| Ligand | Protein Symbol | Approved Name | Docking Scores |
Similarity Score |
Best Match | ||
|---|---|---|---|---|---|---|---|
| Model 1 | Model 2 | Model 3 | |||||
| Ebselen | ACE2_HUMAN | angiotensin converting enzyme 2 | -7.91 | N/A | N/A | 31.97% | CHEMBL76 |
| Shikonin | ACE2_HUMAN | angiotensin converting enzyme 2 | -8.48 | N/A | N/A | 27.16% | CHEMBL252003 |
| Tideglusib | ACE2_HUMAN | angiotensin converting enzyme 2 | -9.28 | N/A | N/A | 21.84% | CHEMBL429844 |
| Ebselen | GP160_HIV1 | Envelope glycoprotein gp160 | -5.24 | -5.22 | -6.19 | N/A | N/A |
| Shikonin | GP160_HIV1 | Envelope glycoprotein gp160 | -6.52 | -5.61 | -5.87 | N/A | N/A |
| Tideglusib | GP160_HIV1 | Envelope glycoprotein gp160 | -6.40 | -6.49 | -6.50 | N/A | N/A |
| Ebselen | GP160_HIV2 | Envelope glycoprotein gp160 | -6.59 | N/A | N/A | N/A | N/A |
| Shikonin | GP160_HIV2 | Envelope glycoprotein gp160 | -7.28 | N/A | N/A | N/A | N/A |
| Tideglusib | GP160_HIV2 | Envelope glycoprotein gp160 | -7.03 | N/A | N/A | N/A | N/A |
| Ebselen | GP_EBOV | Envelope glycoprotein | -7.31 | -7.10 | -6.52 | 23.14% | CHEMBL3125895 |
| Shikonin | GP_EBOV | Envelope glycoprotein | -7.77 | -6.88 | -7.52 | 20.49% | CHEMBL3125899 |
| Tideglusib | GP_EBOV | Envelope glycoprotein | -8.11 | -9.12 | -8.39 | 20.28% | CHEMBL3125895 |
| Ebselen | HA_A-H10N7 | Hemagglutinin | -5.85 | N/A | N/A | N/A | N/A |
| Shikonin | HA_A-H10N7 | Hemagglutinin | -6.58 | N/A | N/A | N/A | N/A |
| Tideglusib | HA_A-H10N7 | Hemagglutinin | -7.35 | N/A | N/A | N/A | N/A |
| Ebselen | HA_A-H10N8 | Hemagglutinin | -5.40 | N/A | N/A | N/A | N/A |
| Shikonin | HA_A-H10N8 | Hemagglutinin | -6.43 | N/A | N/A | N/A | N/A |
| Tideglusib | HA_A-H10N8 | Hemagglutinin | -7.05 | N/A | N/A | N/A | N/A |
| Ebselen | HA_A-H13N6 | Hemagglutinin | -5.90 | N/A | N/A | N/A | N/A |
| Shikonin | HA_A-H13N6 | Hemagglutinin | -6.86 | N/A | N/A | N/A | N/A |
| Tideglusib | HA_A-H13N6 | Hemagglutinin | -7.04 | N/A | N/A | N/A | N/A |
| Ebselen | HA_A-H14N6 | Hemagglutinin | -6.35 | N/A | N/A | N/A | N/A |
| Shikonin | HA_A-H14N6 | Hemagglutinin | -5.98 | N/A | N/A | N/A | N/A |
| Tideglusib | HA_A-H14N6 | Hemagglutinin | -7.52 | N/A | N/A | N/A | N/A |
| Ebselen | HA_A-H15N9 | Hemagglutinin | -5.78 | N/A | N/A | N/A | N/A |
| Shikonin | HA_A-H15N9 | Hemagglutinin | -6.37 | N/A | N/A | N/A | N/A |
| Tideglusib | HA_A-H15N9 | Hemagglutinin | -6.87 | N/A | N/A | N/A | N/A |
| Ebselen | HA_A-H17N10 | Hemagglutinin | -5.24 | N/A | N/A | N/A | N/A |
| Shikonin | HA_A-H17N10 | Hemagglutinin | -5.63 | N/A | N/A | N/A | N/A |
| Tideglusib | HA_A-H17N10 | Hemagglutinin | -6.23 | N/A | N/A | N/A | N/A |
| Ebselen | HA_A-H18N11 | Hemagglutinin | -4.62 | N/A | N/A | N/A | N/A |
| Shikonin | HA_A-H18N11 | Hemagglutinin | -5.77 | N/A | N/A | N/A | N/A |
| Tideglusib | HA_A-H18N11 | Hemagglutinin | -5.74 | N/A | N/A | N/A | N/A |
| Ebselen | HA_A-H1N1 | Hemagglutinin | -5.71 | -5.78 | N/A | N/A | N/A |
| Shikonin | HA_A-H1N1 | Hemagglutinin | -7.11 | -6.08 | N/A | N/A | N/A |
| Tideglusib | HA_A-H1N1 | Hemagglutinin | -7.19 | -7.08 | N/A | N/A | N/A |
| Ebselen | HA_A-H2N2 | Hemagglutinin | -5.88 | -5.53 | N/A | N/A | N/A |
| Shikonin | HA_A-H2N2 | Hemagglutinin | -6.84 | -6.11 | N/A | N/A | N/A |
