| Ligand | Protein Symbol | Approved Name | Docking Scores |
Similarity Score |
Best Match | ||
|---|---|---|---|---|---|---|---|
| Model 1 | Model 2 | Model 3 | |||||
| Paxlovid | 2A_HE71 | Genome polyprotein | -7.41 | N/A | N/A | N/A | N/A |
| Molnupiravir | 2A_HE71 | Genome polyprotein | -7.49 | N/A | N/A | N/A | N/A |
| Paxlovid | 2A_HE71M | Genome polyprotein | -6.98 | N/A | N/A | N/A | N/A |
| Molnupiravir | 2A_HE71M | Genome polyprotein | -7.51 | N/A | N/A | N/A | N/A |
| Paxlovid | 2C_HE71 | Genome polyprotein | -5.65 | -6.15 | N/A | N/A | N/A |
| Molnupiravir | 2C_HE71 | Genome polyprotein | -5.41 | -6.27 | N/A | N/A | N/A |
| Paxlovid | 3A_9ENTO | Genome polyprotein | -5.77 | N/A | N/A | N/A | N/A |
| Molnupiravir | 3A_9ENTO | Genome polyprotein | -5.95 | N/A | N/A | N/A | N/A |
| Paxlovid | 3A_HE71M | Genome polyprotein | -5.35 | N/A | N/A | N/A | N/A |
| Molnupiravir | 3A_HE71M | Genome polyprotein | -5.50 | N/A | N/A | N/A | N/A |
| Paxlovid | 3A_HED68 | Genome polyprotein | -6.52 | N/A | N/A | N/A | N/A |
| Molnupiravir | 3A_HED68 | Genome polyprotein | -5.78 | N/A | N/A | N/A | N/A |
| Paxlovid | 3C_HE71 | Genome polyprotein | -6.78 | -6.46 | N/A | N/A | N/A |
| Molnupiravir | 3C_HE71 | Genome polyprotein | -5.88 | -6.25 | N/A | N/A | N/A |
| Paxlovid | 3C_HED68 | Genome polyprotein | -5.54 | N/A | N/A | N/A | N/A |
| Molnupiravir | 3C_HED68 | Genome polyprotein | -5.47 | N/A | N/A | N/A | N/A |
| Paxlovid | 3D_HE71 | Genome polyprotein | -7.29 | N/A | N/A | N/A | N/A |
| Molnupiravir | 3D_HE71 | Genome polyprotein | -7.52 | N/A | N/A | N/A | N/A |
| Paxlovid | 3D_HED68 | Genome polyprotein | -7.96 | N/A | N/A | N/A | N/A |
| Molnupiravir | 3D_HED68 | Genome polyprotein | -7.33 | N/A | N/A | N/A | N/A |
| Paxlovid | ACE2_HUMAN | angiotensin converting enzyme 2 | -9.40 | N/A | N/A | 38.64% | CHEMBL254900 |
| Molnupiravir | ACE2_HUMAN | angiotensin converting enzyme 2 | -9.09 | N/A | N/A | 21.43% | CHEMBL429844 |
| Paxlovid | CAPSD_9CALI | Capsid protein | -7.25 | -7.13 | -7.40 | N/A | N/A |
| Molnupiravir | CAPSD_9CALI | Capsid protein | -7.01 | -6.94 | -7.75 | N/A | N/A |
| Paxlovid | CAPSD_9ENTO | Genome polyprotein | -6.60 | N/A | N/A | N/A | N/A |
| Molnupiravir | CAPSD_9ENTO | Genome polyprotein | -8.98 | N/A | N/A | N/A | N/A |
| Paxlovid | CAPSD_DEN2P | Genome polyprotein | -6.63 | N/A | N/A | N/A | N/A |
| Molnupiravir | CAPSD_DEN2P | Genome polyprotein | -5.67 | N/A | N/A | N/A | N/A |
| Paxlovid | CAPSD_HCV77 | Genome polyprotein | -4.50 | N/A | N/A | 60.67% | CHEMBL296588 |
| Molnupiravir | CAPSD_HCV77 | Genome polyprotein | -4.44 | N/A | N/A | 41.77% | CHEMBL3696815 |
| Paxlovid | CAPSD_HED68 | Capsid protein VP0 | -7.87 | -8.58 | N/A | N/A | N/A |
| Molnupiravir | CAPSD_HED68 | Capsid protein VP0 | -7.55 | -7.96 | N/A | N/A | N/A |
| Paxlovid | CAPSD_ZIKV | Core protein | -6.58 | -5.76 | N/A | N/A | N/A |
| Molnupiravir | CAPSD_ZIKV | Core protein | -5.90 | -5.24 | N/A | N/A | N/A |
| Paxlovid | DPM_HHV1K | DNA polymerase catalytic subunit | -7.67 | N/A | N/A | 16.31% | CHEMBL479371 |
| Molnupiravir | DPM_HHV1K | DNA polymerase catalytic subunit | -7.73 | N/A | N/A | 17.36% | CHEMBL479371 |
| Paxlovid | E1_9HEPC | Envelope glycoprotein E1 | -5.46 | N/A | N/A | N/A | N/A |
| Molnupiravir | E1_9HEPC | Envelope glycoprotein E1 | -5.28 | N/A | N/A | N/A | N/A |
| Paxlovid | E1_HCV77 | Genome polyprotein | -3.96 | N/A | N/A | 60.67% | CHEMBL296588 |
| Molnupiravir | E1_HCV77 | Genome polyprotein | -3.96 | N/A | N/A | 41.77% | CHEMBL3696815 |
| Paxlovid | E1_HCVJ1 | Genome polyprotein | -4.87 | N/A | N/A | N/A | N/A |
| Molnupiravir | E1_HCVJ1 | Genome polyprotein | -4.64 | N/A | N/A | N/A | N/A |
| Paxlovid | E2_9HEPC | Core protein precursor | -8.00 | N/A | N/A | N/A | N/A |
