| Ligand | Protein Symbol | Approved Name | Docking Scores |
Similarity Score |
Best Match | ||
|---|---|---|---|---|---|---|---|
| Model 1 | Model 2 | Model 3 | |||||
| Comp3 | 2A_HE71 | Genome polyprotein | -6.50 | N/A | N/A | N/A | N/A |
| Comp2 | 2A_HE71 | Genome polyprotein | -6.57 | N/A | N/A | N/A | N/A |
| Comp3 | 2A_HE71M | Genome polyprotein | -6.76 | N/A | N/A | N/A | N/A |
| Comp2 | 2A_HE71M | Genome polyprotein | -6.59 | N/A | N/A | N/A | N/A |
| Comp3 | 2C_HE71 | Genome polyprotein | -5.03 | -5.68 | N/A | N/A | N/A |
| Comp2 | 2C_HE71 | Genome polyprotein | -5.37 | -5.84 | N/A | N/A | N/A |
| Comp3 | 3A_9ENTO | Genome polyprotein | -5.38 | N/A | N/A | N/A | N/A |
| Comp2 | 3A_9ENTO | Genome polyprotein | -5.52 | N/A | N/A | N/A | N/A |
| Comp3 | 3A_HE71M | Genome polyprotein | -5.56 | N/A | N/A | N/A | N/A |
| Comp2 | 3A_HE71M | Genome polyprotein | -5.21 | N/A | N/A | N/A | N/A |
| Comp3 | 3A_HED68 | Genome polyprotein | -5.08 | N/A | N/A | N/A | N/A |
| Comp2 | 3A_HED68 | Genome polyprotein | -5.55 | N/A | N/A | N/A | N/A |
| Comp3 | 3C_HE71 | Genome polyprotein | -5.58 | -6.08 | N/A | N/A | N/A |
| Comp2 | 3C_HE71 | Genome polyprotein | -5.91 | -5.62 | N/A | N/A | N/A |
| Comp3 | 3C_HED68 | Genome polyprotein | -5.39 | N/A | N/A | N/A | N/A |
| Comp2 | 3C_HED68 | Genome polyprotein | -5.53 | N/A | N/A | N/A | N/A |
| Comp3 | 3D_HE71 | Genome polyprotein | -6.66 | N/A | N/A | N/A | N/A |
| Comp2 | 3D_HE71 | Genome polyprotein | -6.65 | N/A | N/A | N/A | N/A |
| Comp3 | 3D_HED68 | Genome polyprotein | -6.85 | N/A | N/A | N/A | N/A |
| Comp2 | 3D_HED68 | Genome polyprotein | -6.81 | N/A | N/A | N/A | N/A |
| Comp3 | ACE2_HUMAN | angiotensin converting enzyme 2 | -7.79 | N/A | N/A | 20.71% | CHEMBL251808 |
| Comp2 | ACE2_HUMAN | angiotensin converting enzyme 2 | -7.92 | N/A | N/A | 19.08% | CHEMBL271224 |
| Comp3 | CAPSD_9CALI | Capsid protein | -6.90 | -6.39 | -7.12 | N/A | N/A |
| Comp2 | CAPSD_9CALI | Capsid protein | -7.01 | -6.75 | -7.23 | N/A | N/A |
| Comp3 | CAPSD_9ENTO | Genome polyprotein | -9.16 | N/A | N/A | N/A | N/A |
| Comp2 | CAPSD_9ENTO | Genome polyprotein | -8.86 | N/A | N/A | N/A | N/A |
| Comp3 | CAPSD_DEN2P | Genome polyprotein | -6.96 | N/A | N/A | N/A | N/A |
| Comp2 | CAPSD_DEN2P | Genome polyprotein | -7.14 | N/A | N/A | N/A | N/A |
| Comp3 | CAPSD_HCV77 | Genome polyprotein | -4.54 | N/A | N/A | 29.60% | CHEMBL4107728 |
| Comp2 | CAPSD_HCV77 | Genome polyprotein | -4.21 | N/A | N/A | 26.42% | CHEMBL4107728 |
| Comp3 | CAPSD_HED68 | Capsid protein VP0 | -8.03 | -8.16 | N/A | N/A | N/A |
| Comp2 | CAPSD_HED68 | Capsid protein VP0 | -8.55 | -8.38 | N/A | N/A | N/A |
| Comp3 | CAPSD_ZIKV | Core protein | -6.16 | -6.71 | N/A | N/A | N/A |
| Comp2 | CAPSD_ZIKV | Core protein | -6.70 | -6.41 | N/A | N/A | N/A |
| Comp3 | DPM_HHV1K | DNA polymerase catalytic subunit | -6.54 | N/A | N/A | 14.74% | CHEMBL479371 |
| Comp2 | DPM_HHV1K | DNA polymerase catalytic subunit | -6.63 | N/A | N/A | 13.54% | CHEMBL479371 |
| Comp3 | E1_9HEPC | Envelope glycoprotein E1 | -5.27 | N/A | N/A | N/A | N/A |
| Comp2 | E1_9HEPC | Envelope glycoprotein E1 | -5.35 | N/A | N/A | N/A | N/A |
| Comp3 | E1_HCV77 | Genome polyprotein | -4.17 | N/A | N/A | 29.60% | CHEMBL4107728 |
| Comp2 | E1_HCV77 | Genome polyprotein | -4.39 | N/A | N/A | 26.42% | CHEMBL4107728 |