| Tideglusib | HA_A-H2N2 | Hemagglutinin | -6.78 | -6.39 | N/A | N/A | N/A |
| Ebselen | HA_A-H3N2 | Hemagglutinin | -5.66 | -5.42 | -5.67 | N/A | N/A |
| Shikonin | HA_A-H3N2 | Hemagglutinin | -6.25 | -5.88 | -6.14 | N/A | N/A |
| Tideglusib | HA_A-H3N2 | Hemagglutinin | -7.05 | -6.99 | -6.98 | N/A | N/A |
| Ebselen | HA_A-H3N8 | Hemagglutinin | -5.42 | -5.52 | -5.56 | N/A | N/A |
| Shikonin | HA_A-H3N8 | Hemagglutinin | -6.14 | -6.00 | -5.99 | N/A | N/A |
| Tideglusib | HA_A-H3N8 | Hemagglutinin | -6.28 | -6.29 | -7.15 | N/A | N/A |
| Ebselen | HA_A-H5N1 | Hemagglutinin | -6.54 | -6.17 | -6.09 | N/A | N/A |
| Shikonin | HA_A-H5N1 | Hemagglutinin | -7.02 | -6.77 | -6.63 | N/A | N/A |
| Tideglusib | HA_A-H5N1 | Hemagglutinin | -7.57 | -6.64 | -6.81 | N/A | N/A |
| Ebselen | HA_A-H5N3 | Hemagglutinin | -6.54 | -5.81 | N/A | N/A | N/A |
| Shikonin | HA_A-H5N3 | Hemagglutinin | -6.25 | -6.36 | N/A | N/A | N/A |
| Tideglusib | HA_A-H5N3 | Hemagglutinin | -7.41 | -6.16 | N/A | N/A | N/A |
| Ebselen | HA_A-H6N1 | Hemagglutinin | -5.40 | N/A | N/A | N/A | N/A |
| Shikonin | HA_A-H6N1 | Hemagglutinin | -6.43 | N/A | N/A | N/A | N/A |
| Tideglusib | HA_A-H6N1 | Hemagglutinin | -7.05 | N/A | N/A | N/A | N/A |
| Ebselen | HA_A-H6N6 | Hemagglutinin | -5.47 | N/A | N/A | N/A | N/A |
| Shikonin | HA_A-H6N6 | Hemagglutinin | -6.60 | N/A | N/A | N/A | N/A |
| Tideglusib | HA_A-H6N6 | Hemagglutinin | -6.48 | N/A | N/A | N/A | N/A |
| Ebselen | HA_A-H7N2 | Hemagglutinin | -5.88 | -5.38 | -5.68 | N/A | N/A |
| Shikonin | HA_A-H7N2 | Hemagglutinin | -6.14 | -5.84 | -6.00 | N/A | N/A |
| Tideglusib | HA_A-H7N2 | Hemagglutinin | -7.12 | -6.82 | -6.84 | N/A | N/A |
| Ebselen | HA_A-H7N7 | Hemagglutinin | -5.77 | -5.64 | N/A | N/A | N/A |
| Shikonin | HA_A-H7N7 | Hemagglutinin | -5.90 | -6.85 | N/A | N/A | N/A |
| Tideglusib | HA_A-H7N7 | Hemagglutinin | -6.21 | -6.84 | N/A | N/A | N/A |
| Ebselen | HA_A-H7N9 | Hemagglutinin | -5.78 | N/A | N/A | N/A | N/A |
| Shikonin | HA_A-H7N9 | Hemagglutinin | -6.76 | N/A | N/A | N/A | N/A |
| Tideglusib | HA_A-H7N9 | Hemagglutinin | -7.15 | N/A | N/A | N/A | N/A |
| Ebselen | HA_INFB | Hemagglutinin | -6.18 | -5.45 | N/A | N/A | N/A |
| Shikonin | HA_INFB | Hemagglutinin | -6.84 | -6.34 | N/A | N/A | N/A |
| Tideglusib | HA_INFB | Hemagglutinin | -7.51 | -6.37 | N/A | N/A | N/A |
| Ebselen | HA_INFD | Hemagglutinin-esterase-fusion glycoprotein | -5.32 | N/A | N/A | N/A | N/A |
| Shikonin | HA_INFD | Hemagglutinin-esterase-fusion glycoprotein | -6.95 | N/A | N/A | N/A | N/A |
| Tideglusib | HA_INFD | Hemagglutinin-esterase-fusion glycoprotein | -7.11 | N/A | N/A | N/A | N/A |
| Ebselen | HE_BCV | Hemagglutinin-esterase | -6.40 | -5.90 | N/A | N/A | N/A |
| Shikonin | HE_BCV | Hemagglutinin-esterase | -6.71 | -5.77 | N/A | N/A | N/A |
| Tideglusib | HE_BCV | Hemagglutinin-esterase | -7.06 | -6.78 | N/A | N/A | N/A |
| Ebselen | HE_HCoV-OC43 | Hemagglutinin-esterase | -5.38 | N/A | N/A | N/A | N/A |
| Shikonin | HE_HCoV-OC43 | Hemagglutinin-esterase | -5.35 | N/A | N/A | N/A | N/A |
| Tideglusib | HE_HCoV-OC43 | Hemagglutinin-esterase | -6.75 | N/A | N/A | N/A | N/A |
| Ebselen | HE_MHV | Hemagglutinin-esterase | -5.53 | N/A | N/A | N/A | N/A |
| Shikonin | HE_MHV | Hemagglutinin-esterase | -6.07 | N/A | N/A | N/A | N/A |