| Molnupiravir | E2_9HEPC | Core protein precursor | -8.23 | N/A | N/A | N/A | N/A |
| Paxlovid | E2_HCV77 | Genome polyprotein | -6.10 | N/A | N/A | 60.67% | CHEMBL296588 |
| Molnupiravir | E2_HCV77 | Genome polyprotein | -6.10 | N/A | N/A | 41.77% | CHEMBL3696815 |
| Paxlovid | ENV_9FLAV | Envelope protein E | -4.91 | N/A | N/A | N/A | N/A |
| Molnupiravir | ENV_9FLAV | Envelope protein E | -5.47 | N/A | N/A | N/A | N/A |
| Paxlovid | ENV_DEN1B | Genome polyprotein | -5.64 | N/A | N/A | N/A | N/A |
| Molnupiravir | ENV_DEN1B | Genome polyprotein | -4.79 | N/A | N/A | N/A | N/A |
| Paxlovid | ENV_DEN2P | Genome polyprotein | -6.76 | N/A | N/A | N/A | N/A |
| Molnupiravir | ENV_DEN2P | Genome polyprotein | -6.51 | N/A | N/A | N/A | N/A |
| Paxlovid | ENV_DEN3P | Genome polyprotein | -5.42 | N/A | N/A | N/A | N/A |
| Molnupiravir | ENV_DEN3P | Genome polyprotein | -5.58 | N/A | N/A | N/A | N/A |
| Paxlovid | ENV_HHV2H | Envelope glycoprotein H | -6.30 | N/A | N/A | N/A | N/A |
| Molnupiravir | ENV_HHV2H | Envelope glycoprotein H | -6.23 | N/A | N/A | N/A | N/A |
| Paxlovid | ENV_ZIKV | Core protein | -5.71 | N/A | N/A | N/A | N/A |
| Molnupiravir | ENV_ZIKV | Core protein | -5.83 | N/A | N/A | N/A | N/A |
| Paxlovid | ENV_ZIKVK | Genome polyprotein | -5.84 | N/A | N/A | N/A | N/A |
| Molnupiravir | ENV_ZIKVK | Genome polyprotein | -5.96 | N/A | N/A | N/A | N/A |
| Paxlovid | G1_ADNV | Envelope polyprotein | -3.58 | -6.01 | -6.16 | N/A | N/A |
| Molnupiravir | G1_ADNV | Envelope polyprotein | -4.09 | -6.30 | -5.95 | N/A | N/A |
| Paxlovid | G2_ADNV | Envelope polyprotein | -7.01 | -7.23 | -6.41 | N/A | N/A |
| Molnupiravir | G2_ADNV | Envelope polyprotein | -8.24 | -7.79 | -6.92 | N/A | N/A |
| Paxlovid | GB_HHV11 | Envelope glycoprotein B | -6.84 | N/A | N/A | N/A | N/A |
| Molnupiravir | GB_HHV11 | Envelope glycoprotein B | -6.38 | N/A | N/A | N/A | N/A |
| Paxlovid | GB_HHV1K | Envelope glycoprotein B | -6.99 | -7.22 | N/A | N/A | N/A |
| Molnupiravir | GB_HHV1K | Envelope glycoprotein B | -6.64 | -6.60 | N/A | N/A | N/A |
| Paxlovid | GD_9ALPH | Glycoprotein D | -6.93 | -6.40 | N/A | N/A | N/A |
| Molnupiravir | GD_9ALPH | Glycoprotein D | -6.87 | -6.25 | N/A | N/A | N/A |
| Paxlovid | GD_HHV1 | Glycoprotein D | -6.11 | N/A | N/A | N/A | N/A |
| Molnupiravir | GD_HHV1 | Glycoprotein D | -6.14 | N/A | N/A | N/A | N/A |
| Paxlovid | GP160_HIV1 | Envelope glycoprotein gp160 | -6.83 | -7.22 | -7.33 | N/A | N/A |
| Molnupiravir | GP160_HIV1 | Envelope glycoprotein gp160 | -6.32 | -6.36 | -6.27 | N/A | N/A |
| Paxlovid | GP160_HIV2 | Envelope glycoprotein gp160 | -6.61 | N/A | N/A | N/A | N/A |
| Molnupiravir | GP160_HIV2 | Envelope glycoprotein gp160 | -6.86 | N/A | N/A | N/A | N/A |
| Paxlovid | GP_EBOV | Envelope glycoprotein | -7.04 | -7.03 | -6.62 | 33.54% | CHEMBL3125897 |
| Molnupiravir | GP_EBOV | Envelope glycoprotein | -7.17 | -6.29 | -6.20 | 19.27% | CHEMBL3125895 |
| Paxlovid | GP_LASSJ | Pre-glycoprotein polyprotein GP complex | -6.19 | -5.96 | N/A | N/A | N/A |
| Molnupiravir | GP_LASSJ | Pre-glycoprotein polyprotein GP complex | -6.42 | -6.85 | N/A | N/A | N/A |
| Paxlovid | HA_A-H10N7 | Hemagglutinin | -7.42 | N/A | N/A | N/A | N/A |
| Molnupiravir | HA_A-H10N7 | Hemagglutinin | -6.68 | N/A | N/A | N/A | N/A |
| Paxlovid | HA_A-H10N8 | Hemagglutinin | -6.38 | N/A | N/A | N/A | N/A |
| Molnupiravir | HA_A-H10N8 | Hemagglutinin | -5.51 | N/A | N/A | N/A | N/A |
| Paxlovid | HA_A-H13N6 | Hemagglutinin | -6.11 | N/A | N/A | N/A | N/A |
| Molnupiravir | HA_A-H13N6 | Hemagglutinin | -6.69 | N/A | N/A | N/A | N/A |
| Paxlovid | HA_A-H14N6 | Hemagglutinin | -6.93 | N/A | N/A | N/A | N/A |
| Molnupiravir | HA_A-H14N6 | Hemagglutinin | -7.36 | N/A | N/A | N/A | N/A |
