LIGAND 70 HA_A-H1N1 Hemagglutinin -7.11 -7.07 N/A N/A N/A
LIGAND 40 HA_A-H1N1 Hemagglutinin -6.99 -6.72 N/A N/A N/A
LIGAND 137 HA_A-H2N2 Hemagglutinin -9.02 -9.47 N/A N/A N/A
LIGAND_65 HA_A-H2N2 Hemagglutinin -7.28 -5.87 N/A N/A N/A
LIGAND 70 HA_A-H2N2 Hemagglutinin -7.09 -6.37 N/A N/A N/A
LIGAND 40 HA_A-H2N2 Hemagglutinin -7.17 -6.94 N/A N/A N/A
LIGAND 137 HA_A-H3N2 Hemagglutinin -9.10 -8.77 -7.45 N/A N/A
LIGAND_65 HA_A-H3N2 Hemagglutinin -6.63 -6.61 -6.84 N/A N/A
LIGAND 70 HA_A-H3N2 Hemagglutinin -7.58 -7.63 -7.64 N/A N/A
LIGAND 40 HA_A-H3N2 Hemagglutinin -7.21 -6.49 -6.71 N/A N/A
LIGAND 137 HA_A-H3N8 Hemagglutinin -8.23 -8.17 -8.30 N/A N/A
LIGAND_65 HA_A-H3N8 Hemagglutinin -5.62 -6.56 -6.52 N/A N/A
LIGAND 70 HA_A-H3N8 Hemagglutinin -5.63 -6.13 -7.01 N/A N/A
LIGAND 40 HA_A-H3N8 Hemagglutinin -6.63 -7.00 -6.35 N/A N/A
LIGAND 137 HA_A-H5N1 Hemagglutinin -8.73 -9.24 -7.00 N/A N/A
LIGAND_65 HA_A-H5N1 Hemagglutinin -7.20 -6.92 -6.59 N/A N/A
LIGAND 70 HA_A-H5N1 Hemagglutinin -6.72 -6.35 -7.65 N/A N/A
LIGAND 40 HA_A-H5N1 Hemagglutinin -7.75 -7.23 -7.35 N/A N/A
LIGAND 137 HA_A-H5N3 Hemagglutinin -8.12 -5.70 N/A N/A N/A
LIGAND_65 HA_A-H5N3 Hemagglutinin -6.05 -5.96 N/A N/A N/A
LIGAND 70 HA_A-H5N3 Hemagglutinin -6.98 -6.43 N/A N/A N/A
LIGAND 40 HA_A-H5N3 Hemagglutinin -7.16 -6.77 N/A N/A N/A
LIGAND 137 HA_A-H6N1 Hemagglutinin -7.81 N/A N/A N/A N/A
LIGAND_65 HA_A-H6N1 Hemagglutinin -6.13 N/A N/A N/A N/A
LIGAND 70 HA_A-H6N1 Hemagglutinin -7.66 N/A N/A N/A N/A
LIGAND 40 HA_A-H6N1 Hemagglutinin -6.92 N/A N/A N/A N/A
LIGAND 137 HA_A-H6N6 Hemagglutinin -8.02 N/A N/A N/A N/A
LIGAND_65 HA_A-H6N6 Hemagglutinin -5.98 N/A N/A N/A N/A
LIGAND 70 HA_A-H6N6 Hemagglutinin -6.94 N/A N/A N/A N/A
LIGAND 40 HA_A-H6N6 Hemagglutinin -6.70 N/A N/A N/A N/A
LIGAND 137 HA_A-H7N2 Hemagglutinin -8.11 -6.90 ? N/A N/A
LIGAND_65 HA_A-H7N2 Hemagglutinin -6.07 -5.73 -6.60 N/A N/A
LIGAND 70 HA_A-H7N2 Hemagglutinin -5.91 -6.32 -5.94 N/A N/A
LIGAND 40 HA_A-H7N2 Hemagglutinin -6.96 -6.50 -6.78 N/A N/A
LIGAND 137 HA_A-H7N7 Hemagglutinin -7.60 -7.90 N/A N/A N/A
LIGAND_65 HA_A-H7N7 Hemagglutinin -6.19 -6.31 N/A N/A N/A
LIGAND 70 HA_A-H7N7 Hemagglutinin -6.91 -7.48 N/A N/A N/A
LIGAND 40 HA_A-H7N7 Hemagglutinin -6.72 -7.12 N/A N/A N/A
LIGAND 137 HA_A-H7N9 Hemagglutinin -8.71 N/A N/A N/A N/A
LIGAND_65 HA_A-H7N9 Hemagglutinin -6.06 N/A N/A N/A N/A
LIGAND 70 HA_A-H7N9 Hemagglutinin -8.30 N/A N/A N/A N/A
LIGAND 40 HA_A-H7N9 Hemagglutinin -6.94 N/A N/A N/A N/A
LIGAND 137 HA_INFB Hemagglutinin -8.95 -7.50 N/A N/A N/A
LIGAND_65 HA_INFB Hemagglutinin -7.10 -6.65 N/A N/A N/A
LIGAND 70 HA_INFB Hemagglutinin -7.79 -7.53 N/A N/A N/A
LIGAND 40 HA_INFB Hemagglutinin -6.79 -6.80 N/A N/A N/A
LIGAND 137 HA_INFD Hemagglutinin-esterase-fusion glycoprotein ? N/A N/A N/A N/A