| Tideglusib | HE_MHV | Hemagglutinin-esterase | -6.87 | N/A | N/A | N/A | N/A |
| Ebselen | IN_HIV1 | Gag-Pol polyprotein | -5.53 | -5.36 | N/A | N/A | N/A |
| Shikonin | IN_HIV1 | Gag-Pol polyprotein | -5.39 | -5.81 | N/A | N/A | N/A |
| Tideglusib | IN_HIV1 | Gag-Pol polyprotein | -6.44 | -6.64 | N/A | N/A | N/A |
| Ebselen | MD_HKU4 | Replicase polyprotein 1ab | -7.98 | -7.60 | -7.65 | N/A | N/A |
| Shikonin | MD_HKU4 | Replicase polyprotein 1ab | -7.99 | -7.80 | -8.07 | N/A | N/A |
| Tideglusib | MD_HKU4 | Replicase polyprotein 1ab | -10.18 | -9.58 | -9.17 | N/A | N/A |
| Ebselen | MD_MERs | Replicase polyprotein 1a | -7.92 | -7.68 | N/A | N/A | N/A |
| Shikonin | MD_MERs | Replicase polyprotein 1a | -8.09 | -7.86 | N/A | N/A | N/A |
| Tideglusib | MD_MERs | Replicase polyprotein 1a | -10.13 | -9.54 | N/A | N/A | N/A |
| Ebselen | MTASE_SARS2 | Methyltransferase | -5.49 | N/A | N/A | N/A | N/A |
| Ebselen | MTASE_SARS2 | Methyltransferase | -6.85 | N/A | N/A | N/A | N/A |
| Shikonin | MTASE_SARS2 | Methyltransferase | -5.81 | N/A | N/A | N/A | N/A |
| Shikonin | MTASE_SARS2 | Methyltransferase | -7.40 | N/A | N/A | N/A | N/A |
| Tideglusib | MTASE_SARS2 | Methyltransferase | -6.21 | N/A | N/A | N/A | N/A |
| Tideglusib | MTASE_SARS2 | Methyltransferase | -8.67 | N/A | N/A | N/A | N/A |
| Ebselen | MX2_A-H5N1 | Matrix protein 2 | -8.43 | N/A | N/A | N/A | N/A |
| Shikonin | MX2_A-H5N1 | Matrix protein 2 | -9.05 | N/A | N/A | N/A | N/A |
| Tideglusib | MX2_A-H5N1 | Matrix protein 2 | -8.11 | N/A | N/A | N/A | N/A |
| Ebselen | NA_A-H11N6 | Neuraminidase | -6.39 | -6.42 | -6.24 | N/A | N/A |
| Shikonin | NA_A-H11N6 | Neuraminidase | -7.19 | -7.30 | -6.68 | N/A | N/A |
| Tideglusib | NA_A-H11N6 | Neuraminidase | -7.94 | -7.67 | -7.36 | N/A | N/A |
| Ebselen | NA_A-H11N9 | Neuraminidase | -7.02 | -6.30 | -6.53 | N/A | N/A |
| Shikonin | NA_A-H11N9 | Neuraminidase | -6.73 | -7.32 | -6.79 | N/A | N/A |
| Tideglusib | NA_A-H11N9 | Neuraminidase | -7.17 | -7.84 | -7.65 | N/A | N/A |
| Ebselen | NA_A-H12N5 | Neuraminidase | -7.12 | -6.44 | -6.26 | N/A | N/A |
| Shikonin | NA_A-H12N5 | Neuraminidase | -6.98 | -7.31 | -7.20 | N/A | N/A |
| Tideglusib | NA_A-H12N5 | Neuraminidase | -7.65 | -8.00 | -8.00 | N/A | N/A |
| Ebselen | NA_A-H13N9 | Neuraminidase | -6.92 | N/A | N/A | N/A | N/A |
| Shikonin | NA_A-H13N9 | Neuraminidase | -6.52 | N/A | N/A | N/A | N/A |
| Tideglusib | NA_A-H13N9 | Neuraminidase | -6.66 | N/A | N/A | N/A | N/A |
| Ebselen | NA_A-H17N10 | Neuraminidase | -5.88 | N/A | N/A | N/A | N/A |
| Shikonin | NA_A-H17N10 | Neuraminidase | -6.44 | N/A | N/A | N/A | N/A |
| Tideglusib | NA_A-H17N10 | Neuraminidase | -7.97 | N/A | N/A | N/A | N/A |
| Ebselen | NA_A-H18N11 | Neuraminidase | -5.74 | N/A | N/A | N/A | N/A |
| Shikonin | NA_A-H18N11 | Neuraminidase | -6.44 | N/A | N/A | N/A | N/A |
| Tideglusib | NA_A-H18N11 | Neuraminidase | -7.05 | N/A | N/A | N/A | N/A |
| Ebselen | NA_A-H1N1 | Neuraminidase | -6.99 | N/A | N/A | N/A | N/A |
| Shikonin | NA_A-H1N1 | Neuraminidase | -7.13 | N/A | N/A | N/A | N/A |
| Tideglusib | NA_A-H1N1 | Neuraminidase | -7.67 | N/A | N/A | N/A | N/A |
| Ebselen | NA_A-H2N2 | Neuraminidase | -6.11 | -6.27 | -6.28 | N/A | N/A |
| Shikonin | NA_A-H2N2 | Neuraminidase | -7.08 | -7.70 | -7.18 | N/A | N/A |