| Paxlovid | HA_A-H15N9 | Hemagglutinin | -6.73 | N/A | N/A | N/A | N/A |
| Molnupiravir | HA_A-H15N9 | Hemagglutinin | -6.64 | N/A | N/A | N/A | N/A |
| Paxlovid | HA_A-H17N10 | Hemagglutinin | -6.19 | N/A | N/A | N/A | N/A |
| Molnupiravir | HA_A-H17N10 | Hemagglutinin | -5.90 | N/A | N/A | N/A | N/A |
| Paxlovid | HA_A-H18N11 | Hemagglutinin | -5.98 | N/A | N/A | N/A | N/A |
| Molnupiravir | HA_A-H18N11 | Hemagglutinin | -5.68 | N/A | N/A | N/A | N/A |
| Paxlovid | HA_A-H1N1 | Hemagglutinin | -6.41 | -6.40 | N/A | N/A | N/A |
| Molnupiravir | HA_A-H1N1 | Hemagglutinin | -6.67 | -6.23 | N/A | N/A | N/A |
| Paxlovid | HA_A-H2N2 | Hemagglutinin | -5.75 | -6.48 | N/A | N/A | N/A |
| Molnupiravir | HA_A-H2N2 | Hemagglutinin | -6.29 | -6.41 | N/A | N/A | N/A |
| Paxlovid | HA_A-H3N2 | Hemagglutinin | -6.99 | -6.86 | -6.67 | N/A | N/A |
| Molnupiravir | HA_A-H3N2 | Hemagglutinin | -5.81 | -5.95 | -6.05 | N/A | N/A |
| Paxlovid | HA_A-H3N8 | Hemagglutinin | -6.45 | -6.26 | -6.35 | N/A | N/A |
| Molnupiravir | HA_A-H3N8 | Hemagglutinin | -5.74 | -6.13 | -5.82 | N/A | N/A |
| Paxlovid | HA_A-H5N1 | Hemagglutinin | -6.22 | -7.31 | -6.88 | N/A | N/A |
| Molnupiravir | HA_A-H5N1 | Hemagglutinin | -6.72 | -6.96 | -6.22 | N/A | N/A |
| Paxlovid | HA_A-H5N3 | Hemagglutinin | -6.17 | -6.47 | N/A | N/A | N/A |
| Molnupiravir | HA_A-H5N3 | Hemagglutinin | -7.15 | -6.40 | N/A | N/A | N/A |
| Paxlovid | HA_A-H6N1 | Hemagglutinin | -6.38 | N/A | N/A | N/A | N/A |
| Molnupiravir | HA_A-H6N1 | Hemagglutinin | -5.51 | N/A | N/A | N/A | N/A |
| Paxlovid | HA_A-H6N6 | Hemagglutinin | -6.57 | N/A | N/A | N/A | N/A |
| Molnupiravir | HA_A-H6N6 | Hemagglutinin | -6.41 | N/A | N/A | N/A | N/A |
| Paxlovid | HA_A-H7N2 | Hemagglutinin | -6.57 | -5.66 | -6.01 | N/A | N/A |
| Molnupiravir | HA_A-H7N2 | Hemagglutinin | -6.49 | -5.92 | -6.26 | N/A | N/A |
| Paxlovid | HA_A-H7N7 | Hemagglutinin | -6.50 | -6.77 | N/A | N/A | N/A |
| Molnupiravir | HA_A-H7N7 | Hemagglutinin | -6.07 | -6.60 | N/A | N/A | N/A |
| Paxlovid | HA_A-H7N9 | Hemagglutinin | -7.02 | N/A | N/A | N/A | N/A |
| Molnupiravir | HA_A-H7N9 | Hemagglutinin | -6.23 | N/A | N/A | N/A | N/A |
| Paxlovid | HA_INFB | Hemagglutinin | -5.95 | -5.95 | N/A | N/A | N/A |
| Molnupiravir | HA_INFB | Hemagglutinin | -6.07 | -6.41 | N/A | N/A | N/A |
| Paxlovid | HA_INFD | Hemagglutinin-esterase-fusion glycoprotein | -6.75 | N/A | N/A | N/A | N/A |
| Molnupiravir | HA_INFD | Hemagglutinin-esterase-fusion glycoprotein | -6.07 | N/A | N/A | N/A | N/A |
| Paxlovid | HE_BCV | Hemagglutinin-esterase | -6.56 | -6.28 | N/A | N/A | N/A |
| Molnupiravir | HE_BCV | Hemagglutinin-esterase | -5.96 | -6.09 | N/A | N/A | N/A |
| Paxlovid | HE_HCoV-OC43 | Hemagglutinin-esterase | -5.93 | N/A | N/A | N/A | N/A |
| Molnupiravir | HE_HCoV-OC43 | Hemagglutinin-esterase | -5.29 | N/A | N/A | N/A | N/A |
| Paxlovid | HE_MHV | Hemagglutinin-esterase | -5.90 | N/A | N/A | N/A | N/A |
| Molnupiravir | HE_MHV | Hemagglutinin-esterase | -5.57 | N/A | N/A | N/A | N/A |
| Paxlovid | IN_HIV1 | Gag-Pol polyprotein | -5.45 | -5.77 | N/A | N/A | N/A |
| Molnupiravir | IN_HIV1 | Gag-Pol polyprotein | -5.36 | -5.32 | N/A | N/A | N/A |
| Paxlovid | MD_HKU4 | Replicase polyprotein 1ab | -8.90 | -8.83 | -7.56 | N/A | N/A |
| Molnupiravir | MD_HKU4 | Replicase polyprotein 1ab | -8.78 | -8.39 | -8.01 | N/A | N/A |
| Paxlovid | MD_MERs | Replicase polyprotein 1a | -8.82 | -7.06 | N/A | N/A | N/A |
| Molnupiravir | MD_MERs | Replicase polyprotein 1a | -8.67 | -8.19 | N/A | N/A | N/A |
| Paxlovid | MEM_9FLAV | Core protein | -6.04 | N/A | N/A | N/A | N/A |
| Molnupiravir | MEM_9FLAV | Core protein | -5.46 | N/A | N/A | N/A | N/A |
| Paxlovid | MTASE_SARS2 | Methyltransferase | -6.49 | N/A | N/A | N/A | N/A |