LIGAND_65 HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.76 N/A N/A N/A N/A
LIGAND 70 HA_INFD Hemagglutinin-esterase-fusion glycoprotein -8.42 N/A N/A N/A N/A
LIGAND 40 HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.18 N/A N/A N/A N/A
LIGAND 137 HE_BCV Hemagglutinin-esterase -7.36 -7.16 N/A N/A N/A
LIGAND_65 HE_BCV Hemagglutinin-esterase -6.21 -6.11 N/A N/A N/A
LIGAND 70 HE_BCV Hemagglutinin-esterase -7.57 -7.26 N/A N/A N/A
LIGAND 40 HE_BCV Hemagglutinin-esterase -7.01 -7.08 N/A N/A N/A
LIGAND 137 HE_HCoV-OC43 Hemagglutinin-esterase -8.93 N/A N/A N/A N/A
LIGAND_65 HE_HCoV-OC43 Hemagglutinin-esterase -5.80 N/A N/A N/A N/A
LIGAND 70 HE_HCoV-OC43 Hemagglutinin-esterase -6.61 N/A N/A N/A N/A
LIGAND 40 HE_HCoV-OC43 Hemagglutinin-esterase -5.91 N/A N/A N/A N/A
LIGAND 137 HE_MHV Hemagglutinin-esterase -8.53 N/A N/A N/A N/A
LIGAND_65 HE_MHV Hemagglutinin-esterase -6.61 N/A N/A N/A N/A
LIGAND 70 HE_MHV Hemagglutinin-esterase -6.11 N/A N/A N/A N/A
LIGAND 40 HE_MHV Hemagglutinin-esterase -6.30 N/A N/A N/A N/A
LIGAND 137 IN_HIV1 Gag-Pol polyprotein -6.67 -7.71 N/A N/A N/A
LIGAND_65 IN_HIV1 Gag-Pol polyprotein -5.52 -6.20 N/A N/A N/A
LIGAND 70 IN_HIV1 Gag-Pol polyprotein -5.71 -6.84 N/A N/A N/A
LIGAND 40 IN_HIV1 Gag-Pol polyprotein -5.52 -5.60 N/A N/A N/A
LIGAND 137 MD_HKU4 Replicase polyprotein 1ab -9.13 -9.97 -9.95 N/A N/A
LIGAND_65 MD_HKU4 Replicase polyprotein 1ab -8.04 -7.50 -8.20 N/A N/A
LIGAND 70 MD_HKU4 Replicase polyprotein 1ab -8.82 -8.19 -8.81 N/A N/A
LIGAND 40 MD_HKU4 Replicase polyprotein 1ab -9.14 -8.98 -8.85 N/A N/A
LIGAND 137 MD_MERs Replicase polyprotein 1a -9.39 -10.60 N/A N/A N/A
LIGAND_65 MD_MERs Replicase polyprotein 1a -8.60 -8.76 N/A N/A N/A
LIGAND 70 MD_MERs Replicase polyprotein 1a -8.99 -9.90 N/A N/A N/A
LIGAND 40 MD_MERs Replicase polyprotein 1a -9.14 -8.58 N/A N/A N/A
LIGAND 137 MTASE_SARS2 Methyltransferase -7.64 N/A N/A N/A N/A
LIGAND 137 MTASE_SARS2 Methyltransferase -10.77 N/A N/A N/A N/A
LIGAND_65 MTASE_SARS2 Methyltransferase -7.16 N/A N/A N/A N/A
LIGAND_65 MTASE_SARS2 Methyltransferase -8.23 N/A N/A N/A N/A
LIGAND 70 MTASE_SARS2 Methyltransferase -6.71 N/A N/A N/A N/A
LIGAND 70 MTASE_SARS2 Methyltransferase -8.60 N/A N/A N/A N/A
LIGAND 40 MTASE_SARS2 Methyltransferase -7.36 N/A N/A N/A N/A
LIGAND 40 MTASE_SARS2 Methyltransferase -7.89 N/A N/A N/A N/A
LIGAND 137 MX2_A-H5N1 Matrix protein 2 ? N/A N/A N/A N/A
LIGAND_65 MX2_A-H5N1 Matrix protein 2 ? N/A N/A N/A N/A
LIGAND 70 MX2_A-H5N1 Matrix protein 2 29.33 N/A N/A N/A N/A
LIGAND 40 MX2_A-H5N1 Matrix protein 2 -9.38 N/A N/A N/A N/A
LIGAND 137 NA_A-H11N6 Neuraminidase ? ? ? N/A N/A
LIGAND_65 NA_A-H11N6 Neuraminidase -7.18 -7.77 -7.71 N/A N/A