| Tideglusib | NA_A-H2N2 | Neuraminidase | -8.20 | -7.57 | -7.76 | N/A | N/A |
| Ebselen | NA_A-H3N2 | Ig heavy chain Mem5 | -6.39 | -6.31 | N/A | N/A | N/A |
| Shikonin | NA_A-H3N2 | Ig heavy chain Mem5 | -6.58 | -6.35 | N/A | N/A | N/A |
| Tideglusib | NA_A-H3N2 | Ig heavy chain Mem5 | -7.23 | -6.88 | N/A | N/A | N/A |
| Ebselen | NA_A-H3N8 | Neuraminidase | -5.98 | -7.62 | -6.60 | N/A | N/A |
| Shikonin | NA_A-H3N8 | Neuraminidase | -7.08 | -7.37 | -7.55 | N/A | N/A |
| Tideglusib | NA_A-H3N8 | Neuraminidase | -7.53 | -8.23 | -8.11 | N/A | N/A |
| Ebselen | NA_A-H5N1 | Neuraminidase | -6.22 | N/A | N/A | N/A | N/A |
| Shikonin | NA_A-H5N1 | Neuraminidase | -6.84 | N/A | N/A | N/A | N/A |
| Tideglusib | NA_A-H5N1 | Neuraminidase | -7.74 | N/A | N/A | N/A | N/A |
| Ebselen | NA_A-H7N9 | Neuraminidase | -6.70 | -6.40 | -6.63 | N/A | N/A |
| Shikonin | NA_A-H7N9 | Neuraminidase | -6.79 | -7.08 | -7.36 | N/A | N/A |
| Tideglusib | NA_A-H7N9 | Neuraminidase | -7.50 | -7.82 | -7.77 | N/A | N/A |
| Ebselen | NA_INFB | Neuraminidase | -6.17 | -6.27 | N/A | 18.32% | CHEMBL4161935 |
| Shikonin | NA_INFB | Neuraminidase | -6.89 | -7.32 | N/A | 32.20% | CHEMBL79499 |
| Tideglusib | NA_INFB | Neuraminidase | -7.18 | -7.66 | N/A | 21.36% | CHEMBL4175983 |
| Ebselen | NP_A-H1N1 | Nucleoprotein | -6.25 | -7.16 | -6.87 | N/A | N/A |
| Shikonin | NP_A-H1N1 | Nucleoprotein | -6.16 | -6.85 | -6.16 | N/A | N/A |
| Tideglusib | NP_A-H1N1 | Nucleoprotein | -7.09 | -7.50 | -7.46 | N/A | N/A |
| Ebselen | NP_A-H5N1 | Nucleoprotein | -6.30 | N/A | N/A | N/A | N/A |
| Shikonin | NP_A-H5N1 | Nucleoprotein | -6.46 | N/A | N/A | N/A | N/A |
| Tideglusib | NP_A-H5N1 | Nucleoprotein | -7.06 | N/A | N/A | N/A | N/A |
| Ebselen | NP_HCoV-NL63 | Nucleoprotein | -5.84 | N/A | N/A | N/A | N/A |
| Shikonin | NP_HCoV-NL63 | Nucleoprotein | -6.76 | N/A | N/A | N/A | N/A |
| Tideglusib | NP_HCoV-NL63 | Nucleoprotein | -6.99 | N/A | N/A | N/A | N/A |
| Ebselen | NP_HCoV-OC43 | Nucleoprotein | -8.90 | -7.26 | -7.01 | 26.40% | CHEMBL3233481 |
| Shikonin | NP_HCoV-OC43 | Nucleoprotein | -9.00 | -7.21 | -6.98 | 6.92% | CHEMBL3233481 |
| Tideglusib | NP_HCoV-OC43 | Nucleoprotein | -9.36 | -8.27 | -8.09 | 17.42% | CHEMBL3233481 |
| Ebselen | NP_INFB | Nucleoprotein | -4.60 | N/A | N/A | N/A | N/A |
| Shikonin | NP_INFB | Nucleoprotein | -5.37 | N/A | N/A | N/A | N/A |
| Tideglusib | NP_INFB | Nucleoprotein | -5.90 | N/A | N/A | N/A | N/A |
| Ebselen | NP_INFD | NP | -5.22 | N/A | N/A | N/A | N/A |
| Shikonin | NP_INFD | NP | -5.18 | N/A | N/A | N/A | N/A |
| Tideglusib | NP_INFD | NP | -5.84 | N/A | N/A | N/A | N/A |
| Ebselen | NP_SARS | Nucleoprotein | -6.98 | N/A | N/A | N/A | N/A |
| Shikonin | NP_SARS | Nucleoprotein | -7.56 | N/A | N/A | N/A | N/A |
| Tideglusib | NP_SARS | Nucleoprotein | -8.20 | N/A | N/A | N/A | N/A |
| Ebselen | NS3_HCV1A | Genome polyprotein | -6.39 | -5.84 | -6.94 | 24.26% | CHEMBL4110215 |
| Shikonin | NS3_HCV1A | Genome polyprotein | -6.96 | -6.45 | -7.45 | 29.65% | CHEMBL3951374 |
| Tideglusib | NS3_HCV1A | Genome polyprotein | -6.61 | -7.02 | -9.16 | 21.88% | CHEMBL4110215 |
| Ebselen | NS3_HCV1B | Genome polyprotein | -6.80 | -7.31 | -5.88 | 19.47% | CHEMBL1170417 |
| Shikonin | NS3_HCV1B | Genome polyprotein | -7.70 | -7.60 | -6.60 | 20.12% | CHEMBL3927196 |