| Comp3 | E1_HCVJ1 | Genome polyprotein | -4.75 | N/A | N/A | N/A | N/A |
| Comp2 | E1_HCVJ1 | Genome polyprotein | -4.65 | N/A | N/A | N/A | N/A |
| Comp3 | E2_9HEPC | Core protein precursor | -7.71 | N/A | N/A | N/A | N/A |
| Comp2 | E2_9HEPC | Core protein precursor | -7.14 | N/A | N/A | N/A | N/A |
| Comp3 | E2_HCV77 | Genome polyprotein | -5.36 | N/A | N/A | 29.60% | CHEMBL4107728 |
| Comp2 | E2_HCV77 | Genome polyprotein | -5.53 | N/A | N/A | 26.42% | CHEMBL4107728 |
| Comp3 | ENV_9FLAV | Envelope protein E | -4.78 | N/A | N/A | N/A | N/A |
| Comp2 | ENV_9FLAV | Envelope protein E | -4.72 | N/A | N/A | N/A | N/A |
| Comp3 | ENV_DEN1B | Genome polyprotein | -5.09 | N/A | N/A | N/A | N/A |
| Comp2 | ENV_DEN1B | Genome polyprotein | -4.85 | N/A | N/A | N/A | N/A |
| Comp3 | ENV_DEN2P | Genome polyprotein | -6.55 | N/A | N/A | N/A | N/A |
| Comp2 | ENV_DEN2P | Genome polyprotein | -5.76 | N/A | N/A | N/A | N/A |
| Comp3 | ENV_DEN3P | Genome polyprotein | -5.51 | N/A | N/A | N/A | N/A |
| Comp2 | ENV_DEN3P | Genome polyprotein | -5.33 | N/A | N/A | N/A | N/A |
| Comp3 | ENV_HHV2H | Envelope glycoprotein H | -6.36 | N/A | N/A | N/A | N/A |
| Comp2 | ENV_HHV2H | Envelope glycoprotein H | -6.64 | N/A | N/A | N/A | N/A |
| Comp3 | ENV_ZIKV | Core protein | -5.63 | N/A | N/A | N/A | N/A |
| Comp2 | ENV_ZIKV | Core protein | -5.31 | N/A | N/A | N/A | N/A |
| Comp3 | ENV_ZIKVK | Genome polyprotein | -5.52 | N/A | N/A | N/A | N/A |
| Comp2 | ENV_ZIKVK | Genome polyprotein | -5.37 | N/A | N/A | N/A | N/A |
| Comp3 | G1_ADNV | Envelope polyprotein | -4.25 | -6.34 | -6.13 | N/A | N/A |
| Comp2 | G1_ADNV | Envelope polyprotein | -3.96 | -6.88 | -6.75 | N/A | N/A |
| Comp3 | G2_ADNV | Envelope polyprotein | -7.40 | -7.00 | -5.40 | N/A | N/A |
| Comp2 | G2_ADNV | Envelope polyprotein | -7.25 | -6.55 | -5.42 | N/A | N/A |
| Comp3 | GB_HHV11 | Envelope glycoprotein B | -6.57 | N/A | N/A | N/A | N/A |
| Comp2 | GB_HHV11 | Envelope glycoprotein B | -6.27 | N/A | N/A | N/A | N/A |
| Comp3 | GB_HHV1K | Envelope glycoprotein B | -6.68 | -6.82 | N/A | N/A | N/A |
| Comp2 | GB_HHV1K | Envelope glycoprotein B | -6.48 | -6.99 | N/A | N/A | N/A |
| Comp3 | GD_9ALPH | Glycoprotein D | -6.30 | -5.64 | N/A | N/A | N/A |
| Comp2 | GD_9ALPH | Glycoprotein D | -6.35 | -5.52 | N/A | N/A | N/A |
| Comp3 | GD_HHV1 | Glycoprotein D | -5.81 | N/A | N/A | N/A | N/A |
| Comp2 | GD_HHV1 | Glycoprotein D | -5.77 | N/A | N/A | N/A | N/A |
| Comp3 | GP160_HIV1 | Envelope glycoprotein gp160 | -5.99 | -6.91 | -6.28 | N/A | N/A |
| Comp2 | GP160_HIV1 | Envelope glycoprotein gp160 | -5.63 | -6.46 | -5.11 | N/A | N/A |
| Comp3 | GP160_HIV2 | Envelope glycoprotein gp160 | -6.57 | N/A | N/A | N/A | N/A |
| Comp2 | GP160_HIV2 | Envelope glycoprotein gp160 | -5.52 | N/A | N/A | N/A | N/A |
| Comp3 | GP_EBOV | Envelope glycoprotein | -6.86 | -7.31 | -7.11 | 20.78% | CHEMBL4640931 |
| Comp2 | GP_EBOV | Envelope glycoprotein | -7.02 | -7.33 | -7.18 | 19.70% | CHEMBL4640931 |
| Comp3 | GP_LASSJ | Pre-glycoprotein polyprotein GP complex | -6.19 | -6.13 | N/A | N/A | N/A |
| Comp2 | GP_LASSJ | Pre-glycoprotein polyprotein GP complex | -5.45 | -6.74 | N/A | N/A | N/A |
| Comp3 | HA_A-H10N7 | Hemagglutinin | -6.33 | N/A | N/A | N/A | N/A |