| Paxlovid | MTASE_SARS2 | Methyltransferase | -7.89 | N/A | N/A | N/A | N/A |
| Molnupiravir | MTASE_SARS2 | Methyltransferase | -5.93 | N/A | N/A | N/A | N/A |
| Molnupiravir | MTASE_SARS2 | Methyltransferase | -7.65 | N/A | N/A | N/A | N/A |
| Paxlovid | MX2_A-H5N1 | Matrix protein 2 | -3.78 | N/A | N/A | N/A | N/A |
| Molnupiravir | MX2_A-H5N1 | Matrix protein 2 | -8.80 | N/A | N/A | N/A | N/A |
| Paxlovid | MX_9MONO | Matrix protein VP40 | -7.87 | N/A | N/A | N/A | N/A |
| Molnupiravir | MX_9MONO | Matrix protein VP40 | -7.66 | N/A | N/A | N/A | N/A |
| Paxlovid | MX_LASSJ | RING finger protein Z | -5.26 | N/A | N/A | N/A | N/A |
| Molnupiravir | MX_LASSJ | RING finger protein Z | -5.70 | N/A | N/A | N/A | N/A |
| Paxlovid | NA_A-H11N6 | Neuraminidase | -8.41 | -8.20 | -7.83 | N/A | N/A |
| Molnupiravir | NA_A-H11N6 | Neuraminidase | -7.63 | -7.38 | -7.63 | N/A | N/A |
| Paxlovid | NA_A-H11N9 | Neuraminidase | -5.59 | -8.36 | -8.06 | N/A | N/A |
| Molnupiravir | NA_A-H11N9 | Neuraminidase | -6.00 | -7.51 | -7.55 | N/A | N/A |
| Paxlovid | NA_A-H12N5 | Neuraminidase | -8.03 | -8.04 | -7.69 | N/A | N/A |
| Molnupiravir | NA_A-H12N5 | Neuraminidase | -7.31 | -7.85 | -7.62 | N/A | N/A |
| Paxlovid | NA_A-H13N9 | Neuraminidase | -6.40 | N/A | N/A | N/A | N/A |
| Molnupiravir | NA_A-H13N9 | Neuraminidase | -6.51 | N/A | N/A | N/A | N/A |
| Paxlovid | NA_A-H17N10 | Neuraminidase | -7.40 | N/A | N/A | N/A | N/A |
| Molnupiravir | NA_A-H17N10 | Neuraminidase | -6.60 | N/A | N/A | N/A | N/A |
| Paxlovid | NA_A-H18N11 | Neuraminidase | -7.06 | N/A | N/A | N/A | N/A |
| Molnupiravir | NA_A-H18N11 | Neuraminidase | -5.99 | N/A | N/A | N/A | N/A |
| Paxlovid | NA_A-H1N1 | Neuraminidase | -8.12 | N/A | N/A | N/A | N/A |
| Molnupiravir | NA_A-H1N1 | Neuraminidase | -7.28 | N/A | N/A | N/A | N/A |
| Paxlovid | NA_A-H2N2 | Neuraminidase | -8.02 | -7.74 | -7.38 | N/A | N/A |
| Molnupiravir | NA_A-H2N2 | Neuraminidase | -7.71 | -7.29 | -7.29 | N/A | N/A |
| Paxlovid | NA_A-H3N2 | Ig heavy chain Mem5 | -6.97 | -7.40 | N/A | N/A | N/A |
| Molnupiravir | NA_A-H3N2 | Ig heavy chain Mem5 | -6.59 | -7.31 | N/A | N/A | N/A |
| Paxlovid | NA_A-H3N8 | Neuraminidase | -8.53 | -8.51 | -8.05 | 29.71% | CHEMBL674 |
| Molnupiravir | NA_A-H3N8 | Neuraminidase | -7.73 | -7.75 | -7.38 | 22.31% | CHEMBL222813 |
| Paxlovid | NA_A-H5N1 | Neuraminidase | -7.47 | N/A | N/A | N/A | N/A |
| Molnupiravir | NA_A-H5N1 | Neuraminidase | -7.42 | N/A | N/A | N/A | N/A |
| Paxlovid | NA_A-H7N9 | Neuraminidase | -7.93 | -7.45 | -8.29 | N/A | N/A |
| Molnupiravir | NA_A-H7N9 | Neuraminidase | -7.14 | -7.24 | -7.34 | N/A | N/A |
| Paxlovid | NA_INFB | Neuraminidase | -7.27 | -7.98 | N/A | 55.10% | CHEMBL370047 |
| Molnupiravir | NA_INFB | Neuraminidase | -7.79 | -7.76 | N/A | 28.81% | CHEMBL183817 |
| Paxlovid | NP_9ADNV | Nucleoprotein | -5.14 | -7.09 | N/A | N/A | N/A |
| Molnupiravir | NP_9ADNV | Nucleoprotein | -5.19 | -7.30 | N/A | N/A | N/A |
| Paxlovid | NP_A-H1N1 | Nucleoprotein | -6.47 | -6.10 | -6.35 | N/A | N/A |
| Molnupiravir | NP_A-H1N1 | Nucleoprotein | -5.40 | -5.82 | -7.17 | N/A | N/A |
| Paxlovid | NP_A-H5N1 | Nucleoprotein | -6.05 | N/A | N/A | N/A | N/A |
| Molnupiravir | NP_A-H5N1 | Nucleoprotein | -6.33 | N/A | N/A | N/A | N/A |
| Paxlovid | NP_EBOZM | Nucleoprotein | -6.23 | -6.12 | -7.01 | N/A | N/A |
| Molnupiravir | NP_EBOZM | Nucleoprotein | -5.57 | -5.85 | -6.31 | N/A | N/A |
| Paxlovid | NP_HCoV-NL63 | Nucleoprotein | -6.46 | N/A | N/A | N/A | N/A |
| Molnupiravir | NP_HCoV-NL63 | Nucleoprotein | -6.43 | N/A | N/A | N/A | N/A |
| Paxlovid | NP_HCoV-OC43 | Nucleoprotein | -8.25 | -6.90 | -6.77 | 15.25% | CHEMBL3233481 |
| Molnupiravir | NP_HCoV-OC43 | Nucleoprotein | -7.18 | -6.86 | -6.53 | 11.54% | CHEMBL3233481 |