| Tideglusib | NS3_HCV1B | Genome polyprotein | -9.12 | -8.05 | -7.22 | 20.06% | CHEMBL297884 |
| Ebselen | NS3_HCV3A | Genome polyprotein | -7.58 | -7.40 | -7.28 | N/A | N/A |
| Shikonin | NS3_HCV3A | Genome polyprotein | -7.10 | -7.12 | -7.40 | N/A | N/A |
| Tideglusib | NS3_HCV3A | Genome polyprotein | -7.67 | -7.61 | -7.54 | N/A | N/A |
| Ebselen | NS5B_HCV1A | Genome polyprotein | -6.96 | -7.62 | -7.62 | 24.22% | CHEMBL363650 |
| Shikonin | NS5B_HCV1A | Genome polyprotein | -7.82 | -8.96 | -8.52 | 35.10% | CHEMBL446360 |
| Tideglusib | NS5B_HCV1A | Genome polyprotein | -8.03 | -9.30 | -9.50 | 21.74% | CHEMBL363650 |
| Ebselen | NS5B_HCV1B | Genome polyprotein | -6.79 | -7.20 | -7.41 | 23.71% | CHEMBL99408 |
| Shikonin | NS5B_HCV1B | Genome polyprotein | -7.57 | -7.56 | -7.57 | 20.53% | CHEMBL3645197 |
| Tideglusib | NS5B_HCV1B | Genome polyprotein | -8.58 | -9.21 | -8.64 | 21.53% | CHEMBL3645202 |
| Ebselen | NS5B_HCV2A | Genome polyprotein | -7.95 | -7.75 | N/A | N/A | N/A |
| Shikonin | NS5B_HCV2A | Genome polyprotein | -8.80 | -8.35 | N/A | N/A | N/A |
| Tideglusib | NS5B_HCV2A | Genome polyprotein | -10.62 | -10.23 | N/A | N/A | N/A |
| Ebselen | NSP15_SARS | Replicase polyprotein 1ab | -5.96 | N/A | N/A | 22.99% | CHEMBL3105073 |
| Shikonin | NSP15_SARS | Replicase polyprotein 1ab | -6.87 | N/A | N/A | 21.90% | CHEMBL1092796 |
| Tideglusib | NSP15_SARS | Replicase polyprotein 1ab | -7.42 | N/A | N/A | 20.00% | CHEMBL2441745 |
| Ebselen | NSP15_SARS2 | Replicase polyprotein 1ab | -6.67 | N/A | N/A | N/A | N/A |
| Shikonin | NSP15_SARS2 | Replicase polyprotein 1ab | -7.44 | N/A | N/A | N/A | N/A |
| Tideglusib | NSP15_SARS2 | Replicase polyprotein 1ab | -7.32 | N/A | N/A | N/A | N/A |
| Ebselen | NSP1_INFB | Non-structural protein 1 | -6.20 | -6.19 | N/A | N/A | N/A |
| Shikonin | NSP1_INFB | Non-structural protein 1 | -6.09 | -5.51 | N/A | N/A | N/A |
| Tideglusib | NSP1_INFB | Non-structural protein 1 | -7.00 | -6.94 | N/A | N/A | N/A |
| Ebselen | NSP1_SARS | Replicase polyprotein 1ab | -5.56 | N/A | N/A | 22.99% | CHEMBL3105073 |
| Shikonin | NSP1_SARS | Replicase polyprotein 1ab | -6.65 | N/A | N/A | 21.90% | CHEMBL1092796 |
| Tideglusib | NSP1_SARS | Replicase polyprotein 1ab | -6.64 | N/A | N/A | 20.00% | CHEMBL2441745 |
| Ebselen | NSP3_HCoV-229E | Replicase polyprotein 1a | -7.92 | N/A | N/A | N/A | N/A |
| Shikonin | NSP3_HCoV-229E | Replicase polyprotein 1a | -8.40 | N/A | N/A | N/A | N/A |
| Tideglusib | NSP3_HCoV-229E | Replicase polyprotein 1a | -11.13 | N/A | N/A | N/A | N/A |
| Ebselen | NSP3_IBV | Replicase polyprotein 1a | -8.15 | N/A | N/A | N/A | N/A |
| Shikonin | NSP3_IBV | Replicase polyprotein 1a | -7.91 | N/A | N/A | N/A | N/A |
| Tideglusib | NSP3_IBV | Replicase polyprotein 1a | -10.77 | N/A | N/A | N/A | N/A |
| Ebselen | NSP3_MHV | Replicase polyprotein 1ab | -6.64 | N/A | N/A | N/A | N/A |
| Shikonin | NSP3_MHV | Replicase polyprotein 1ab | -6.67 | N/A | N/A | N/A | N/A |
| Tideglusib | NSP3_MHV | Replicase polyprotein 1ab | -7.08 | N/A | N/A | N/A | N/A |
| Ebselen | NSP3_SARS2 | Replicase polyprotein 1ab | -7.25 | N/A | N/A | N/A | N/A |
| Shikonin | NSP3_SARS2 | Replicase polyprotein 1ab | -7.47 | N/A | N/A | N/A | N/A |
| Tideglusib | NSP3_SARS2 | Replicase polyprotein 1ab | -8.17 | N/A | N/A | N/A | N/A |