| Comp2 | HA_A-H10N7 | Hemagglutinin | -6.22 | N/A | N/A | N/A | N/A |
| Comp3 | HA_A-H10N8 | Hemagglutinin | -6.30 | N/A | N/A | N/A | N/A |
| Comp2 | HA_A-H10N8 | Hemagglutinin | -6.54 | N/A | N/A | N/A | N/A |
| Comp3 | HA_A-H13N6 | Hemagglutinin | -6.26 | N/A | N/A | N/A | N/A |
| Comp2 | HA_A-H13N6 | Hemagglutinin | -5.88 | N/A | N/A | N/A | N/A |
| Comp3 | HA_A-H14N6 | Hemagglutinin | -6.87 | N/A | N/A | N/A | N/A |
| Comp2 | HA_A-H14N6 | Hemagglutinin | -5.52 | N/A | N/A | N/A | N/A |
| Comp3 | HA_A-H15N9 | Hemagglutinin | -6.28 | N/A | N/A | N/A | N/A |
| Comp2 | HA_A-H15N9 | Hemagglutinin | -6.47 | N/A | N/A | N/A | N/A |
| Comp3 | HA_A-H17N10 | Hemagglutinin | -5.65 | N/A | N/A | N/A | N/A |
| Comp2 | HA_A-H17N10 | Hemagglutinin | -5.22 | N/A | N/A | N/A | N/A |
| Comp3 | HA_A-H18N11 | Hemagglutinin | -4.97 | N/A | N/A | N/A | N/A |
| Comp2 | HA_A-H18N11 | Hemagglutinin | -5.04 | N/A | N/A | N/A | N/A |
| Comp3 | HA_A-H1N1 | Hemagglutinin | -5.93 | -5.90 | N/A | N/A | N/A |
| Comp2 | HA_A-H1N1 | Hemagglutinin | -5.62 | -5.88 | N/A | N/A | N/A |
| Comp3 | HA_A-H2N2 | Hemagglutinin | -5.75 | -5.70 | N/A | N/A | N/A |
| Comp2 | HA_A-H2N2 | Hemagglutinin | -5.92 | -5.60 | N/A | N/A | N/A |
| Comp3 | HA_A-H3N2 | Hemagglutinin | -6.12 | -6.07 | -5.77 | N/A | N/A |
| Comp2 | HA_A-H3N2 | Hemagglutinin | -5.66 | -5.39 | -5.31 | N/A | N/A |
| Comp3 | HA_A-H3N8 | Hemagglutinin | -6.07 | -5.82 | -5.65 | N/A | N/A |
| Comp2 | HA_A-H3N8 | Hemagglutinin | -5.37 | -5.68 | -5.39 | N/A | N/A |
| Comp3 | HA_A-H5N1 | Hemagglutinin | -6.28 | -6.10 | -5.98 | N/A | N/A |
| Comp2 | HA_A-H5N1 | Hemagglutinin | -6.14 | -5.91 | -5.97 | N/A | N/A |
| Comp3 | HA_A-H5N3 | Hemagglutinin | -6.25 | -5.79 | N/A | N/A | N/A |
| Comp2 | HA_A-H5N3 | Hemagglutinin | -6.29 | -5.96 | N/A | N/A | N/A |
| Comp3 | HA_A-H6N1 | Hemagglutinin | -6.30 | N/A | N/A | N/A | N/A |
| Comp2 | HA_A-H6N1 | Hemagglutinin | -6.54 | N/A | N/A | N/A | N/A |
| Comp3 | HA_A-H6N6 | Hemagglutinin | -5.77 | N/A | N/A | N/A | N/A |
| Comp2 | HA_A-H6N6 | Hemagglutinin | -5.62 | N/A | N/A | N/A | N/A |
| Comp3 | HA_A-H7N2 | Hemagglutinin | -5.87 | -5.26 | -5.74 | N/A | N/A |
| Comp2 | HA_A-H7N2 | Hemagglutinin | -5.96 | -5.15 | -5.63 | N/A | N/A |
| Comp3 | HA_A-H7N7 | Hemagglutinin | -5.06 | -6.50 | N/A | N/A | N/A |
| Comp2 | HA_A-H7N7 | Hemagglutinin | -5.90 | -5.75 | N/A | N/A | N/A |
| Comp3 | HA_A-H7N9 | Hemagglutinin | -6.53 | N/A | N/A | N/A | N/A |
| Comp2 | HA_A-H7N9 | Hemagglutinin | -6.45 | N/A | N/A | N/A | N/A |
| Comp3 | HA_INFB | Hemagglutinin | -6.34 | -5.41 | N/A | N/A | N/A |
| Comp2 | HA_INFB | Hemagglutinin | -5.94 | -5.80 | N/A | N/A | N/A |
| Comp3 | HA_INFD | Hemagglutinin-esterase-fusion glycoprotein | -5.68 | N/A | N/A | N/A | N/A |
| Comp2 | HA_INFD | Hemagglutinin-esterase-fusion glycoprotein | -5.72 | N/A | N/A | N/A | N/A |
| Comp3 | HE_BCV | Hemagglutinin-esterase | -6.48 | -6.32 | N/A | N/A | N/A |
| Comp2 | HE_BCV | Hemagglutinin-esterase | -7.03 | -5.77 | N/A | N/A | N/A |
| Comp3 | HE_HCoV-OC43 | Hemagglutinin-esterase | -5.15 | N/A | N/A | N/A | N/A |
| Comp2 | HE_HCoV-OC43 | Hemagglutinin-esterase | -5.57 | N/A | N/A | N/A | N/A |
| Comp3 | HE_MHV | Hemagglutinin-esterase | -6.01 | N/A | N/A | N/A | N/A |
| Comp2 | HE_MHV | Hemagglutinin-esterase | -6.22 | N/A | N/A | N/A | N/A |