| Paxlovid | NP_INFB | Nucleoprotein | -6.08 | N/A | N/A | N/A | N/A |
| Molnupiravir | NP_INFB | Nucleoprotein | -5.82 | N/A | N/A | N/A | N/A |
| Paxlovid | NP_INFD | NP | -5.07 | N/A | N/A | N/A | N/A |
| Molnupiravir | NP_INFD | NP | -5.11 | N/A | N/A | N/A | N/A |
| Paxlovid | NP_LASSJ | Nucleoprotein | -9.13 | -8.81 | -5.12 | N/A | N/A |
| Molnupiravir | NP_LASSJ | Nucleoprotein | -8.49 | -8.45 | -4.97 | N/A | N/A |
| Paxlovid | NP_SARS | Nucleoprotein | -7.42 | N/A | N/A | N/A | N/A |
| Molnupiravir | NP_SARS | Nucleoprotein | -6.64 | N/A | N/A | N/A | N/A |
| Paxlovid | NS1_9CALI | NTPase | -5.43 | -5.57 | -6.15 | N/A | N/A |
| Molnupiravir | NS1_9CALI | NTPase | -5.36 | -5.49 | -6.26 | N/A | N/A |
| Paxlovid | NS1_9FLAV | Non-structural protein 1 | -5.35 | N/A | N/A | N/A | N/A |
| Molnupiravir | NS1_9FLAV | Non-structural protein 1 | -5.50 | N/A | N/A | N/A | N/A |
| Paxlovid | NS1_DEN1W | Genome polyprotein | -5.47 | N/A | N/A | N/A | N/A |
| Molnupiravir | NS1_DEN1W | Genome polyprotein | -5.46 | N/A | N/A | N/A | N/A |
| Paxlovid | NS1_ZIKV | Core protein | 2.43 | -6.46 | -7.10 | N/A | N/A |
| Molnupiravir | NS1_ZIKV | Core protein | -6.60 | -6.35 | -6.61 | N/A | N/A |
| Paxlovid | NS2A_9FLAV | Core protein | -4.48 | N/A | N/A | N/A | N/A |
| Molnupiravir | NS2A_9FLAV | Core protein | -4.11 | N/A | N/A | N/A | N/A |
| Paxlovid | NS2B_DEN1W | Genome polyprotein | -7.80 | N/A | N/A | N/A | N/A |
| Molnupiravir | NS2B_DEN1W | Genome polyprotein | -6.90 | N/A | N/A | N/A | N/A |
| Paxlovid | NS2B_DEN2P | Genome polyprotein | -6.52 | -7.44 | N/A | N/A | N/A |
| Molnupiravir | NS2B_DEN2P | Genome polyprotein | -6.79 | -6.77 | N/A | N/A | N/A |
| Paxlovid | NS2B_ZIKV | Genome polyprotein | -7.12 | -7.38 | N/A | N/A | N/A |
| Molnupiravir | NS2B_ZIKV | Genome polyprotein | -6.70 | -6.77 | N/A | N/A | N/A |
| Paxlovid | NS2B_ZIKVF | Genome polyprotein | -6.97 | N/A | N/A | N/A | N/A |
| Molnupiravir | NS2B_ZIKVF | Genome polyprotein | -6.65 | N/A | N/A | N/A | N/A |
| Paxlovid | NS3_9FLAV | Core protein | -8.53 | N/A | N/A | N/A | N/A |
| Molnupiravir | NS3_9FLAV | Core protein | -7.57 | N/A | N/A | N/A | N/A |
| Paxlovid | NS3_DEN4T | Genome polyprotein | -7.64 | -8.07 | N/A | N/A | N/A |
| Molnupiravir | NS3_DEN4T | Genome polyprotein | -8.03 | -6.94 | N/A | N/A | N/A |
| Paxlovid | NS3_HCV1A | Genome polyprotein | -6.82 | -5.96 | -6.22 | 60.67% | CHEMBL296588 |
| Molnupiravir | NS3_HCV1A | Genome polyprotein | -8.08 | -5.97 | -7.11 | 41.77% | CHEMBL3696815 |
| Paxlovid | NS3_HCV1B | Genome polyprotein | -6.76 | -6.80 | -5.54 | 50.50% | CHEMBL3921185 |
| Molnupiravir | NS3_HCV1B | Genome polyprotein | -7.79 | -7.13 | -5.79 | 20.82% | CHEMBL3954962 |
| Paxlovid | NS3_HCV3A | Genome polyprotein | -6.89 | -6.30 | -6.40 | N/A | N/A |
| Molnupiravir | NS3_HCV3A | Genome polyprotein | -6.73 | -6.73 | -7.01 | N/A | N/A |
| Paxlovid | NS3_ZIKV | Genome polyprotein | -8.41 | N/A | N/A | N/A | N/A |
| Molnupiravir | NS3_ZIKV | Genome polyprotein | -7.72 | N/A | N/A | N/A | N/A |
| Paxlovid | NS5B_HCV1A | Genome polyprotein | -7.98 | -8.13 | -8.01 | 52.00% | CHEMBL13443 |
| Molnupiravir | NS5B_HCV1A | Genome polyprotein | -7.43 | -7.12 | -7.08 | 21.98% | CHEMBL3644925 |
| Paxlovid | NS5B_HCV1B | Genome polyprotein | -7.55 | -7.93 | -6.90 | 20.75% | CHEMBL3422106 |
| Molnupiravir | NS5B_HCV1B | Genome polyprotein | -6.91 | -7.88 | -7.48 | 22.18% | CHEMBL3970609 |
| Paxlovid | NS5B_HCV2A | Genome polyprotein | -9.62 | -6.16 | N/A | 34.72% | CHEMBL3127326 |
| Molnupiravir | NS5B_HCV2A | Genome polyprotein | -8.92 | -8.21 | N/A | 16.00% | CHEMBL3127326 |
| Paxlovid | NS5_9FLAV | Core protein | -8.58 | N/A | N/A | N/A | N/A |
| Molnupiravir | NS5_9FLAV | Core protein | -8.00 | N/A | N/A | N/A | N/A |