| Ebselen | NSP9_HCoV-229E | Replicase polyprotein 1ab | -5.95 | -5.89 | N/A | N/A | N/A |
| Shikonin | NSP9_HCoV-229E | Replicase polyprotein 1ab | -6.03 | -6.27 | N/A | N/A | N/A |
| Tideglusib | NSP9_HCoV-229E | Replicase polyprotein 1ab | -8.61 | -6.96 | N/A | N/A | N/A |
| Ebselen | PA_A-H17N10 | Polymerase acidic protein | -6.07 | N/A | N/A | N/A | N/A |
| Shikonin | PA_A-H17N10 | Polymerase acidic protein | -6.95 | N/A | N/A | N/A | N/A |
| Tideglusib | PA_A-H17N10 | Polymerase acidic protein | -7.89 | N/A | N/A | N/A | N/A |
| Ebselen | PA_A-H1N1 | Polymerase acidic protein | -6.51 | -7.14 | -6.83 | N/A | N/A |
| Shikonin | PA_A-H1N1 | Polymerase acidic protein | -6.92 | -7.61 | -7.13 | N/A | N/A |
| Tideglusib | PA_A-H1N1 | Polymerase acidic protein | -8.91 | -8.67 | -8.58 | N/A | N/A |
| Ebselen | PA_A-H5N1 | Polymerase acidic protein | -6.83 | -6.27 | -6.80 | N/A | N/A |
| Shikonin | PA_A-H5N1 | Polymerase acidic protein | -7.42 | -7.46 | -7.26 | N/A | N/A |
| Tideglusib | PA_A-H5N1 | Polymerase acidic protein | -8.71 | -8.31 | -8.70 | N/A | N/A |
| Ebselen | PA_INFA | Polymerase acidic protein | -8.02 | -6.31 | -6.29 | 23.57% | CHEMBL278402 |
| Shikonin | PA_INFA | Polymerase acidic protein | -8.11 | -7.18 | -7.15 | 40.80% | CHEMBL573638 |
| Tideglusib | PA_INFA | Polymerase acidic protein | -9.91 | -7.70 | -8.53 | 22.22% | CHEMBL463590 |
| Ebselen | PA_INFB | Polymerase acidic protein | -7.16 | N/A | N/A | N/A | N/A |
| Shikonin | PA_INFB | Polymerase acidic protein | -6.99 | N/A | N/A | N/A | N/A |
| Tideglusib | PA_INFB | Polymerase acidic protein | -8.50 | N/A | N/A | N/A | N/A |
| Ebselen | PB2_A-H3N2 | Polymerase basic protein 2 | -6.96 | -7.61 | N/A | N/A | N/A |
| Shikonin | PB2_A-H3N2 | Polymerase basic protein 2 | -7.85 | -8.57 | N/A | N/A | N/A |
| Tideglusib | PB2_A-H3N2 | Polymerase basic protein 2 | -8.39 | -9.07 | N/A | N/A | N/A |
| Ebselen | PB2_A-H5N1 | Polymerase basic protein 2 | -6.93 | -7.03 | -7.38 | N/A | N/A |
| Shikonin | PB2_A-H5N1 | Polymerase basic protein 2 | -7.15 | -7.30 | -8.05 | N/A | N/A |
| Tideglusib | PB2_A-H5N1 | Polymerase basic protein 2 | -7.92 | -7.64 | -9.17 | N/A | N/A |
| Ebselen | PB2_INFB | Polymerase basic protein 2 | -7.60 | N/A | N/A | N/A | N/A |
| Shikonin | PB2_INFB | Polymerase basic protein 2 | -8.61 | N/A | N/A | N/A | N/A |
| Tideglusib | PB2_INFB | Polymerase basic protein 2 | -9.48 | N/A | N/A | N/A | N/A |
| Ebselen | PB3_A-H3N2 | Polymerase basic protein 2 | -7.58 | N/A | N/A | N/A | N/A |
| Shikonin | PB3_A-H3N2 | Polymerase basic protein 2 | -8.66 | N/A | N/A | N/A | N/A |
| Tideglusib | PB3_A-H3N2 | Polymerase basic protein 2 | -9.12 | N/A | N/A | N/A | N/A |
| Ebselen | PB4_A-H3N2 | Polymerase basic protein 2 | -7.31 | N/A | N/A | N/A | N/A |
| Shikonin | PB4_A-H3N2 | Polymerase basic protein 2 | -8.47 | N/A | N/A | N/A | N/A |
| Tideglusib | PB4_A-H3N2 | Polymerase basic protein 2 | -9.03 | N/A | N/A | N/A | N/A |
| Ebselen | PLP_SARS | Replicase polyprotein 1a | -7.72 | -7.72 | -7.65 | 21.11% | CHEMBL222893 |
| Shikonin | PLP_SARS | Replicase polyprotein 1a | -8.69 | -8.05 | -8.14 | 25.13% | CHEMBL213543 |
| Tideglusib | PLP_SARS | Replicase polyprotein 1a | -8.62 | -9.81 | -9.38 | 21.00% | CHEMBL222893 |
