| Ligand | Protein Symbol | Approved Name | Docking Scores |
Similarity Score |
Best Match | ||
|---|---|---|---|---|---|---|---|
| Model 1 | Model 2 | Model 3 | |||||
| MOLECULE 78 | ACE2_HUMAN | angiotensin converting enzyme 2 | -10.46 | N/A | N/A | 23.68% | CHEMBL1240682 |
| MOLECULE 20 | ACE2_HUMAN | angiotensin converting enzyme 2 | -11.39 | N/A | N/A | 19.87% | CHEMBL401397 |
| MOLECULE 78 | GP160_HIV1 | Envelope glycoprotein gp160 | -8.11 | -6.86 | -7.61 | N/A | N/A |
| MOLECULE 20 | GP160_HIV1 | Envelope glycoprotein gp160 | -7.87 | -7.48 | -6.96 | N/A | N/A |
| MOLECULE 78 | GP160_HIV2 | Envelope glycoprotein gp160 | -7.45 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | GP160_HIV2 | Envelope glycoprotein gp160 | -7.73 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | GP_EBOV | Envelope glycoprotein | -8.89 | -8.57 | -8.22 | 23.93% | CHEMBL3125898 |
| MOLECULE 20 | GP_EBOV | Envelope glycoprotein | -8.59 | 26.54 | -5.24 | 14.79% | CHEMBL3125899 |
| MOLECULE 78 | HA_A-H10N7 | Hemagglutinin | -7.56 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | HA_A-H10N7 | Hemagglutinin | -7.33 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | HA_A-H10N8 | Hemagglutinin | -8.01 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | HA_A-H10N8 | Hemagglutinin | -7.63 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | HA_A-H13N6 | Hemagglutinin | -7.12 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | HA_A-H13N6 | Hemagglutinin | ? | N/A | N/A | N/A | N/A |
| MOLECULE 78 | HA_A-H14N6 | Hemagglutinin | -7.73 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | HA_A-H14N6 | Hemagglutinin | -6.68 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | HA_A-H15N9 | Hemagglutinin | -6.71 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | HA_A-H15N9 | Hemagglutinin | -7.71 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | HA_A-H17N10 | Hemagglutinin | -7.15 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | HA_A-H17N10 | Hemagglutinin | -7.00 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | HA_A-H18N11 | Hemagglutinin | -6.78 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | HA_A-H18N11 | Hemagglutinin | -7.36 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | HA_A-H1N1 | Hemagglutinin | -8.18 | -7.56 | N/A | N/A | N/A |
| MOLECULE 20 | HA_A-H1N1 | Hemagglutinin | -6.77 | -6.94 | N/A | N/A | N/A |
| MOLECULE 78 | HA_A-H2N2 | Hemagglutinin | -7.16 | -7.08 | N/A | N/A | N/A |
| MOLECULE 20 | HA_A-H2N2 | Hemagglutinin | -8.24 | -7.40 | N/A | N/A | N/A |
| MOLECULE 78 | HA_A-H3N2 | Hemagglutinin | -6.85 | -6.90 | -7.49 | N/A | N/A |
| MOLECULE 20 | HA_A-H3N2 | Hemagglutinin | -8.03 | -7.39 | -7.32 | N/A | N/A |
| MOLECULE 78 | HA_A-H3N8 | Hemagglutinin | -6.31 | -7.45 | -7.32 | N/A | N/A |
| MOLECULE 20 | HA_A-H3N8 | Hemagglutinin | -7.58 | -7.05 | -7.51 | N/A | N/A |
| MOLECULE 78 | HA_A-H5N1 | Hemagglutinin | -7.29 | -6.58 | -7.11 | N/A | N/A |
| MOLECULE 20 | HA_A-H5N1 | Hemagglutinin | -7.36 | -6.92 | -7.43 | N/A | N/A |
| MOLECULE 78 | HA_A-H5N3 | Hemagglutinin | -7.33 | -7.06 | N/A | N/A | N/A |
| MOLECULE 20 | HA_A-H5N3 | Hemagglutinin | -6.73 | -7.22 | N/A | N/A | N/A |