| Paxlovid | NS5_DEN3S | Genome polyprotein | -7.07 | -8.26 | N/A | N/A | N/A |
| Molnupiravir | NS5_DEN3S | Genome polyprotein | -7.11 | -7.87 | N/A | N/A | N/A |
| Paxlovid | NS5_ZIKV | Genome polyprotein | -8.03 | -5.88 | N/A | N/A | N/A |
| Molnupiravir | NS5_ZIKV | Genome polyprotein | -7.81 | -5.25 | N/A | N/A | N/A |
| Paxlovid | NS5_ZIKVF | Genome polyprotein | -8.68 | N/A | N/A | N/A | N/A |
| Molnupiravir | NS5_ZIKVF | Genome polyprotein | -7.24 | N/A | N/A | N/A | N/A |
| Paxlovid | NS6_9CALI | NTPase | -5.19 | -5.31 | -6.29 | N/A | N/A |
| Molnupiravir | NS6_9CALI | NTPase | -4.75 | -5.70 | -5.87 | N/A | N/A |
| Paxlovid | NSP15_SARS | Replicase polyprotein 1ab | -6.37 | N/A | N/A | 42.31% | CHEMBL2441741 |
| Molnupiravir | NSP15_SARS | Replicase polyprotein 1ab | -6.07 | N/A | N/A | 18.10% | CHEMBL2441745 |
| Paxlovid | NSP15_SARS2 | Replicase polyprotein 1ab | -6.49 | N/A | N/A | N/A | N/A |
| Molnupiravir | NSP15_SARS2 | Replicase polyprotein 1ab | -6.83 | N/A | N/A | N/A | N/A |
| Paxlovid | NSP1_INFB | Non-structural protein 1 | -6.71 | -6.37 | N/A | N/A | N/A |
| Molnupiravir | NSP1_INFB | Non-structural protein 1 | -5.57 | -5.26 | N/A | N/A | N/A |
| Paxlovid | NSP1_SARS | Replicase polyprotein 1ab | -6.15 | N/A | N/A | 42.31% | CHEMBL2441741 |
| Molnupiravir | NSP1_SARS | Replicase polyprotein 1ab | -5.87 | N/A | N/A | 18.10% | CHEMBL2441745 |
| Paxlovid | NSP3_HCoV-229E | Replicase polyprotein 1a | -7.71 | N/A | N/A | N/A | N/A |
| Molnupiravir | NSP3_HCoV-229E | Replicase polyprotein 1a | -9.71 | N/A | N/A | N/A | N/A |
| Paxlovid | NSP3_IBV | Replicase polyprotein 1a | -7.06 | N/A | N/A | N/A | N/A |
| Molnupiravir | NSP3_IBV | Replicase polyprotein 1a | -9.52 | N/A | N/A | N/A | N/A |
| Paxlovid | NSP3_MHV | Replicase polyprotein 1ab | -6.14 | N/A | N/A | N/A | N/A |
| Molnupiravir | NSP3_MHV | Replicase polyprotein 1ab | -6.14 | N/A | N/A | N/A | N/A |
| Paxlovid | NSP3_SARS2 | Replicase polyprotein 1ab | -7.45 | N/A | N/A | N/A | N/A |
| Molnupiravir | NSP3_SARS2 | Replicase polyprotein 1ab | -6.92 | N/A | N/A | N/A | N/A |
| Paxlovid | NSP9_HCoV-229E | Replicase polyprotein 1ab | -6.39 | -6.81 | N/A | N/A | N/A |
| Molnupiravir | NSP9_HCoV-229E | Replicase polyprotein 1ab | -6.64 | -6.23 | N/A | N/A | N/A |
| Paxlovid | PA_A-H17N10 | Polymerase acidic protein | -7.62 | N/A | N/A | N/A | N/A |
| Molnupiravir | PA_A-H17N10 | Polymerase acidic protein | -7.99 | N/A | N/A | N/A | N/A |
| Paxlovid | PA_A-H1N1 | Polymerase acidic protein | -7.61 | -7.57 | -7.81 | N/A | N/A |
| Molnupiravir | PA_A-H1N1 | Polymerase acidic protein | -7.73 | -7.95 | -8.26 | N/A | N/A |
| Paxlovid | PA_A-H5N1 | Polymerase acidic protein | -7.81 | -7.48 | -7.56 | N/A | N/A |
| Molnupiravir | PA_A-H5N1 | Polymerase acidic protein | -8.19 | -7.94 | -7.88 | N/A | N/A |
| Paxlovid | PA_INFA | Polymerase acidic protein | -8.22 | -7.35 | -7.70 | 24.03% | CHEMBL2040554 |
| Molnupiravir | PA_INFA | Polymerase acidic protein | -7.32 | -8.08 | -7.92 | 24.75% | CHEMBL3944613 |
| Paxlovid | PA_INFB | Polymerase acidic protein | -7.39 | N/A | N/A | N/A | N/A |
| Molnupiravir | PA_INFB | Polymerase acidic protein | -7.16 | N/A | N/A | N/A | N/A |
| Paxlovid | PB2_A-H3N2 | Polymerase basic protein 2 | -7.29 | -7.64 | N/A | N/A | N/A |
| Molnupiravir | PB2_A-H3N2 | Polymerase basic protein 2 | -6.75 | -7.37 | N/A | N/A | N/A |
| Paxlovid | PB2_A-H5N1 | Polymerase basic protein 2 | -7.64 | -6.94 | -7.42 | N/A | N/A |
| Molnupiravir | PB2_A-H5N1 | Polymerase basic protein 2 | -6.84 | -6.68 | -7.11 | N/A | N/A |
| Paxlovid | PB2_INFB | Polymerase basic protein 2 | -7.22 | N/A | N/A | N/A | N/A |
| Molnupiravir | PB2_INFB | Polymerase basic protein 2 | -7.04 | N/A | N/A | N/A | N/A |