| Ebselen | PLP_SARS2 | papain-like protease | -5.54 | N/A | N/A | N/A | N/A |
| Shikonin | PLP_SARS2 | papain-like protease | -6.55 | N/A | N/A | N/A | N/A |
| Tideglusib | PLP_SARS2 | papain-like protease | -6.47 | N/A | N/A | N/A | N/A |
| Ebselen | PR_FCoV | Replicase polyprotein 1ab | -6.56 | N/A | N/A | N/A | N/A |
| Shikonin | PR_FCoV | Replicase polyprotein 1ab | -6.74 | N/A | N/A | N/A | N/A |
| Tideglusib | PR_FCoV | Replicase polyprotein 1ab | -7.59 | N/A | N/A | N/A | N/A |
| Ebselen | PR_HCoV-229E | Replicase polyprotein 1a | -6.43 | -6.36 | N/A | N/A | N/A |
| Shikonin | PR_HCoV-229E | Replicase polyprotein 1a | -6.58 | -6.42 | N/A | N/A | N/A |
| Tideglusib | PR_HCoV-229E | Replicase polyprotein 1a | -7.99 | -7.29 | N/A | N/A | N/A |
| Ebselen | PR_HCoV-NL63 | Replicase polyprotein 1a | -4.68 | -6.86 | N/A | N/A | N/A |
| Shikonin | PR_HCoV-NL63 | Replicase polyprotein 1a | -5.43 | -7.05 | N/A | N/A | N/A |
| Tideglusib | PR_HCoV-NL63 | Replicase polyprotein 1a | -5.53 | -8.21 | N/A | N/A | N/A |
| Ebselen | PR_HIV1 | Gag-Pol polyprotein | -6.55 | -6.34 | -6.18 | 17.31% | CHEMBL494500 |
| Shikonin | PR_HIV1 | Gag-Pol polyprotein | -6.73 | -6.71 | -6.65 | 21.08% | CHEMBL492666 |
| Tideglusib | PR_HIV1 | Gag-Pol polyprotein | -7.34 | -6.96 | -7.40 | 18.26% | CHEMBL492666 |
| Ebselen | PR_HIV2 | Gag-Pol polyprotein | -6.92 | -5.45 | N/A | N/A | N/A |
| Shikonin | PR_HIV2 | Gag-Pol polyprotein | -7.11 | -5.94 | N/A | N/A | N/A |
| Tideglusib | PR_HIV2 | Gag-Pol polyprotein | -7.96 | -6.96 | N/A | N/A | N/A |
| Ebselen | PR_HKU1 | Replicase polyprotein 1a | -6.57 | N/A | N/A | N/A | N/A |
| Shikonin | PR_HKU1 | Replicase polyprotein 1a | -6.07 | N/A | N/A | N/A | N/A |
| Tideglusib | PR_HKU1 | Replicase polyprotein 1a | -7.32 | N/A | N/A | N/A | N/A |
| Ebselen | PR_HKU4 | Replicase polyprotein 1ab | -6.21 | -6.59 | -6.58 | N/A | N/A |
| Shikonin | PR_HKU4 | Replicase polyprotein 1ab | -6.81 | -6.88 | -7.09 | N/A | N/A |
| Tideglusib | PR_HKU4 | Replicase polyprotein 1ab | -7.40 | -8.14 | -8.20 | N/A | N/A |
| Ebselen | PR_IBV | Replicase polyprotein 1a | -6.26 | N/A | N/A | N/A | N/A |
| Shikonin | PR_IBV | Replicase polyprotein 1a | -6.84 | N/A | N/A | N/A | N/A |
| Tideglusib | PR_IBV | Replicase polyprotein 1a | -8.29 | N/A | N/A | N/A | N/A |
| Ebselen | PR_MERs | 3C-like proteinase | -6.31 | -6.44 | N/A | N/A | N/A |
| Shikonin | PR_MERs | 3C-like proteinase | -6.60 | -7.25 | N/A | N/A | N/A |
| Tideglusib | PR_MERs | 3C-like proteinase | -7.49 | -8.38 | N/A | N/A | N/A |
| Ebselen | PR_PEDV | 3C-like proteinase | -6.33 | N/A | N/A | N/A | N/A |
| Shikonin | PR_PEDV | 3C-like proteinase | -6.98 | N/A | N/A | N/A | N/A |
| Tideglusib | PR_PEDV | 3C-like proteinase | -8.11 | N/A | N/A | N/A | N/A |
| Ebselen | PR_SARS | Replicase polyprotein 1ab | -6.76 | -6.91 | -6.25 | 22.99% | CHEMBL3105073 |
| Shikonin | PR_SARS | Replicase polyprotein 1ab | -6.71 | -7.37 | -6.89 | 21.90% | CHEMBL1092796 |
| Tideglusib | PR_SARS | Replicase polyprotein 1ab | -7.92 | -7.28 | -7.87 | 20.00% | CHEMBL2441745 |
| Ebselen | PR_SARS2 | 3C-like protease | -6.55 | N/A | N/A | N/A | N/A |
| Shikonin | PR_SARS2 | 3C-like protease | -6.92 | N/A | N/A | N/A | N/A |
| Tideglusib | PR_SARS2 | 3C-like protease | -7.72 | N/A | N/A | N/A | N/A |