| Comp3 | IN_HIV1 | Gag-Pol polyprotein | -5.47 | -5.28 | N/A | N/A | N/A |
| Comp2 | IN_HIV1 | Gag-Pol polyprotein | -5.52 | -5.51 | N/A | N/A | N/A |
| Comp3 | MD_HKU4 | Replicase polyprotein 1ab | -7.21 | -7.65 | -7.61 | N/A | N/A |
| Comp2 | MD_HKU4 | Replicase polyprotein 1ab | -7.46 | -7.72 | -7.74 | N/A | N/A |
| Comp3 | MD_MERs | Replicase polyprotein 1a | -8.37 | -7.83 | N/A | N/A | N/A |
| Comp2 | MD_MERs | Replicase polyprotein 1a | -8.46 | -7.53 | N/A | N/A | N/A |
| Comp3 | MEM_9FLAV | Core protein | -5.43 | N/A | N/A | N/A | N/A |
| Comp2 | MEM_9FLAV | Core protein | -5.42 | N/A | N/A | N/A | N/A |
| Comp3 | MTASE_SARS2 | Methyltransferase | -6.19 | N/A | N/A | N/A | N/A |
| Comp3 | MTASE_SARS2 | Methyltransferase | -6.51 | N/A | N/A | N/A | N/A |
| Comp2 | MTASE_SARS2 | Methyltransferase | -5.40 | N/A | N/A | N/A | N/A |
| Comp2 | MTASE_SARS2 | Methyltransferase | -6.44 | N/A | N/A | N/A | N/A |
| Comp3 | MX2_A-H5N1 | Matrix protein 2 | -7.71 | N/A | N/A | N/A | N/A |
| Comp2 | MX2_A-H5N1 | Matrix protein 2 | -8.05 | N/A | N/A | N/A | N/A |
| Comp3 | MX_9MONO | Matrix protein VP40 | -6.95 | N/A | N/A | N/A | N/A |
| Comp2 | MX_9MONO | Matrix protein VP40 | -6.80 | N/A | N/A | N/A | N/A |
| Comp3 | MX_LASSJ | RING finger protein Z | -5.76 | N/A | N/A | N/A | N/A |
| Comp2 | MX_LASSJ | RING finger protein Z | -5.70 | N/A | N/A | N/A | N/A |
| Comp3 | NA_A-H11N6 | Neuraminidase | -6.76 | -6.38 | -5.99 | N/A | N/A |
| Comp2 | NA_A-H11N6 | Neuraminidase | -6.56 | -6.47 | -6.31 | N/A | N/A |
| Comp3 | NA_A-H11N9 | Neuraminidase | -6.89 | -6.46 | -6.60 | N/A | N/A |
| Comp2 | NA_A-H11N9 | Neuraminidase | -6.16 | -6.53 | -6.43 | N/A | N/A |
| Comp3 | NA_A-H12N5 | Neuraminidase | -5.94 | -6.41 | -6.39 | N/A | N/A |
| Comp2 | NA_A-H12N5 | Neuraminidase | -6.27 | -6.69 | -6.70 | N/A | N/A |
| Comp3 | NA_A-H13N9 | Neuraminidase | -5.62 | N/A | N/A | N/A | N/A |
| Comp2 | NA_A-H13N9 | Neuraminidase | -6.50 | N/A | N/A | N/A | N/A |
| Comp3 | NA_A-H17N10 | Neuraminidase | -6.22 | N/A | N/A | N/A | N/A |
| Comp2 | NA_A-H17N10 | Neuraminidase | -6.18 | N/A | N/A | N/A | N/A |
| Comp3 | NA_A-H18N11 | Neuraminidase | -5.85 | N/A | N/A | N/A | N/A |
| Comp2 | NA_A-H18N11 | Neuraminidase | -5.80 | N/A | N/A | N/A | N/A |
| Comp3 | NA_A-H1N1 | Neuraminidase | -7.01 | N/A | N/A | N/A | N/A |
| Comp2 | NA_A-H1N1 | Neuraminidase | -6.36 | N/A | N/A | N/A | N/A |
| Comp3 | NA_A-H2N2 | Neuraminidase | -6.54 | -6.30 | -6.45 | N/A | N/A |
| Comp2 | NA_A-H2N2 | Neuraminidase | -6.54 | -6.40 | -6.53 | N/A | N/A |
| Comp3 | NA_A-H3N2 | Ig heavy chain Mem5 | -6.56 | -5.91 | N/A | N/A | N/A |
| Comp2 | NA_A-H3N2 | Ig heavy chain Mem5 | -5.36 | -6.34 | N/A | N/A | N/A |
| Comp3 | NA_A-H3N8 | Neuraminidase | -5.87 | -7.09 | -6.30 | 16.33% | CHEMBL4285767 |
| Comp2 | NA_A-H3N8 | Neuraminidase | -6.06 | -6.74 | -6.45 | 14.29% | CHEMBL4285767 |
| Comp3 | NA_A-H5N1 | Neuraminidase | -6.75 | N/A | N/A | N/A | N/A |
| Comp2 | NA_A-H5N1 | Neuraminidase | -6.24 | N/A | N/A | N/A | N/A |
| Comp3 | NA_A-H7N9 | Neuraminidase | -6.45 | -6.33 | -6.42 | N/A | N/A |
| Comp2 | NA_A-H7N9 | Neuraminidase | -6.68 | -6.48 | -6.43 | N/A | N/A |
| Comp3 | NA_INFB | Neuraminidase | -6.11 | -6.33 | N/A | 16.20% | CHEMBL113191 |