| Paxlovid | PB3_A-H3N2 | Polymerase basic protein 2 | -7.79 | N/A | N/A | N/A | N/A |
| Molnupiravir | PB3_A-H3N2 | Polymerase basic protein 2 | -7.40 | N/A | N/A | N/A | N/A |
| Paxlovid | PB4_A-H3N2 | Polymerase basic protein 2 | -8.12 | N/A | N/A | N/A | N/A |
| Molnupiravir | PB4_A-H3N2 | Polymerase basic protein 2 | -7.07 | N/A | N/A | N/A | N/A |
| Paxlovid | PLP_SARS | Replicase polyprotein 1a | -7.34 | -7.42 | -8.27 | 42.86% | CHEMBL213054 |
| Molnupiravir | PLP_SARS | Replicase polyprotein 1a | -7.99 | -7.86 | -8.13 | 20.66% | CHEMBL213054 |
| Paxlovid | PLP_SARS2 | papain-like protease | -6.68 | N/A | N/A | N/A | N/A |
| Molnupiravir | PLP_SARS2 | papain-like protease | -7.28 | N/A | N/A | N/A | N/A |
| Paxlovid | PM_9VIRU | RNA-directed RNA polymerase L | -7.20 | -7.64 | N/A | N/A | N/A |
| Molnupiravir | PM_9VIRU | RNA-directed RNA polymerase L | -7.17 | -7.13 | N/A | N/A | N/A |
| Paxlovid | PR_FCoV | Replicase polyprotein 1ab | -7.04 | N/A | N/A | 52.83% | CHEMBL4214066 |
| Molnupiravir | PR_FCoV | Replicase polyprotein 1ab | -6.62 | N/A | N/A | 17.44% | CHEMBL4214066 |
| Paxlovid | PR_HCoV-229E | Replicase polyprotein 1a | -7.67 | -7.48 | N/A | N/A | N/A |
| Molnupiravir | PR_HCoV-229E | Replicase polyprotein 1a | -7.68 | -7.20 | N/A | N/A | N/A |
| Paxlovid | PR_HCoV-NL63 | Replicase polyprotein 1a | -4.55 | -7.50 | N/A | N/A | N/A |
| Molnupiravir | PR_HCoV-NL63 | Replicase polyprotein 1a | -5.00 | -7.44 | N/A | N/A | N/A |
| Paxlovid | PR_HIV1 | Gag-Pol polyprotein | -6.46 | -6.72 | -7.03 | 17.03% | CHEMBL492666 |
| Molnupiravir | PR_HIV1 | Gag-Pol polyprotein | -6.03 | -6.15 | -6.17 | 28.51% | CHEMBL3645127 |
| Paxlovid | PR_HIV2 | Gag-Pol polyprotein | -7.47 | -6.82 | N/A | N/A | N/A |
| Molnupiravir | PR_HIV2 | Gag-Pol polyprotein | -6.65 | -5.98 | N/A | N/A | N/A |
| Paxlovid | PR_HKU1 | Replicase polyprotein 1a | -6.35 | N/A | N/A | N/A | N/A |
| Molnupiravir | PR_HKU1 | Replicase polyprotein 1a | -6.67 | N/A | N/A | N/A | N/A |
| Paxlovid | PR_HKU4 | Replicase polyprotein 1ab | -6.75 | -7.19 | -7.32 | N/A | N/A |
| Molnupiravir | PR_HKU4 | Replicase polyprotein 1ab | -7.18 | -6.89 | -6.44 | N/A | N/A |
| Paxlovid | PR_IBV | Replicase polyprotein 1a | -6.96 | N/A | N/A | N/A | N/A |
| Molnupiravir | PR_IBV | Replicase polyprotein 1a | -7.31 | N/A | N/A | N/A | N/A |
| Paxlovid | PR_MERs | 3C-like proteinase | -7.55 | -8.02 | N/A | N/A | N/A |
| Molnupiravir | PR_MERs | 3C-like proteinase | -7.31 | -6.86 | N/A | N/A | N/A |
| Paxlovid | PR_PEDV | 3C-like proteinase | -7.85 | N/A | N/A | N/A | N/A |
| Molnupiravir | PR_PEDV | 3C-like proteinase | -6.92 | N/A | N/A | N/A | N/A |
| Paxlovid | PR_SARS | Replicase polyprotein 1ab | -6.87 | -7.34 | -7.32 | 42.31% | CHEMBL2441741 |
| Molnupiravir | PR_SARS | Replicase polyprotein 1ab | -6.90 | -7.30 | -7.27 | 18.10% | CHEMBL2441745 |
| Paxlovid | PR_SARS2 | 3C-like protease | -6.88 | N/A | N/A | N/A | N/A |
| Molnupiravir | PR_SARS2 | 3C-like protease | -7.31 | N/A | N/A | N/A | N/A |
| Paxlovid | PR_TGEV | Replicase polyprotein 1a | -6.94 | N/A | N/A | N/A | N/A |
| Molnupiravir | PR_TGEV | Replicase polyprotein 1a | -6.40 | N/A | N/A | N/A | N/A |
| Paxlovid | P_9CALI | Norovirus P domain protein | -7.87 | N/A | N/A | N/A | N/A |
| Molnupiravir | P_9CALI | Norovirus P domain protein | -7.56 | N/A | N/A | N/A | N/A |
| Paxlovid | P_NVN68 | Capsid protein VP1 | -5.30 | N/A | N/A | N/A | N/A |
| Molnupiravir | P_NVN68 | Capsid protein VP1 | -5.32 | N/A | N/A | N/A | N/A |
| Paxlovid | RDRP_SARS2 | RNA-dependent RNA polymerase | -6.54 | N/A | N/A | 10.37% | CHEMBL4065616 |
| Molnupiravir | RDRP_SARS2 | RNA-dependent RNA polymerase | -6.76 | N/A | N/A | 23.68% | CHEMBL4065616 |
| Paxlovid | RT_HIV1 | Gag-Pol polyprotein | -8.05 | -8.30 | -7.19 | 33.58% | CHEMBL4225865 |
