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 |