| Comp2 | NA_INFB | Neuraminidase | -6.41 | -6.39 | N/A | 15.38% | CHEMBL113191 |
| Comp3 | NP_9ADNV | Nucleoprotein | -5.67 | -7.43 | N/A | N/A | N/A |
| Comp2 | NP_9ADNV | Nucleoprotein | -4.99 | -7.38 | N/A | N/A | N/A |
| Comp3 | NP_A-H1N1 | Nucleoprotein | -6.22 | -7.73 | -6.66 | N/A | N/A |
| Comp2 | NP_A-H1N1 | Nucleoprotein | -5.90 | -7.74 | -6.21 | N/A | N/A |
| Comp3 | NP_A-H5N1 | Nucleoprotein | -6.68 | N/A | N/A | N/A | N/A |
| Comp2 | NP_A-H5N1 | Nucleoprotein | -6.21 | N/A | N/A | N/A | N/A |
| Comp3 | NP_EBOZM | Nucleoprotein | -6.34 | -6.22 | -5.80 | N/A | N/A |
| Comp2 | NP_EBOZM | Nucleoprotein | -6.49 | -5.42 | -5.80 | N/A | N/A |
| Comp3 | NP_HCoV-NL63 | Nucleoprotein | -5.60 | N/A | N/A | N/A | N/A |
| Comp2 | NP_HCoV-NL63 | Nucleoprotein | -5.55 | N/A | N/A | N/A | N/A |
| Comp3 | NP_HCoV-OC43 | Nucleoprotein | -8.23 | -6.82 | -6.28 | 10.07% | CHEMBL3233481 |
| Comp2 | NP_HCoV-OC43 | Nucleoprotein | -8.51 | -6.69 | -6.44 | 8.70% | CHEMBL3233481 |
| Comp3 | NP_INFB | Nucleoprotein | -4.93 | N/A | N/A | N/A | N/A |
| Comp2 | NP_INFB | Nucleoprotein | -4.87 | N/A | N/A | N/A | N/A |
| Comp3 | NP_INFD | NP | -5.01 | N/A | N/A | N/A | N/A |
| Comp2 | NP_INFD | NP | -5.26 | N/A | N/A | N/A | N/A |
| Comp3 | NP_LASSJ | Nucleoprotein | -8.55 | -8.38 | -4.76 | N/A | N/A |
| Comp2 | NP_LASSJ | Nucleoprotein | -8.16 | -8.37 | -4.59 | N/A | N/A |
| Comp3 | NP_SARS | Nucleoprotein | -6.52 | N/A | N/A | N/A | N/A |
| Comp2 | NP_SARS | Nucleoprotein | -6.53 | N/A | N/A | N/A | N/A |
| Comp3 | NS1_9CALI | NTPase | -5.33 | -5.10 | -5.57 | N/A | N/A |
| Comp2 | NS1_9CALI | NTPase | -5.83 | -5.29 | -5.67 | N/A | N/A |
| Comp3 | NS1_9FLAV | Non-structural protein 1 | -5.68 | N/A | N/A | N/A | N/A |
| Comp2 | NS1_9FLAV | Non-structural protein 1 | -5.44 | N/A | N/A | N/A | N/A |
| Comp3 | NS1_DEN1W | Genome polyprotein | -5.03 | N/A | N/A | N/A | N/A |
| Comp2 | NS1_DEN1W | Genome polyprotein | -4.91 | N/A | N/A | N/A | N/A |
| Comp3 | NS1_ZIKV | Core protein | -6.56 | -7.23 | -5.92 | N/A | N/A |
| Comp2 | NS1_ZIKV | Core protein | -7.11 | -6.11 | -5.95 | N/A | N/A |
| Comp3 | NS2A_9FLAV | Core protein | -4.40 | N/A | N/A | N/A | N/A |
| Comp2 | NS2A_9FLAV | Core protein | -4.22 | N/A | N/A | N/A | N/A |
| Comp3 | NS2B_DEN1W | Genome polyprotein | -6.47 | N/A | N/A | N/A | N/A |
| Comp2 | NS2B_DEN1W | Genome polyprotein | -7.00 | N/A | N/A | N/A | N/A |
| Comp3 | NS2B_DEN2P | Genome polyprotein | -7.31 | -7.01 | N/A | N/A | N/A |
| Comp2 | NS2B_DEN2P | Genome polyprotein | -7.28 | -6.81 | N/A | N/A | N/A |
| Comp3 | NS2B_ZIKV | Genome polyprotein | -6.39 | -6.68 | N/A | N/A | N/A |
| Comp2 | NS2B_ZIKV | Genome polyprotein | -6.59 | -6.22 | N/A | N/A | N/A |
| Comp3 | NS2B_ZIKVF | Genome polyprotein | -6.77 | N/A | N/A | N/A | N/A |
| Comp2 | NS2B_ZIKVF | Genome polyprotein | -6.94 | N/A | N/A | N/A | N/A |
| Comp3 | NS3_9FLAV | Core protein | -6.81 | N/A | N/A | N/A | N/A |
| Comp2 | NS3_9FLAV | Core protein | -7.07 | N/A | N/A | N/A | N/A |
| Comp3 | NS3_DEN4T | Genome polyprotein | -7.15 | -7.07 | N/A | N/A | N/A |
| Comp2 | NS3_DEN4T | Genome polyprotein | -7.36 | -6.39 | N/A | N/A | N/A |
| Comp3 | NS3_HCV1A | Genome polyprotein | -6.06 | -6.04 | -7.72 | 29.60% | CHEMBL4107728 |
| Comp2 | NS3_HCV1A | Genome polyprotein | -5.57 | -5.51 | -6.98 | 26.42% | CHEMBL4107728 |