LIGAND 70 NA_A-H11N6 Neuraminidase -9.00 -7.92 -7.68 N/A N/A
LIGAND 40 NA_A-H11N6 Neuraminidase -8.90 -8.75 -8.39 N/A N/A
LIGAND 137 NA_A-H11N9 Neuraminidase -8.31 ? ? N/A N/A
LIGAND_65 NA_A-H11N9 Neuraminidase -5.74 -8.27 -8.31 N/A N/A
LIGAND 70 NA_A-H11N9 Neuraminidase -6.41 -9.68 -8.05 N/A N/A
LIGAND 40 NA_A-H11N9 Neuraminidase -6.88 -8.90 -8.94 N/A N/A
LIGAND 137 NA_A-H12N5 Neuraminidase 14.89 ? ? N/A N/A
LIGAND_65 NA_A-H12N5 Neuraminidase -7.67 -7.88 -8.22 N/A N/A
LIGAND 70 NA_A-H12N5 Neuraminidase -8.59 -8.20 -8.35 N/A N/A
LIGAND 40 NA_A-H12N5 Neuraminidase -8.52 -9.14 -8.95 N/A N/A
LIGAND 137 NA_A-H13N9 Neuraminidase -9.85 N/A N/A N/A N/A
LIGAND_65 NA_A-H13N9 Neuraminidase -6.44 N/A N/A N/A N/A
LIGAND 70 NA_A-H13N9 Neuraminidase -7.70 N/A N/A N/A N/A
LIGAND 40 NA_A-H13N9 Neuraminidase -7.67 N/A N/A N/A N/A
LIGAND 137 NA_A-H17N10 Neuraminidase ? N/A N/A N/A N/A
LIGAND_65 NA_A-H17N10 Neuraminidase -7.37 N/A N/A N/A N/A
LIGAND 70 NA_A-H17N10 Neuraminidase -8.82 N/A N/A N/A N/A
LIGAND 40 NA_A-H17N10 Neuraminidase -7.65 N/A N/A N/A N/A
LIGAND 137 NA_A-H18N11 Neuraminidase -5.97 N/A N/A N/A N/A
LIGAND_65 NA_A-H18N11 Neuraminidase -6.80 N/A N/A N/A N/A
LIGAND 70 NA_A-H18N11 Neuraminidase -8.25 N/A N/A N/A N/A
LIGAND 40 NA_A-H18N11 Neuraminidase -7.00 N/A N/A N/A N/A
LIGAND 137 NA_A-H1N1 Neuraminidase -8.53 N/A N/A N/A N/A
LIGAND_65 NA_A-H1N1 Neuraminidase -8.94 N/A N/A N/A N/A
LIGAND 70 NA_A-H1N1 Neuraminidase -10.64 N/A N/A N/A N/A
LIGAND 40 NA_A-H1N1 Neuraminidase -8.44 N/A N/A N/A N/A
LIGAND 137 NA_A-H2N2 Neuraminidase ? ? ? N/A N/A
LIGAND_65 NA_A-H2N2 Neuraminidase -8.43 -9.24 -8.63 N/A N/A
LIGAND 70 NA_A-H2N2 Neuraminidase -8.87 -9.42 -9.31 N/A N/A
LIGAND 40 NA_A-H2N2 Neuraminidase -8.51 -8.25 -8.04 N/A N/A
LIGAND 137 NA_A-H3N2 Ig heavy chain Mem5 -10.18 -9.38 N/A N/A N/A
LIGAND_65 NA_A-H3N2 Ig heavy chain Mem5 -7.87 -7.44 N/A N/A N/A
LIGAND 70 NA_A-H3N2 Ig heavy chain Mem5 -9.03 -7.70 N/A N/A N/A
LIGAND 40 NA_A-H3N2 Ig heavy chain Mem5 -7.41 -8.52 N/A N/A N/A
LIGAND 137 NA_A-H3N8 Neuraminidase 28.36 -7.94 ? N/A N/A
LIGAND_65 NA_A-H3N8 Neuraminidase -8.95 -9.61 -8.15 N/A N/A
LIGAND 70 NA_A-H3N8 Neuraminidase -9.93 -9.73 -9.76 N/A N/A
LIGAND 40 NA_A-H3N8 Neuraminidase -8.75 -8.71 -8.74 N/A N/A
LIGAND 137 NA_A-H5N1 Neuraminidase 39.28 N/A N/A N/A N/A
LIGAND_65 NA_A-H5N1 Neuraminidase -9.38 N/A N/A N/A N/A
LIGAND 70 NA_A-H5N1 Neuraminidase -8.88 N/A N/A N/A N/A
LIGAND 40 NA_A-H5N1 Neuraminidase -8.41 N/A N/A N/A N/A
LIGAND 137 NA_A-H7N9 Neuraminidase 33.39 ? ? N/A N/A
LIGAND_65 NA_A-H7N9 Neuraminidase -8.14 -7.97 -8.94 N/A N/A
LIGAND 70 NA_A-H7N9 Neuraminidase -9.04 -8.07 -9.62 N/A N/A
LIGAND 40 NA_A-H7N9 Neuraminidase -8.01 -8.81 -8.73 N/A N/A
LIGAND 137 NA_INFB Neuraminidase ? ? N/A ? ?