| MOLECULE 78 | HA_A-H6N1 | Hemagglutinin | -8.01 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | HA_A-H6N1 | Hemagglutinin | -7.63 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | HA_A-H6N6 | Hemagglutinin | -7.37 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | HA_A-H6N6 | Hemagglutinin | -6.39 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | HA_A-H7N2 | Hemagglutinin | -7.68 | -6.08 | -6.71 | N/A | N/A |
| MOLECULE 20 | HA_A-H7N2 | Hemagglutinin | -7.09 | -5.99 | -6.04 | N/A | N/A |
| MOLECULE 78 | HA_A-H7N7 | Hemagglutinin | -7.03 | -6.77 | N/A | N/A | N/A |
| MOLECULE 20 | HA_A-H7N7 | Hemagglutinin | -7.51 | -7.85 | N/A | N/A | N/A |
| MOLECULE 78 | HA_A-H7N9 | Hemagglutinin | -7.54 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | HA_A-H7N9 | Hemagglutinin | -7.78 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | HA_INFB | Hemagglutinin | -7.30 | -7.53 | N/A | N/A | N/A |
| MOLECULE 20 | HA_INFB | Hemagglutinin | -8.03 | -7.65 | N/A | N/A | N/A |
| MOLECULE 78 | HA_INFD | Hemagglutinin-esterase-fusion glycoprotein | -6.68 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | HA_INFD | Hemagglutinin-esterase-fusion glycoprotein | ? | N/A | N/A | N/A | N/A |
| MOLECULE 78 | HE_BCV | Hemagglutinin-esterase | -8.37 | -8.29 | N/A | N/A | N/A |
| MOLECULE 20 | HE_BCV | Hemagglutinin-esterase | -7.83 | -7.84 | N/A | N/A | N/A |
| MOLECULE 78 | HE_HCoV-OC43 | Hemagglutinin-esterase | -7.71 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | HE_HCoV-OC43 | Hemagglutinin-esterase | -6.74 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | HE_MHV | Hemagglutinin-esterase | -6.90 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | HE_MHV | Hemagglutinin-esterase | -7.00 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | IN_HIV1 | Gag-Pol polyprotein | -6.42 | -6.52 | N/A | N/A | N/A |
| MOLECULE 20 | IN_HIV1 | Gag-Pol polyprotein | -6.20 | -6.96 | N/A | N/A | N/A |
| MOLECULE 78 | MD_HKU4 | Replicase polyprotein 1ab | -9.13 | -8.05 | -9.17 | N/A | N/A |
| MOLECULE 20 | MD_HKU4 | Replicase polyprotein 1ab | -9.16 | -8.43 | -9.20 | N/A | N/A |
| MOLECULE 78 | MD_MERs | Replicase polyprotein 1a | -10.53 | -9.89 | N/A | N/A | N/A |
| MOLECULE 20 | MD_MERs | Replicase polyprotein 1a | -8.96 | -9.89 | N/A | N/A | N/A |
| MOLECULE 78 | MTASE_SARS2 | Methyltransferase | -6.88 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | MTASE_SARS2 | Methyltransferase | -8.60 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | MTASE_SARS2 | Methyltransferase | -7.42 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | MTASE_SARS2 | Methyltransferase | -9.67 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | MX2_A-H5N1 | Matrix protein 2 | ? | N/A | N/A | N/A | N/A |
| MOLECULE 20 | MX2_A-H5N1 | Matrix protein 2 | ? | N/A | N/A | N/A | N/A |
| MOLECULE 78 | NA_A-H11N6 | Neuraminidase | -9.20 | -8.08 | -9.36 | N/A | N/A |
| MOLECULE 20 | NA_A-H11N6 | Neuraminidase | 21.54 | 35.48 | 44.08 | N/A | N/A |
| MOLECULE 78 | NA_A-H11N9 | Neuraminidase | -6.25 | -9.65 | -8.97 | N/A | N/A |
| MOLECULE 20 | NA_A-H11N9 | Neuraminidase | -7.75 | -5.05 | -2.19 | N/A | N/A |
| MOLECULE 78 | NA_A-H12N5 | Neuraminidase | -9.74 | -8.05 | -9.10 | N/A | N/A |