| Comp3 | NS3_HCV1B | Genome polyprotein | -6.96 | -7.40 | -5.66 | 14.81% | CHEMBL3927196 |
| Comp2 | NS3_HCV1B | Genome polyprotein | -6.80 | -6.68 | -5.40 | 13.54% | CHEMBL3954962 |
| Comp3 | NS3_HCV3A | Genome polyprotein | -7.46 | -6.93 | -6.26 | N/A | N/A |
| Comp2 | NS3_HCV3A | Genome polyprotein | -7.26 | -7.23 | -6.33 | N/A | N/A |
| Comp3 | NS3_ZIKV | Genome polyprotein | -6.66 | N/A | N/A | N/A | N/A |
| Comp2 | NS3_ZIKV | Genome polyprotein | -6.76 | N/A | N/A | N/A | N/A |
| Comp3 | NS5B_HCV1A | Genome polyprotein | -6.84 | -7.45 | -7.84 | 25.00% | CHEMBL68034 |
| Comp2 | NS5B_HCV1A | Genome polyprotein | -6.63 | -7.69 | -7.59 | 22.88% | CHEMBL367415 |
| Comp3 | NS5B_HCV1B | Genome polyprotein | -7.23 | -7.32 | -7.44 | 20.35% | CHEMBL3645179 |
| Comp2 | NS5B_HCV1B | Genome polyprotein | -7.46 | -7.32 | -7.37 | 16.75% | CHEMBL3645179 |
| Comp3 | NS5B_HCV2A | Genome polyprotein | -7.96 | -7.89 | N/A | 17.22% | CHEMBL3127326 |
| Comp2 | NS5B_HCV2A | Genome polyprotein | -8.14 | -8.58 | N/A | 17.31% | CHEMBL3127326 |
| Comp3 | NS5_9FLAV | Core protein | -6.75 | N/A | N/A | N/A | N/A |
| Comp2 | NS5_9FLAV | Core protein | -7.12 | N/A | N/A | N/A | N/A |
| Comp3 | NS5_DEN3S | Genome polyprotein | -5.97 | -7.06 | N/A | N/A | N/A |
| Comp2 | NS5_DEN3S | Genome polyprotein | -6.09 | -6.71 | N/A | N/A | N/A |
| Comp3 | NS5_ZIKV | Genome polyprotein | -6.82 | -5.04 | N/A | N/A | N/A |
| Comp2 | NS5_ZIKV | Genome polyprotein | -7.11 | -5.15 | N/A | N/A | N/A |
| Comp3 | NS5_ZIKVF | Genome polyprotein | -6.93 | N/A | N/A | N/A | N/A |
| Comp2 | NS5_ZIKVF | Genome polyprotein | -7.06 | N/A | N/A | N/A | N/A |
| Comp3 | NS6_9CALI | NTPase | -5.18 | -5.39 | -5.39 | N/A | N/A |
| Comp2 | NS6_9CALI | NTPase | -5.41 | -5.62 | -5.36 | N/A | N/A |
| Comp3 | NSP15_SARS | Replicase polyprotein 1ab | -6.16 | N/A | N/A | 18.13% | CHEMBL2441741 |
| Comp2 | NSP15_SARS | Replicase polyprotein 1ab | -6.14 | N/A | N/A | 20.00% | CHEMBL2441741 |
| Comp3 | NSP15_SARS2 | Replicase polyprotein 1ab | -7.00 | N/A | N/A | N/A | N/A |
| Comp2 | NSP15_SARS2 | Replicase polyprotein 1ab | -6.82 | N/A | N/A | N/A | N/A |
| Comp3 | NSP1_INFB | Non-structural protein 1 | -6.25 | -6.15 | N/A | N/A | N/A |
| Comp2 | NSP1_INFB | Non-structural protein 1 | -5.79 | -5.46 | N/A | N/A | N/A |
| Comp3 | NSP1_SARS | Replicase polyprotein 1ab | -6.08 | N/A | N/A | 18.13% | CHEMBL2441741 |
| Comp2 | NSP1_SARS | Replicase polyprotein 1ab | -5.80 | N/A | N/A | 20.00% | CHEMBL2441741 |
| Comp3 | NSP3_HCoV-229E | Replicase polyprotein 1a | -8.03 | N/A | N/A | N/A | N/A |
| Comp2 | NSP3_HCoV-229E | Replicase polyprotein 1a | -8.20 | N/A | N/A | N/A | N/A |
| Comp3 | NSP3_IBV | Replicase polyprotein 1a | -7.40 | N/A | N/A | N/A | N/A |
| Comp2 | NSP3_IBV | Replicase polyprotein 1a | -7.37 | N/A | N/A | N/A | N/A |
| Comp3 | NSP3_MHV | Replicase polyprotein 1ab | -6.91 | N/A | N/A | N/A | N/A |
| Comp2 | NSP3_MHV | Replicase polyprotein 1ab | -6.45 | N/A | N/A | N/A | N/A |
| Comp3 | NSP3_SARS2 | Replicase polyprotein 1ab | -7.13 | N/A | N/A | N/A | N/A |
| Comp2 | NSP3_SARS2 | Replicase polyprotein 1ab | -7.54 | N/A | N/A | N/A | N/A |
| Comp3 | NSP9_HCoV-229E | Replicase polyprotein 1ab | -6.76 | -6.36 | N/A | N/A | N/A |
| Comp2 | NSP9_HCoV-229E | Replicase polyprotein 1ab | -6.76 | -5.88 | N/A | N/A | N/A |