LIGAND_65 NA_INFB Neuraminidase -7.67 -6.94 N/A 36.54% CHEMBL183817
LIGAND 70 NA_INFB Neuraminidase -8.76 -7.46 N/A 23.40% CHEMBL113191
LIGAND 40 NA_INFB Neuraminidase -8.45 -8.27 N/A 28.80% CHEMBL222813
LIGAND 137 NP_A-H1N1 Nucleoprotein -6.54 -6.04 -7.44 N/A N/A
LIGAND_65 NP_A-H1N1 Nucleoprotein -5.20 -7.41 -6.74 N/A N/A
LIGAND 70 NP_A-H1N1 Nucleoprotein -7.06 -7.87 -8.21 N/A N/A
LIGAND 40 NP_A-H1N1 Nucleoprotein -6.58 -6.75 -6.85 N/A N/A
LIGAND 137 NP_A-H5N1 Nucleoprotein -8.46 N/A N/A N/A N/A
LIGAND_65 NP_A-H5N1 Nucleoprotein -6.83 N/A N/A N/A N/A
LIGAND 70 NP_A-H5N1 Nucleoprotein -8.64 N/A N/A N/A N/A
LIGAND 40 NP_A-H5N1 Nucleoprotein -7.03 N/A N/A N/A N/A
LIGAND 137 NP_HCoV-NL63 Nucleoprotein -6.02 N/A N/A N/A N/A
LIGAND_65 NP_HCoV-NL63 Nucleoprotein -7.24 N/A N/A N/A N/A
LIGAND 70 NP_HCoV-NL63 Nucleoprotein -7.90 N/A N/A N/A N/A
LIGAND 40 NP_HCoV-NL63 Nucleoprotein -7.20 N/A N/A N/A N/A
LIGAND 137 NP_HCoV-OC43 Nucleoprotein -11.20 -5.35 14.04 13.39% CHEMBL3233481
LIGAND_65 NP_HCoV-OC43 Nucleoprotein -7.88 -6.64 -7.35 10.68% CHEMBL3233481
LIGAND 70 NP_HCoV-OC43 Nucleoprotein -8.94 -8.46 -8.40 7.93% CHEMBL3233481
LIGAND 40 NP_HCoV-OC43 Nucleoprotein -8.54 -7.24 -6.88 11.40% CHEMBL3233481
LIGAND 137 NP_INFB Nucleoprotein -7.01 N/A N/A N/A N/A
LIGAND_65 NP_INFB Nucleoprotein -6.04 N/A N/A N/A N/A
LIGAND 70 NP_INFB Nucleoprotein -5.73 N/A N/A N/A N/A
LIGAND 40 NP_INFB Nucleoprotein -5.96 N/A N/A N/A N/A
LIGAND 137 NP_INFD NP -6.47 N/A N/A N/A N/A
LIGAND_65 NP_INFD NP -5.29 N/A N/A N/A N/A
LIGAND 70 NP_INFD NP -6.08 N/A N/A N/A N/A
LIGAND 40 NP_INFD NP -5.61 N/A N/A N/A N/A
LIGAND 137 NP_SARS Nucleoprotein -8.36 N/A N/A N/A N/A
LIGAND_65 NP_SARS Nucleoprotein -8.36 N/A N/A N/A N/A
LIGAND 70 NP_SARS Nucleoprotein -7.83 N/A N/A N/A N/A
LIGAND 40 NP_SARS Nucleoprotein -7.75 N/A N/A N/A N/A
LIGAND 137 NS3_HCV1A Genome polyprotein -10.14 -9.15 -9.68 17.90% CHEMBL3891173
LIGAND_65 NS3_HCV1A Genome polyprotein -7.31 -7.01 -6.90 32.75% CHEMBL3696817
LIGAND 70 NS3_HCV1A Genome polyprotein -6.67 -7.25 -7.40 31.74% CHEMBL4110238
LIGAND 40 NS3_HCV1A Genome polyprotein -8.08 -7.53 -7.88 46.55% CHEMBL3696817
LIGAND 137 NS3_HCV1B Genome polyprotein -9.71 -10.50 -8.77 19.12% CHEMBL1170417
LIGAND_65 NS3_HCV1B Genome polyprotein -8.73 -7.52 -6.31 30.86% CHEMBL3954962
LIGAND 70 NS3_HCV1B Genome polyprotein -7.60 -8.26 -6.93 20.52% CHEMBL1170408
LIGAND 40 NS3_HCV1B Genome polyprotein -8.41 -7.07 -7.11 26.22% CHEMBL3125634
LIGAND 137 NS3_HCV3A Genome polyprotein -9.95 -9.48 -9.55 N/A N/A
LIGAND_65 NS3_HCV3A Genome polyprotein -6.90 -7.81 -6.34 N/A N/A
LIGAND 70 NS3_HCV3A Genome polyprotein -7.15 -7.68 -7.94 N/A N/A
LIGAND 40 NS3_HCV3A Genome polyprotein -7.61 -7.57 -7.44 N/A N/A
LIGAND 137 NS5B_HCV1A Genome polyprotein -11.33 -11.17 -11.45 20.53% CHEMBL354813
LIGAND_65 NS5B_HCV1A Genome polyprotein -8.92 -9.82 -9.84 28.15% CHEMBL348944
LIGAND 70 NS5B_HCV1A Genome polyprotein -9.63 -9.83 -10.96 24.85% CHEMBL446360
LIGAND 40 NS5B_HCV1A Genome polyprotein -8.56 -8.52 -8.30 25.61% CHEMBL3644940
LIGAND 137 NS5B_HCV1B Genome polyprotein -10.93 -9.78 -8.85 17.84% CHEMBL3645203
LIGAND_65 NS5B_HCV1B Genome polyprotein -7.73 -8.55 -8.44 31.37% CHEMBL3645211
LIGAND 70 NS5B_HCV1B Genome polyprotein -8.66 -9.03 -8.29 20.34% CHEMBL3645203
LIGAND 40 NS5B_HCV1B Genome polyprotein -7.91 -8.02 -7.93 31.23% CHEMBL3970609
LIGAND 137 NS5B_HCV2A Genome polyprotein -10.97 26.63 N/A N/A N/A
LIGAND_65 NS5B_HCV2A Genome polyprotein -9.63 -1.68 N/A N/A N/A
LIGAND 70 NS5B_HCV2A Genome polyprotein -10.35 -2.94 N/A N/A N/A
LIGAND 40 NS5B_HCV2A Genome polyprotein -9.36 -10.06 N/A N/A N/A
LIGAND 137 NSP15_SARS Replicase polyprotein 1ab ? N/A N/A ? ?