| MOLECULE 20 | NA_A-H12N5 | Neuraminidase | -3.71 | 43.48 | -5.17 | N/A | N/A |
| MOLECULE 78 | NA_A-H13N9 | Neuraminidase | -6.09 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | NA_A-H13N9 | Neuraminidase | -7.93 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | NA_A-H17N10 | Neuraminidase | -8.68 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | NA_A-H17N10 | Neuraminidase | -0.44 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | NA_A-H18N11 | Neuraminidase | -8.45 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | NA_A-H18N11 | Neuraminidase | -6.05 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | NA_A-H1N1 | Neuraminidase | -9.24 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | NA_A-H1N1 | Neuraminidase | -7.82 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | NA_A-H2N2 | Neuraminidase | -9.16 | -8.82 | -9.32 | N/A | N/A |
| MOLECULE 20 | NA_A-H2N2 | Neuraminidase | 23.42 | -0.18 | -7.64 | N/A | N/A |
| MOLECULE 78 | NA_A-H3N2 | Ig heavy chain Mem5 | -8.66 | -8.66 | N/A | N/A | N/A |
| MOLECULE 20 | NA_A-H3N2 | Ig heavy chain Mem5 | -9.65 | -8.13 | N/A | N/A | N/A |
| MOLECULE 78 | NA_A-H3N8 | Neuraminidase | -9.76 | -9.61 | -9.58 | N/A | N/A |
| MOLECULE 20 | NA_A-H3N8 | Neuraminidase | -5.81 | -7.91 | 3.14 | N/A | N/A |
| MOLECULE 78 | NA_A-H5N1 | Neuraminidase | -9.50 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | NA_A-H5N1 | Neuraminidase | -5.37 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | NA_A-H7N9 | Neuraminidase | -9.20 | -8.10 | -8.40 | N/A | N/A |
| MOLECULE 20 | NA_A-H7N9 | Neuraminidase | -3.86 | 43.21 | 35.16 | N/A | N/A |
| MOLECULE 78 | NA_INFB | Neuraminidase | -8.43 | -8.35 | N/A | 22.09% | CHEMBL4175983 |
| MOLECULE 20 | NA_INFB | Neuraminidase | 30.56 | 60.53 | N/A | 12.15% | CHEMBL4175983 |
| MOLECULE 78 | NP_A-H1N1 | Nucleoprotein | -6.78 | -8.29 | -6.53 | N/A | N/A |
| MOLECULE 20 | NP_A-H1N1 | Nucleoprotein | -7.06 | -5.28 | -7.87 | N/A | N/A |
| MOLECULE 78 | NP_A-H5N1 | Nucleoprotein | -7.56 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | NP_A-H5N1 | Nucleoprotein | -7.47 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | NP_HCoV-NL63 | Nucleoprotein | -8.41 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | NP_HCoV-NL63 | Nucleoprotein | -7.57 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | NP_HCoV-OC43 | Nucleoprotein | -9.44 | -7.60 | -6.93 | 15.93% | CHEMBL3233481 |
| MOLECULE 20 | NP_HCoV-OC43 | Nucleoprotein | -9.36 | -7.70 | -5.56 | 13.14% | CHEMBL3233481 |
| MOLECULE 78 | NP_INFB | Nucleoprotein | -6.38 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | NP_INFB | Nucleoprotein | -7.40 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | NP_INFD | NP | -5.39 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | NP_INFD | NP | -6.27 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | NP_SARS | Nucleoprotein | -8.90 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | NP_SARS | Nucleoprotein | -7.79 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | NS3_HCV1A | Genome polyprotein | -6.58 | -7.28 | -8.13 | 40.81% | CHEMBL3920850 |
| MOLECULE 20 | NS3_HCV1A | Genome polyprotein | -8.63 | -7.08 | -7.96 | 19.74% | CHEMBL3948327 |