| Comp3 | PA_A-H17N10 | Polymerase acidic protein | -6.55 | N/A | N/A | N/A | N/A |
| Comp2 | PA_A-H17N10 | Polymerase acidic protein | -6.39 | N/A | N/A | N/A | N/A |
| Comp3 | PA_A-H1N1 | Polymerase acidic protein | -6.56 | -6.69 | -6.43 | N/A | N/A |
| Comp2 | PA_A-H1N1 | Polymerase acidic protein | -6.19 | -6.68 | -6.36 | N/A | N/A |
| Comp3 | PA_A-H5N1 | Polymerase acidic protein | -7.04 | -6.17 | -6.87 | N/A | N/A |
| Comp2 | PA_A-H5N1 | Polymerase acidic protein | -7.00 | -6.35 | -6.36 | N/A | N/A |
| Comp3 | PA_INFA | Polymerase acidic protein | -8.12 | -6.39 | -6.51 | 25.00% | CHEMBL1829211 |
| Comp2 | PA_INFA | Polymerase acidic protein | -8.03 | -5.99 | -6.17 | 24.49% | CHEMBL1829211 |
| Comp3 | PA_INFB | Polymerase acidic protein | -6.90 | N/A | N/A | N/A | N/A |
| Comp2 | PA_INFB | Polymerase acidic protein | -6.67 | N/A | N/A | N/A | N/A |
| Comp3 | PB2_A-H3N2 | Polymerase basic protein 2 | -8.05 | -7.78 | N/A | N/A | N/A |
| Comp2 | PB2_A-H3N2 | Polymerase basic protein 2 | -7.33 | -7.95 | N/A | N/A | N/A |
| Comp3 | PB2_A-H5N1 | Polymerase basic protein 2 | -6.69 | -7.07 | -7.40 | N/A | N/A |
| Comp2 | PB2_A-H5N1 | Polymerase basic protein 2 | -7.03 | -7.71 | -7.36 | N/A | N/A |
| Comp3 | PB2_INFB | Polymerase basic protein 2 | -7.68 | N/A | N/A | N/A | N/A |
| Comp2 | PB2_INFB | Polymerase basic protein 2 | -8.34 | N/A | N/A | N/A | N/A |
| Comp3 | PB3_A-H3N2 | Polymerase basic protein 2 | -7.71 | N/A | N/A | N/A | N/A |
| Comp2 | PB3_A-H3N2 | Polymerase basic protein 2 | -8.02 | N/A | N/A | N/A | N/A |
| Comp3 | PB4_A-H3N2 | Polymerase basic protein 2 | -7.57 | N/A | N/A | N/A | N/A |
| Comp2 | PB4_A-H3N2 | Polymerase basic protein 2 | -8.20 | N/A | N/A | N/A | N/A |
| Comp3 | PLP_SARS | Replicase polyprotein 1a | -7.13 | -7.77 | -7.21 | 19.23% | CHEMBL213543 |
| Comp2 | PLP_SARS | Replicase polyprotein 1a | -7.16 | -7.11 | -8.01 | 20.95% | CHEMBL213054 |
| Comp3 | PLP_SARS2 | papain-like protease | -5.99 | N/A | N/A | N/A | N/A |
| Comp2 | PLP_SARS2 | papain-like protease | -5.96 | N/A | N/A | N/A | N/A |
| Comp3 | PM_9VIRU | RNA-directed RNA polymerase L | -7.53 | -7.35 | N/A | N/A | N/A |
| Comp2 | PM_9VIRU | RNA-directed RNA polymerase L | -6.54 | -7.14 | N/A | N/A | N/A |
| Comp3 | PR_FCoV | Replicase polyprotein 1ab | -6.58 | N/A | N/A | 15.87% | CHEMBL4214471 |
| Comp2 | PR_FCoV | Replicase polyprotein 1ab | -6.18 | N/A | N/A | 17.18% | CHEMBL4214471 |
| Comp3 | PR_HCoV-229E | Replicase polyprotein 1a | -6.45 | -6.05 | N/A | N/A | N/A |
| Comp2 | PR_HCoV-229E | Replicase polyprotein 1a | -6.12 | -6.11 | N/A | N/A | N/A |
| Comp3 | PR_HCoV-NL63 | Replicase polyprotein 1a | -4.59 | -6.38 | N/A | N/A | N/A |
| Comp2 | PR_HCoV-NL63 | Replicase polyprotein 1a | -5.75 | -6.50 | N/A | N/A | N/A |
| Comp3 | PR_HIV1 | Gag-Pol polyprotein | -6.23 | -6.41 | -6.76 | 13.15% | CHEMBL3645129 |
| Comp2 | PR_HIV1 | Gag-Pol polyprotein | -6.27 | -6.56 | -6.10 | 14.12% | CHEMBL492666 |
| Comp3 | PR_HIV2 | Gag-Pol polyprotein | -6.40 | -5.98 | N/A | N/A | N/A |
| Comp2 | PR_HIV2 | Gag-Pol polyprotein | -6.74 | -6.15 | N/A | N/A | N/A |
| Comp3 | PR_HKU1 | Replicase polyprotein 1a | -6.18 | N/A | N/A | N/A | N/A |
| Comp2 | PR_HKU1 | Replicase polyprotein 1a | -5.49 | N/A | N/A | N/A | N/A |