LIGAND_65 NSP15_SARS Replicase polyprotein 1ab -6.97 N/A N/A 27.80% CHEMBL2441741
LIGAND 70 NSP15_SARS Replicase polyprotein 1ab -7.48 N/A N/A 28.89% CHEMBL1092796
LIGAND 40 NSP15_SARS Replicase polyprotein 1ab -6.99 N/A N/A 15.71% CHEMBL2441745
LIGAND 137 NSP15_SARS2 Replicase polyprotein 1ab ? N/A N/A N/A N/A
LIGAND_65 NSP15_SARS2 Replicase polyprotein 1ab -7.22 N/A N/A N/A N/A
LIGAND 70 NSP15_SARS2 Replicase polyprotein 1ab -8.03 N/A N/A N/A N/A
LIGAND 40 NSP15_SARS2 Replicase polyprotein 1ab -7.43 N/A N/A N/A N/A
LIGAND 137 NSP1_INFB Non-structural protein 1 -7.79 -8.58 N/A N/A N/A
LIGAND_65 NSP1_INFB Non-structural protein 1 -7.62 -8.03 N/A N/A N/A
LIGAND 70 NSP1_INFB Non-structural protein 1 -6.72 -7.46 N/A N/A N/A
LIGAND 40 NSP1_INFB Non-structural protein 1 -6.25 -6.24 N/A N/A N/A
LIGAND 137 NSP1_SARS Replicase polyprotein 1ab ? N/A N/A ? ?
LIGAND_65 NSP1_SARS Replicase polyprotein 1ab -5.46 N/A N/A 27.80% CHEMBL2441741
LIGAND 70 NSP1_SARS Replicase polyprotein 1ab -5.81 N/A N/A 28.89% CHEMBL1092796
LIGAND 40 NSP1_SARS Replicase polyprotein 1ab -6.97 N/A N/A 15.71% CHEMBL2441745
LIGAND 137 NSP3_HCoV-229E Replicase polyprotein 1a -10.51 N/A N/A N/A N/A
LIGAND_65 NSP3_HCoV-229E Replicase polyprotein 1a -8.60 N/A N/A N/A N/A
LIGAND 70 NSP3_HCoV-229E Replicase polyprotein 1a -9.78 N/A N/A N/A N/A
LIGAND 40 NSP3_HCoV-229E Replicase polyprotein 1a -9.09 N/A N/A N/A N/A
LIGAND 137 NSP3_IBV Replicase polyprotein 1a -10.47 N/A N/A N/A N/A
LIGAND_65 NSP3_IBV Replicase polyprotein 1a -7.92 N/A N/A N/A N/A
LIGAND 70 NSP3_IBV Replicase polyprotein 1a -8.72 N/A N/A N/A N/A
LIGAND 40 NSP3_IBV Replicase polyprotein 1a -9.51 N/A N/A N/A N/A
LIGAND 137 NSP3_MHV Replicase polyprotein 1ab ? N/A N/A N/A N/A
LIGAND_65 NSP3_MHV Replicase polyprotein 1ab -5.50 N/A N/A N/A N/A
LIGAND 70 NSP3_MHV Replicase polyprotein 1ab -7.02 N/A N/A N/A N/A
LIGAND 40 NSP3_MHV Replicase polyprotein 1ab -6.99 N/A N/A N/A N/A
LIGAND 137 NSP3_SARS2 Replicase polyprotein 1ab 2.34 N/A N/A N/A N/A
LIGAND_65 NSP3_SARS2 Replicase polyprotein 1ab -7.77 N/A N/A N/A N/A
LIGAND 70 NSP3_SARS2 Replicase polyprotein 1ab -8.23 N/A N/A N/A N/A
LIGAND 40 NSP3_SARS2 Replicase polyprotein 1ab -7.27 N/A N/A N/A N/A
LIGAND 137 NSP9_HCoV-229E Replicase polyprotein 1ab ? ? N/A N/A N/A
LIGAND_65 NSP9_HCoV-229E Replicase polyprotein 1ab -7.08 -6.31 N/A N/A N/A
LIGAND 70 NSP9_HCoV-229E Replicase polyprotein 1ab -6.88 -6.76 N/A N/A N/A
LIGAND 40 NSP9_HCoV-229E Replicase polyprotein 1ab -6.68 -6.47 N/A N/A N/A
LIGAND 137 PA_A-H17N10 Polymerase acidic protein -1.85 N/A N/A N/A N/A
LIGAND_65 PA_A-H17N10 Polymerase acidic protein -7.92 N/A N/A N/A N/A
LIGAND 70 PA_A-H17N10 Polymerase acidic protein -8.80 N/A N/A N/A N/A
LIGAND 40 PA_A-H17N10 Polymerase acidic protein -7.96 N/A N/A N/A N/A
LIGAND 137 PA_A-H1N1 Polymerase acidic protein -10.34 -9.83 -8.88 N/A N/A
LIGAND_65 PA_A-H1N1 Polymerase acidic protein -10.31 -8.08 -9.04 N/A N/A
LIGAND 70 PA_A-H1N1 Polymerase acidic protein -9.19 -10.13 -9.34 N/A N/A
LIGAND 40 PA_A-H1N1 Polymerase acidic protein -7.53 -8.18 -7.82 N/A N/A
LIGAND 137 PA_A-H5N1 Polymerase acidic protein 2.67 6.50 5.38 N/A N/A
LIGAND_65 PA_A-H5N1 Polymerase acidic protein -8.90 -8.71 -9.15 N/A N/A
LIGAND 70 PA_A-H5N1 Polymerase acidic protein -10.55 -11.90 -11.39 N/A N/A