| Ebselen | PR_TGEV | Replicase polyprotein 1a | -6.67 | N/A | N/A | N/A | N/A |
| Shikonin | PR_TGEV | Replicase polyprotein 1a | -6.66 | N/A | N/A | N/A | N/A |
| Tideglusib | PR_TGEV | Replicase polyprotein 1a | -7.18 | N/A | N/A | N/A | N/A |
| Ebselen | RDRP_SARS2 | RNA-dependent RNA polymerase | -5.74 | N/A | N/A | 12.82% | CHEMBL4065616 |
| Shikonin | RDRP_SARS2 | RNA-dependent RNA polymerase | -5.88 | N/A | N/A | 17.04% | CHEMBL4065616 |
| Tideglusib | RDRP_SARS2 | RNA-dependent RNA polymerase | -6.85 | N/A | N/A | 17.50% | CHEMBL4065616 |
| Ebselen | RT_HIV1 | Gag-Pol polyprotein | -8.66 | -9.09 | -8.80 | 24.60% | CHEMBL4108806 |
| Shikonin | RT_HIV1 | Gag-Pol polyprotein | -10.00 | -9.87 | -9.00 | 40.15% | CHEMBL3775172 |
| Tideglusib | RT_HIV1 | Gag-Pol polyprotein | -10.70 | -10.00 | -10.41 | 23.51% | CHEMBL3928841 |
| Ebselen | SPIKE_HCoV-229E | Spike glycoprotein | -4.87 | N/A | N/A | N/A | N/A |
| Shikonin | SPIKE_HCoV-229E | Spike glycoprotein | -4.82 | N/A | N/A | N/A | N/A |
| Tideglusib | SPIKE_HCoV-229E | Spike glycoprotein | -5.86 | N/A | N/A | N/A | N/A |
| Ebselen | SPIKE_HCoV-NL63 | Spike glycoprotein | -5.13 | N/A | N/A | N/A | N/A |
| Shikonin | SPIKE_HCoV-NL63 | Spike glycoprotein | -5.94 | N/A | N/A | N/A | N/A |
| Tideglusib | SPIKE_HCoV-NL63 | Spike glycoprotein | -7.34 | N/A | N/A | N/A | N/A |
| Ebselen | SPIKE_HCoV-OC43 | Spike glycoprotein | -5.44 | N/A | N/A | N/A | N/A |
| Shikonin | SPIKE_HCoV-OC43 | Spike glycoprotein | -6.36 | N/A | N/A | N/A | N/A |
| Tideglusib | SPIKE_HCoV-OC43 | Spike glycoprotein | -7.04 | N/A | N/A | N/A | N/A |
| Ebselen | SPIKE_HKU4 | Spike glycoprotein | -5.67 | N/A | N/A | N/A | N/A |
| Shikonin | SPIKE_HKU4 | Spike glycoprotein | -8.28 | N/A | N/A | N/A | N/A |
| Tideglusib | SPIKE_HKU4 | Spike glycoprotein | -7.41 | N/A | N/A | N/A | N/A |
| Ebselen | SPIKE_IBV | Spike glycoprotein | -5.33 | N/A | N/A | N/A | N/A |
| Shikonin | SPIKE_IBV | Spike glycoprotein | -5.48 | N/A | N/A | N/A | N/A |
| Tideglusib | SPIKE_IBV | Spike glycoprotein | -6.49 | N/A | N/A | N/A | N/A |
| Ebselen | SPIKE_MERs | Spike glycoprotein | -6.06 | -5.56 | -4.90 | N/A | N/A |
| Shikonin | SPIKE_MERs | Spike glycoprotein | -6.57 | -6.07 | -5.44 | N/A | N/A |
| Tideglusib | SPIKE_MERs | Spike glycoprotein | -7.20 | -7.00 | -6.24 | N/A | N/A |
| Ebselen | SPIKE_MHV | Spike glycoprotein | -6.26 | N/A | N/A | N/A | N/A |
| Shikonin | SPIKE_MHV | Spike glycoprotein | -6.61 | N/A | N/A | N/A | N/A |
| Tideglusib | SPIKE_MHV | Spike glycoprotein | -7.06 | N/A | N/A | N/A | N/A |
| Ebselen | SPIKE_PDCoV | Spike protein | -5.37 | N/A | N/A | N/A | N/A |
| Shikonin | SPIKE_PDCoV | Spike protein | -5.90 | N/A | N/A | N/A | N/A |
| Tideglusib | SPIKE_PDCoV | Spike protein | -7.00 | N/A | N/A | N/A | N/A |
| Ebselen | SPIKE_SARS | Spike glycoprotein | -5.76 | -6.18 | N/A | N/A | N/A |
| Shikonin | SPIKE_SARS | Spike glycoprotein | -7.12 | -6.31 | N/A | N/A | N/A |
| Tideglusib | SPIKE_SARS | Spike glycoprotein | -7.25 | -7.15 | N/A | N/A | N/A |
| Ebselen | SPIKE_SARS2 | Spike glycoprotein | -5.31 | -5.30 | -5.72 | N/A | N/A |
| Shikonin | SPIKE_SARS2 | Spike glycoprotein | -5.74 | -6.44 | -6.29 | N/A | N/A |
| Tideglusib | SPIKE_SARS2 | Spike glycoprotein | -6.53 | -6.76 | -7.18 | N/A | N/A |