| MOLECULE 78 | NS3_HCV1B | Genome polyprotein | -6.87 | -7.39 | -7.03 | 28.28% | CHEMBL297884 |
| MOLECULE 20 | NS3_HCV1B | Genome polyprotein | -7.55 | -8.24 | -6.94 | 19.23% | CHEMBL1170417 |
| MOLECULE 78 | NS3_HCV3A | Genome polyprotein | -8.71 | -8.29 | -8.13 | N/A | N/A |
| MOLECULE 20 | NS3_HCV3A | Genome polyprotein | -7.14 | -8.01 | -7.78 | N/A | N/A |
| MOLECULE 78 | NS5B_HCV1A | Genome polyprotein | -9.50 | -10.84 | -10.71 | 33.75% | CHEMBL353549 |
| MOLECULE 20 | NS5B_HCV1A | Genome polyprotein | -11.25 | -8.12 | -9.29 | 22.45% | CHEMBL354813 |
| MOLECULE 78 | NS5B_HCV1B | Genome polyprotein | -7.85 | -9.71 | -8.93 | 31.14% | CHEMBL3645204 |
| MOLECULE 20 | NS5B_HCV1B | Genome polyprotein | -9.35 | -8.58 | -8.53 | 17.49% | CHEMBL3645203 |
| MOLECULE 78 | NS5B_HCV2A | Genome polyprotein | -9.01 | -3.34 | N/A | N/A | N/A |
| MOLECULE 20 | NS5B_HCV2A | Genome polyprotein | -8.71 | 16.35 | N/A | N/A | N/A |
| MOLECULE 78 | NSP15_SARS | Replicase polyprotein 1ab | -6.93 | N/A | N/A | 19.29% | CHEMBL2441745 |
| MOLECULE 20 | NSP15_SARS | Replicase polyprotein 1ab | ? | N/A | N/A | ? | ? |
| MOLECULE 78 | NSP15_SARS2 | Replicase polyprotein 1ab | -8.39 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | NSP15_SARS2 | Replicase polyprotein 1ab | ? | N/A | N/A | N/A | N/A |
| MOLECULE 78 | NSP1_INFB | Non-structural protein 1 | -6.88 | -7.22 | N/A | N/A | N/A |
| MOLECULE 20 | NSP1_INFB | Non-structural protein 1 | -6.33 | -7.05 | N/A | N/A | N/A |
| MOLECULE 78 | NSP1_SARS | Replicase polyprotein 1ab | -7.36 | N/A | N/A | 19.29% | CHEMBL2441745 |
| MOLECULE 20 | NSP1_SARS | Replicase polyprotein 1ab | ? | N/A | N/A | ? | ? |
| MOLECULE 78 | NSP3_HCoV-229E | Replicase polyprotein 1a | -10.01 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | NSP3_HCoV-229E | Replicase polyprotein 1a | -7.93 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | NSP3_IBV | Replicase polyprotein 1a | -9.46 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | NSP3_IBV | Replicase polyprotein 1a | -8.48 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | NSP3_MHV | Replicase polyprotein 1ab | -6.90 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | NSP3_MHV | Replicase polyprotein 1ab | ? | N/A | N/A | N/A | N/A |
| MOLECULE 78 | NSP3_SARS2 | Replicase polyprotein 1ab | -8.77 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | NSP3_SARS2 | Replicase polyprotein 1ab | -7.27 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | NSP9_HCoV-229E | Replicase polyprotein 1ab | -7.83 | -7.39 | N/A | N/A | N/A |
| MOLECULE 20 | NSP9_HCoV-229E | Replicase polyprotein 1ab | 22.32 | ? | N/A | N/A | N/A |
| MOLECULE 78 | PA_A-H17N10 | Polymerase acidic protein | -8.70 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | PA_A-H17N10 | Polymerase acidic protein | -6.27 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | PA_A-H1N1 | Polymerase acidic protein | -9.64 | -9.08 | -9.38 | N/A | N/A |
| MOLECULE 20 | PA_A-H1N1 | Polymerase acidic protein | -8.77 | -7.52 | -8.99 | N/A | N/A |
| MOLECULE 78 | PA_A-H5N1 | Polymerase acidic protein | -9.81 | -10.38 | -10.43 | N/A | N/A |
| MOLECULE 20 | PA_A-H5N1 | Polymerase acidic protein | -6.66 | -5.29 | -9.76 | N/A | N/A |