LIGAND 40 PA_A-H5N1 Polymerase acidic protein -8.42 -8.31 -8.32 N/A N/A
LIGAND 137 PA_INFA Polymerase acidic protein -7.73 20.44 -6.86 15.11% CHEMBL2040552
LIGAND_65 PA_INFA Polymerase acidic protein -9.69 -7.77 -8.45 22.66% CHEMBL2040569
LIGAND 70 PA_INFA Polymerase acidic protein -8.86 -7.75 -9.70 33.58% CHEMBL573638
LIGAND 40 PA_INFA Polymerase acidic protein -8.09 -7.50 -7.92 22.64% CHEMBL2040578
LIGAND 137 PA_INFB Polymerase acidic protein -9.66 N/A N/A N/A N/A
LIGAND_65 PA_INFB Polymerase acidic protein -7.10 N/A N/A N/A N/A
LIGAND 70 PA_INFB Polymerase acidic protein -9.14 N/A N/A N/A N/A
LIGAND 40 PA_INFB Polymerase acidic protein -7.96 N/A N/A N/A N/A
LIGAND 137 PB2_A-H3N2 Polymerase basic protein 2 -9.90 -6.43 N/A N/A N/A
LIGAND_65 PB2_A-H3N2 Polymerase basic protein 2 -7.40 -7.48 N/A N/A N/A
LIGAND 70 PB2_A-H3N2 Polymerase basic protein 2 -9.34 -8.32 N/A N/A N/A
LIGAND 40 PB2_A-H3N2 Polymerase basic protein 2 -8.52 -8.17 N/A N/A N/A
LIGAND 137 PB2_A-H5N1 Polymerase basic protein 2 -7.73 -7.47 -8.30 N/A N/A
LIGAND_65 PB2_A-H5N1 Polymerase basic protein 2 -8.11 -7.88 -7.02 N/A N/A
LIGAND 70 PB2_A-H5N1 Polymerase basic protein 2 -7.84 -8.44 -8.25 N/A N/A
LIGAND 40 PB2_A-H5N1 Polymerase basic protein 2 -8.38 -7.89 -8.10 N/A N/A
LIGAND 137 PB2_INFB Polymerase basic protein 2 -5.15 N/A N/A N/A N/A
LIGAND_65 PB2_INFB Polymerase basic protein 2 -7.66 N/A N/A N/A N/A
LIGAND 70 PB2_INFB Polymerase basic protein 2 -7.65 N/A N/A N/A N/A
LIGAND 40 PB2_INFB Polymerase basic protein 2 -8.05 N/A N/A N/A N/A
LIGAND 137 PB3_A-H3N2 Polymerase basic protein 2 -7.80 N/A N/A N/A N/A
LIGAND_65 PB3_A-H3N2 Polymerase basic protein 2 -7.97 N/A N/A N/A N/A
LIGAND 70 PB3_A-H3N2 Polymerase basic protein 2 -7.66 N/A N/A N/A N/A
LIGAND 40 PB3_A-H3N2 Polymerase basic protein 2 -8.51 N/A N/A N/A N/A
LIGAND 137 PB4_A-H3N2 Polymerase basic protein 2 -10.53 N/A N/A N/A N/A
LIGAND_65 PB4_A-H3N2 Polymerase basic protein 2 -7.99 N/A N/A N/A N/A
LIGAND 70 PB4_A-H3N2 Polymerase basic protein 2 -10.13 N/A N/A N/A N/A
LIGAND 40 PB4_A-H3N2 Polymerase basic protein 2 -8.52 N/A N/A N/A N/A
LIGAND 137 PLP_SARS Replicase polyprotein 1a -10.97 -11.56 -11.84 24.84% CHEMBL212218
LIGAND_65 PLP_SARS Replicase polyprotein 1a -8.09 -8.81 -8.86 34.33% CHEMBL213054
LIGAND 70 PLP_SARS Replicase polyprotein 1a -11.69 -10.10 -11.22 22.96% CHEMBL213543
LIGAND 40 PLP_SARS Replicase polyprotein 1a -8.59 -8.78 -9.17 20.50% CHEMBL212080
LIGAND 137 PLP_SARS2 papain-like protease -8.68 N/A N/A N/A N/A
LIGAND_65 PLP_SARS2 papain-like protease -6.69 N/A N/A N/A N/A
LIGAND 70 PLP_SARS2 papain-like protease -7.16 N/A N/A N/A N/A
LIGAND 40 PLP_SARS2 papain-like protease -6.89 N/A N/A N/A N/A
LIGAND 137 PR_FCoV Replicase polyprotein 1ab -9.31 N/A N/A N/A N/A
LIGAND_65 PR_FCoV Replicase polyprotein 1ab -7.63 N/A N/A N/A N/A
LIGAND 70 PR_FCoV Replicase polyprotein 1ab -8.90 N/A N/A N/A N/A
LIGAND 40 PR_FCoV Replicase polyprotein 1ab -7.72 N/A N/A N/A N/A
LIGAND 137 PR_HCoV-229E Replicase polyprotein 1a -9.41 -9.31 N/A N/A N/A
LIGAND_65 PR_HCoV-229E Replicase polyprotein 1a -7.98 -8.08 N/A N/A N/A
LIGAND 70 PR_HCoV-229E Replicase polyprotein 1a -8.18 -7.87 N/A N/A N/A
LIGAND 40 PR_HCoV-229E Replicase polyprotein 1a -7.92 -7.14 N/A N/A N/A
LIGAND 137 PR_HCoV-NL63 Replicase polyprotein 1a -6.01 -9.43 N/A N/A N/A