| Molnupiravir | RT_HIV1 | Gag-Pol polyprotein | -7.85 | -8.20 | -7.88 | 23.95% | CHEMBL3683704 |
| Paxlovid | SPIKE_HCoV-229E | Spike glycoprotein | -4.66 | N/A | N/A | N/A | N/A |
| Molnupiravir | SPIKE_HCoV-229E | Spike glycoprotein | -4.73 | N/A | N/A | N/A | N/A |
| Paxlovid | SPIKE_HCoV-NL63 | Spike glycoprotein | -6.20 | N/A | N/A | N/A | N/A |
| Molnupiravir | SPIKE_HCoV-NL63 | Spike glycoprotein | -5.14 | N/A | N/A | N/A | N/A |
| Paxlovid | SPIKE_HCoV-OC43 | Spike glycoprotein | -6.36 | N/A | N/A | N/A | N/A |
| Molnupiravir | SPIKE_HCoV-OC43 | Spike glycoprotein | -6.44 | N/A | N/A | N/A | N/A |
| Paxlovid | SPIKE_HKU4 | Spike glycoprotein | -7.03 | N/A | N/A | N/A | N/A |
| Molnupiravir | SPIKE_HKU4 | Spike glycoprotein | -7.35 | N/A | N/A | N/A | N/A |
| Paxlovid | SPIKE_IBV | Spike glycoprotein | -6.39 | N/A | N/A | N/A | N/A |
| Molnupiravir | SPIKE_IBV | Spike glycoprotein | -5.41 | N/A | N/A | N/A | N/A |
| Paxlovid | SPIKE_MERs | Spike glycoprotein | -7.21 | -6.20 | -5.53 | N/A | N/A |
| Molnupiravir | SPIKE_MERs | Spike glycoprotein | -6.43 | -5.90 | -5.33 | N/A | N/A |
| Paxlovid | SPIKE_MHV | Spike glycoprotein | -7.29 | N/A | N/A | N/A | N/A |
| Molnupiravir | SPIKE_MHV | Spike glycoprotein | -7.00 | N/A | N/A | N/A | N/A |
| Paxlovid | SPIKE_PDCoV | Spike protein | -6.85 | N/A | N/A | N/A | N/A |
| Molnupiravir | SPIKE_PDCoV | Spike protein | -6.17 | N/A | N/A | N/A | N/A |
| Paxlovid | SPIKE_SARS | Spike glycoprotein | -6.27 | -6.61 | N/A | N/A | N/A |
| Molnupiravir | SPIKE_SARS | Spike glycoprotein | -5.92 | -6.70 | N/A | N/A | N/A |
| Paxlovid | SPIKE_SARS2 | Spike glycoprotein | -5.64 | -6.37 | -7.36 | N/A | N/A |
| Molnupiravir | SPIKE_SARS2 | Spike glycoprotein | -5.51 | -5.83 | -6.13 | N/A | N/A |
| Paxlovid | VP1_9CALI | Capsid protein | -7.36 | N/A | N/A | N/A | N/A |
| Molnupiravir | VP1_9CALI | Capsid protein | -7.74 | N/A | N/A | N/A | N/A |
| Paxlovid | VP1_NVN68 | Capsid protein VP1 | -5.76 | N/A | N/A | N/A | N/A |
| Molnupiravir | VP1_NVN68 | Capsid protein VP1 | -6.11 | N/A | N/A | N/A | N/A |
| Paxlovid | VP24_EBORE | Membrane-associated protein VP24 | -5.21 | N/A | N/A | N/A | N/A |
| Molnupiravir | VP24_EBORE | Membrane-associated protein VP24 | -4.87 | N/A | N/A | N/A | N/A |
| Paxlovid | VP24_EBOSU | Membrane-associated protein VP24 | -5.09 | N/A | N/A | N/A | N/A |
| Molnupiravir | VP24_EBOSU | Membrane-associated protein VP24 | -4.79 | N/A | N/A | N/A | N/A |
| Paxlovid | VP24_EBOZM | Membrane-associated protein VP24 | -5.73 | N/A | N/A | N/A | N/A |
| Molnupiravir | VP24_EBOZM | Membrane-associated protein VP24 | -5.32 | N/A | N/A | N/A | N/A |
| Paxlovid | VP30_9MONO | Minor nucleoprotein VP30 | -5.64 | N/A | N/A | N/A | N/A |
| Molnupiravir | VP30_9MONO | Minor nucleoprotein VP30 | -5.18 | N/A | N/A | N/A | N/A |
| Paxlovid | VP30_EBOZ5 | Transcriptional activator VP30 | -6.00 | N/A | N/A | N/A | N/A |
| Molnupiravir | VP30_EBOZ5 | Transcriptional activator VP30 | -6.22 | N/A | N/A | N/A | N/A |
| Paxlovid | VP30_EBOZM | Transcriptional activator VP30 | -6.81 | N/A | N/A | N/A | N/A |
| Molnupiravir | VP30_EBOZM | Transcriptional activator VP30 | -6.54 | N/A | N/A | N/A | N/A |
| Paxlovid | VP35_EBORR | Polymerase cofactor VP35 | -5.49 | N/A | N/A | N/A | N/A |
| Molnupiravir | VP35_EBORR | Polymerase cofactor VP35 | -5.52 | N/A | N/A | N/A | N/A |
| Paxlovid | VP35_EBOZM | Polymerase cofactor VP35 | -5.91 | -5.85 | -6.47 | N/A | N/A |
| Molnupiravir | VP35_EBOZM | Polymerase cofactor VP35 | -5.60 | -6.02 | -5.41 | N/A | N/A |
| Paxlovid | VP40_EBOZM | Matrix protein VP40 | -5.16 | -5.73 | N/A | N/A | N/A |
| Molnupiravir | VP40_EBOZM | Matrix protein VP40 | -4.82 | -4.99 | N/A | N/A | N/A |