| MOLECULE 78 | PA_INFA | Polymerase acidic protein | -10.40 | -9.47 | -9.75 | 29.03% | CHEMBL2040578 |
| MOLECULE 20 | PA_INFA | Polymerase acidic protein | -8.07 | -8.50 | -6.10 | 16.03% | CHEMBL1829211 |
| MOLECULE 78 | PA_INFB | Polymerase acidic protein | -8.97 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | PA_INFB | Polymerase acidic protein | -7.87 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | PB2_A-H3N2 | Polymerase basic protein 2 | -8.99 | -7.76 | N/A | N/A | N/A |
| MOLECULE 20 | PB2_A-H3N2 | Polymerase basic protein 2 | -7.68 | -6.41 | N/A | N/A | N/A |
| MOLECULE 78 | PB2_A-H5N1 | Polymerase basic protein 2 | -9.07 | -7.63 | -8.29 | N/A | N/A |
| MOLECULE 20 | PB2_A-H5N1 | Polymerase basic protein 2 | -8.01 | -8.01 | -7.64 | N/A | N/A |
| MOLECULE 78 | PB2_INFB | Polymerase basic protein 2 | -8.20 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | PB2_INFB | Polymerase basic protein 2 | -6.56 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | PB3_A-H3N2 | Polymerase basic protein 2 | -7.73 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | PB3_A-H3N2 | Polymerase basic protein 2 | -6.74 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | PB4_A-H3N2 | Polymerase basic protein 2 | -8.69 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | PB4_A-H3N2 | Polymerase basic protein 2 | -8.11 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | PLP_SARS | Replicase polyprotein 1a | -9.49 | -9.12 | -9.02 | 25.65% | CHEMBL222769 |
| MOLECULE 20 | PLP_SARS | Replicase polyprotein 1a | -8.79 | -10.15 | -7.93 | 24.70% | CHEMBL212218 |
| MOLECULE 78 | PLP_SARS2 | papain-like protease | -7.08 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | PLP_SARS2 | papain-like protease | -7.08 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | PR_FCoV | Replicase polyprotein 1ab | -9.74 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | PR_FCoV | Replicase polyprotein 1ab | -7.99 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | PR_HCoV-229E | Replicase polyprotein 1a | -7.46 | -7.85 | N/A | N/A | N/A |
| MOLECULE 20 | PR_HCoV-229E | Replicase polyprotein 1a | -8.22 | -7.88 | N/A | N/A | N/A |
| MOLECULE 78 | PR_HCoV-NL63 | Replicase polyprotein 1a | -5.07 | -8.53 | N/A | N/A | N/A |
| MOLECULE 20 | PR_HCoV-NL63 | Replicase polyprotein 1a | -4.91 | -7.99 | N/A | N/A | N/A |
| MOLECULE 78 | PR_HIV1 | Gag-Pol polyprotein | -7.69 | -7.35 | -7.25 | 25.55% | CHEMBL3645128 |
| MOLECULE 20 | PR_HIV1 | Gag-Pol polyprotein | -5.98 | -7.22 | -7.81 | 19.70% | CHEMBL450294 |
| MOLECULE 78 | PR_HIV2 | Gag-Pol polyprotein | -8.41 | -7.45 | N/A | N/A | N/A |
| MOLECULE 20 | PR_HIV2 | Gag-Pol polyprotein | -7.25 | -7.74 | N/A | N/A | N/A |
| MOLECULE 78 | PR_HKU1 | Replicase polyprotein 1a | -7.85 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | PR_HKU1 | Replicase polyprotein 1a | -6.87 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | PR_HKU4 | Replicase polyprotein 1ab | -8.64 | -8.42 | -7.98 | N/A | N/A |
| MOLECULE 20 | PR_HKU4 | Replicase polyprotein 1ab | -6.82 | -6.58 | -7.01 | N/A | N/A |
| MOLECULE 78 | PR_IBV | Replicase polyprotein 1a | -8.39 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | PR_IBV | Replicase polyprotein 1a | -7.47 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | PR_MERs | 3C-like proteinase | -8.02 | -8.00 | N/A | N/A | N/A |