LIGAND_65 PR_HCoV-NL63 Replicase polyprotein 1a -4.40 -7.55 N/A N/A N/A
LIGAND 70 PR_HCoV-NL63 Replicase polyprotein 1a -4.35 -9.46 N/A N/A N/A
LIGAND 40 PR_HCoV-NL63 Replicase polyprotein 1a -4.82 -7.63 N/A N/A N/A
LIGAND 137 PR_HIV1 Gag-Pol polyprotein -5.52 -8.68 -9.52 20.21% CHEMBL510485
LIGAND_65 PR_HIV1 Gag-Pol polyprotein -6.14 -6.31 -7.96 35.02% CHEMBL3645129
LIGAND 70 PR_HIV1 Gag-Pol polyprotein -7.19 -7.75 -6.72 15.35% CHEMBL494500
LIGAND 40 PR_HIV1 Gag-Pol polyprotein -7.00 -7.21 -7.03 26.95% CHEMBL3645129
LIGAND 137 PR_HIV2 Gag-Pol polyprotein -9.08 -8.75 N/A N/A N/A
LIGAND_65 PR_HIV2 Gag-Pol polyprotein -7.53 -6.77 N/A N/A N/A
LIGAND 70 PR_HIV2 Gag-Pol polyprotein -7.47 -6.58 N/A N/A N/A
LIGAND 40 PR_HIV2 Gag-Pol polyprotein -7.93 -6.26 N/A N/A N/A
LIGAND 137 PR_HKU1 Replicase polyprotein 1a -8.05 N/A N/A N/A N/A
LIGAND_65 PR_HKU1 Replicase polyprotein 1a -6.94 N/A N/A N/A N/A
LIGAND 70 PR_HKU1 Replicase polyprotein 1a -8.30 N/A N/A N/A N/A
LIGAND 40 PR_HKU1 Replicase polyprotein 1a -7.33 N/A N/A N/A N/A
LIGAND 137 PR_HKU4 Replicase polyprotein 1ab -8.97 -9.36 -8.93 N/A N/A
LIGAND_65 PR_HKU4 Replicase polyprotein 1ab -6.94 -6.90 -7.31 N/A N/A
LIGAND 70 PR_HKU4 Replicase polyprotein 1ab -8.09 -7.24 -9.21 N/A N/A
LIGAND 40 PR_HKU4 Replicase polyprotein 1ab -7.37 -7.59 -7.42 N/A N/A
LIGAND 137 PR_IBV Replicase polyprotein 1a -9.30 N/A N/A N/A N/A
LIGAND_65 PR_IBV Replicase polyprotein 1a -7.35 N/A N/A N/A N/A
LIGAND 70 PR_IBV Replicase polyprotein 1a -8.90 N/A N/A N/A N/A
LIGAND 40 PR_IBV Replicase polyprotein 1a -7.41 N/A N/A N/A N/A
LIGAND 137 PR_MERs 3C-like proteinase -8.72 -10.57 N/A N/A N/A
LIGAND_65 PR_MERs 3C-like proteinase -7.16 -8.14 N/A N/A N/A
LIGAND 70 PR_MERs 3C-like proteinase -8.73 -8.54 N/A N/A N/A
LIGAND 40 PR_MERs 3C-like proteinase -7.82 -7.39 N/A N/A N/A
LIGAND 137 PR_PEDV 3C-like proteinase -8.35 N/A N/A N/A N/A
LIGAND_65 PR_PEDV 3C-like proteinase -7.77 N/A N/A N/A N/A
LIGAND 70 PR_PEDV 3C-like proteinase -8.99 N/A N/A N/A N/A
LIGAND 40 PR_PEDV 3C-like proteinase -7.18 N/A N/A N/A N/A
LIGAND 137 PR_SARS Replicase polyprotein 1ab -9.92 -9.52 -10.28 16.27% CHEMBL2441741
LIGAND_65 PR_SARS Replicase polyprotein 1ab -7.10 -7.59 -8.04 27.80% CHEMBL2441741
LIGAND 70 PR_SARS Replicase polyprotein 1ab -8.41 -8.85 -8.45 28.89% CHEMBL1092796
LIGAND 40 PR_SARS Replicase polyprotein 1ab -7.31 -7.82 -7.68 15.71% CHEMBL2441745
LIGAND 137 PR_SARS2 3C-like protease -9.21 N/A N/A N/A N/A
LIGAND_65 PR_SARS2 3C-like protease -7.70 N/A N/A N/A N/A
LIGAND 70 PR_SARS2 3C-like protease -8.77 N/A N/A N/A N/A
LIGAND 40 PR_SARS2 3C-like protease -7.57 N/A N/A N/A N/A
LIGAND 137 PR_TGEV Replicase polyprotein 1a -10.09 N/A N/A N/A N/A
LIGAND_65 PR_TGEV Replicase polyprotein 1a -7.98 N/A N/A N/A N/A
LIGAND 70 PR_TGEV Replicase polyprotein 1a -7.11 N/A N/A N/A N/A
LIGAND 40 PR_TGEV Replicase polyprotein 1a -7.41 N/A N/A N/A N/A
LIGAND 137 RDRP_SARS2 RNA-dependent RNA polymerase -9.72 N/A N/A 11.55% CHEMBL4065616
LIGAND_65 RDRP_SARS2 RNA-dependent RNA polymerase -7.84 N/A N/A 28.69% CHEMBL4065616
LIGAND 70 RDRP_SARS2 RNA-dependent RNA polymerase -9.03 N/A N/A 15.58% CHEMBL4065616
LIGAND 40 RDRP_SARS2 RNA-dependent RNA polymerase -7.35 N/A N/A 30.45% CHEMBL4065616
LIGAND 137 RT_HIV1 Gag-Pol polyprotein ? ? ? ? ?
LIGAND_65 RT_HIV1 Gag-Pol polyprotein -8.80 -7.90 -6.15 27.66% CHEMBL4108147
LIGAND 70 RT_HIV1 Gag-Pol polyprotein -8.61 -8.72 -6.21 36.17% CHEMBL3775172
LIGAND 40 RT_HIV1 Gag-Pol polyprotein -8.78 -8.34 -8.05 23.45% CHEMBL4108778
LIGAND 137 SPIKE_HCoV-229E Spike glycoprotein -7.85 N/A N/A N/A N/A
LIGAND_65 SPIKE_HCoV-229E Spike glycoprotein -5.09 N/A N/A N/A N/A
LIGAND 70 SPIKE_HCoV-229E Spike glycoprotein -5.45 N/A N/A N/A N/A
LIGAND 40 SPIKE_HCoV-229E Spike glycoprotein -4.74 N/A N/A N/A N/A
LIGAND 137 SPIKE_HCoV-NL63 Spike glycoprotein -9.18 N/A N/A N/A N/A
LIGAND_65 SPIKE_HCoV-NL63 Spike glycoprotein -5.95 N/A N/A N/A N/A
LIGAND 70 SPIKE_HCoV-NL63 Spike glycoprotein -7.51 N/A N/A N/A N/A
LIGAND 40 SPIKE_HCoV-NL63 Spike glycoprotein -5.73 N/A N/A N/A N/A
LIGAND 137 SPIKE_HCoV-OC43 Spike glycoprotein -8.20 N/A N/A N/A N/A
LIGAND_65 SPIKE_HCoV-OC43 Spike glycoprotein -7.18 N/A N/A N/A N/A
LIGAND 70 SPIKE_HCoV-OC43 Spike glycoprotein -7.36 N/A N/A N/A N/A
LIGAND 40 SPIKE_HCoV-OC43 Spike glycoprotein -7.52 N/A N/A N/A N/A
LIGAND 137 SPIKE_HKU4 Spike glycoprotein -11.14 N/A N/A N/A N/A
LIGAND_65 SPIKE_HKU4 Spike glycoprotein -7.36 N/A N/A N/A N/A
LIGAND 70 SPIKE_HKU4 Spike glycoprotein -8.01 N/A N/A N/A N/A
LIGAND 40 SPIKE_HKU4 Spike glycoprotein -8.22 N/A N/A N/A N/A
LIGAND 137 SPIKE_IBV Spike glycoprotein -6.11 N/A N/A N/A N/A
LIGAND_65 SPIKE_IBV Spike glycoprotein -6.14 N/A N/A N/A N/A
LIGAND 70 SPIKE_IBV Spike glycoprotein -6.37 N/A N/A N/A N/A
LIGAND 40 SPIKE_IBV Spike glycoprotein -6.31 N/A N/A N/A N/A
LIGAND 137 SPIKE_MERs Spike glycoprotein -9.27 -8.83 -9.51 N/A N/A
LIGAND_65 SPIKE_MERs Spike glycoprotein -7.19 -6.92 -5.97 N/A N/A
LIGAND 70 SPIKE_MERs Spike glycoprotein -7.76 -6.56 -5.68 N/A N/A
LIGAND 40 SPIKE_MERs Spike glycoprotein -7.82 -7.15 -5.86 N/A N/A
LIGAND 137 SPIKE_MHV Spike glycoprotein -9.59 N/A N/A N/A N/A
LIGAND_65 SPIKE_MHV Spike glycoprotein -6.74 N/A N/A N/A N/A
LIGAND 70 SPIKE_MHV Spike glycoprotein -7.98 N/A N/A N/A N/A
LIGAND 40 SPIKE_MHV Spike glycoprotein -7.16 N/A N/A N/A N/A
LIGAND 137 SPIKE_PDCoV Spike protein 76.28 N/A N/A N/A N/A
LIGAND_65 SPIKE_PDCoV Spike protein -6.76 N/A N/A N/A N/A
LIGAND 70 SPIKE_PDCoV Spike protein -7.75 N/A N/A N/A N/A
LIGAND 40 SPIKE_PDCoV Spike protein -7.26 N/A N/A N/A N/A
LIGAND 137 SPIKE_SARS Spike glycoprotein -9.76 -9.18 N/A N/A N/A
LIGAND_65 SPIKE_SARS Spike glycoprotein -6.03 -6.05 N/A N/A N/A
LIGAND 70 SPIKE_SARS Spike glycoprotein -5.93 -6.58 N/A N/A N/A
LIGAND 40 SPIKE_SARS Spike glycoprotein -7.54 -6.88 N/A N/A N/A
LIGAND 137 SPIKE_SARS2 Spike glycoprotein -8.57 -9.32 -9.25 N/A N/A
LIGAND_65 SPIKE_SARS2 Spike glycoprotein -6.35 -6.02 -6.86 N/A N/A
LIGAND 70 SPIKE_SARS2 Spike glycoprotein -6.24 -5.92 -7.02 N/A N/A
LIGAND 40 SPIKE_SARS2 Spike glycoprotein -6.11 -6.05 -6.60 N/A N/A