| MOLECULE 20 | PR_MERs | 3C-like proteinase | -7.05 | -8.17 | N/A | N/A | N/A |
| MOLECULE 78 | PR_PEDV | 3C-like proteinase | -8.39 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | PR_PEDV | 3C-like proteinase | -7.13 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | PR_SARS | Replicase polyprotein 1ab | -7.98 | -7.71 | -8.29 | 19.29% | CHEMBL2441745 |
| MOLECULE 20 | PR_SARS | Replicase polyprotein 1ab | -7.79 | -7.59 | -7.54 | 15.25% | CHEMBL2441741 |
| MOLECULE 78 | PR_SARS2 | 3C-like protease | -8.86 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | PR_SARS2 | 3C-like protease | -8.44 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | PR_TGEV | Replicase polyprotein 1a | -7.91 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | PR_TGEV | Replicase polyprotein 1a | -7.80 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | RDRP_SARS2 | RNA-dependent RNA polymerase | -7.63 | N/A | N/A | 29.34% | CHEMBL4065616 |
| MOLECULE 20 | RDRP_SARS2 | RNA-dependent RNA polymerase | -8.89 | N/A | N/A | 11.15% | CHEMBL4065616 |
| MOLECULE 78 | RT_HIV1 | Gag-Pol polyprotein | -8.82 | -8.34 | -9.03 | 27.86% | CHEMBL4106920 |
| MOLECULE 20 | RT_HIV1 | Gag-Pol polyprotein | 12.68 | 7.55 | 45.07 | 21.50% | CHEMBL3683702 |
| MOLECULE 78 | SPIKE_HCoV-229E | Spike glycoprotein | -5.70 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | SPIKE_HCoV-229E | Spike glycoprotein | -6.53 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | SPIKE_HCoV-NL63 | Spike glycoprotein | -6.50 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | SPIKE_HCoV-NL63 | Spike glycoprotein | -7.02 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | SPIKE_HCoV-OC43 | Spike glycoprotein | -7.57 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | SPIKE_HCoV-OC43 | Spike glycoprotein | -8.18 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | SPIKE_HKU4 | Spike glycoprotein | -8.21 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | SPIKE_HKU4 | Spike glycoprotein | -8.11 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | SPIKE_IBV | Spike glycoprotein | -6.54 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | SPIKE_IBV | Spike glycoprotein | -6.52 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | SPIKE_MERs | Spike glycoprotein | -7.52 | -7.24 | -6.43 | N/A | N/A |
| MOLECULE 20 | SPIKE_MERs | Spike glycoprotein | -8.49 | -7.86 | -7.18 | N/A | N/A |
| MOLECULE 78 | SPIKE_MHV | Spike glycoprotein | -9.25 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | SPIKE_MHV | Spike glycoprotein | -8.12 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | SPIKE_PDCoV | Spike protein | -7.62 | N/A | N/A | N/A | N/A |
| MOLECULE 20 | SPIKE_PDCoV | Spike protein | -4.65 | N/A | N/A | N/A | N/A |
| MOLECULE 78 | SPIKE_SARS | Spike glycoprotein | -5.83 | -6.98 | N/A | N/A | N/A |
| MOLECULE 20 | SPIKE_SARS | Spike glycoprotein | -7.80 | -7.21 | N/A | N/A | N/A |
| MOLECULE 78 | SPIKE_SARS2 | Spike glycoprotein | -6.15 | -5.87 | -5.82 | N/A | N/A |
| MOLECULE 20 | SPIKE_SARS2 | Spike glycoprotein | -6.85 | -7.09 | -7.20 | N/A | N/A |