| Comp3 | PR_HKU4 | Replicase polyprotein 1ab | -6.13 | -6.67 | -6.66 | N/A | N/A |
| Comp2 | PR_HKU4 | Replicase polyprotein 1ab | -6.14 | -6.04 | -6.44 | N/A | N/A |
| Comp3 | PR_IBV | Replicase polyprotein 1a | -6.33 | N/A | N/A | N/A | N/A |
| Comp2 | PR_IBV | Replicase polyprotein 1a | -6.11 | N/A | N/A | N/A | N/A |
| Comp3 | PR_MERs | 3C-like proteinase | -6.71 | -6.51 | N/A | N/A | N/A |
| Comp2 | PR_MERs | 3C-like proteinase | -6.36 | -6.51 | N/A | N/A | N/A |
| Comp3 | PR_PEDV | 3C-like proteinase | -6.34 | N/A | N/A | N/A | N/A |
| Comp2 | PR_PEDV | 3C-like proteinase | -6.24 | N/A | N/A | N/A | N/A |
| Comp3 | PR_SARS | Replicase polyprotein 1ab | -6.39 | -5.90 | -6.28 | 18.13% | CHEMBL2441741 |
| Comp2 | PR_SARS | Replicase polyprotein 1ab | -5.85 | -6.26 | -5.91 | 20.00% | CHEMBL2441741 |
| Comp3 | PR_SARS2 | 3C-like protease | -6.47 | N/A | N/A | N/A | N/A |
| Comp2 | PR_SARS2 | 3C-like protease | -5.92 | N/A | N/A | N/A | N/A |
| Comp3 | PR_TGEV | Replicase polyprotein 1a | -6.68 | N/A | N/A | N/A | N/A |
| Comp2 | PR_TGEV | Replicase polyprotein 1a | -6.16 | N/A | N/A | N/A | N/A |
| Comp3 | P_9CALI | Norovirus P domain protein | -7.83 | N/A | N/A | N/A | N/A |
| Comp2 | P_9CALI | Norovirus P domain protein | -7.19 | N/A | N/A | N/A | N/A |
| Comp3 | P_NVN68 | Capsid protein VP1 | -5.38 | N/A | N/A | N/A | N/A |
| Comp2 | P_NVN68 | Capsid protein VP1 | -5.12 | N/A | N/A | N/A | N/A |
| Comp3 | RDRP_SARS2 | RNA-dependent RNA polymerase | -5.65 | N/A | N/A | 10.16% | CHEMBL4065616 |
| Comp2 | RDRP_SARS2 | RNA-dependent RNA polymerase | -5.43 | N/A | N/A | 10.38% | CHEMBL4065616 |
| Comp3 | RT_HIV1 | Gag-Pol polyprotein | -8.76 | -8.96 | -8.91 | 28.57% | CHEMBL4224822 |
| Comp2 | RT_HIV1 | Gag-Pol polyprotein | -9.12 | -9.35 | -9.18 | 30.84% | CHEMBL3775172 |
| Comp3 | SPIKE_HCoV-229E | Spike glycoprotein | -4.75 | N/A | N/A | N/A | N/A |
| Comp2 | SPIKE_HCoV-229E | Spike glycoprotein | -4.64 | N/A | N/A | N/A | N/A |
| Comp3 | SPIKE_HCoV-NL63 | Spike glycoprotein | -5.42 | N/A | N/A | N/A | N/A |
| Comp2 | SPIKE_HCoV-NL63 | Spike glycoprotein | -5.46 | N/A | N/A | N/A | N/A |
| Comp3 | SPIKE_HCoV-OC43 | Spike glycoprotein | -5.53 | N/A | N/A | N/A | N/A |
| Comp2 | SPIKE_HCoV-OC43 | Spike glycoprotein | -5.47 | N/A | N/A | N/A | N/A |
| Comp3 | SPIKE_HKU4 | Spike glycoprotein | -6.33 | N/A | N/A | N/A | N/A |
| Comp2 | SPIKE_HKU4 | Spike glycoprotein | -5.28 | N/A | N/A | N/A | N/A |
| Comp3 | SPIKE_IBV | Spike glycoprotein | -6.08 | N/A | N/A | N/A | N/A |
| Comp2 | SPIKE_IBV | Spike glycoprotein | -5.61 | N/A | N/A | N/A | N/A |
| Comp3 | SPIKE_MERs | Spike glycoprotein | -6.15 | -5.60 | -5.01 | N/A | N/A |
| Comp2 | SPIKE_MERs | Spike glycoprotein | -6.48 | -5.88 | -4.95 | N/A | N/A |
| Comp3 | SPIKE_MHV | Spike glycoprotein | -6.99 | N/A | N/A | N/A | N/A |
| Comp2 | SPIKE_MHV | Spike glycoprotein | -6.49 | N/A | N/A | N/A | N/A |
| Comp3 | SPIKE_PDCoV | Spike protein | -6.06 | N/A | N/A | N/A | N/A |
| Comp2 | SPIKE_PDCoV | Spike protein | -5.83 | N/A | N/A | N/A | N/A |
| Comp3 | SPIKE_SARS | Spike glycoprotein | -6.15 | -6.09 | N/A | N/A | N/A |
| Comp2 | SPIKE_SARS | Spike glycoprotein | -5.59 | -6.62 | N/A | N/A | N/A |
| Comp3 | SPIKE_SARS2 | Spike glycoprotein | -6.03 | -5.39 | -5.24 | N/A | N/A |
| Comp2 | SPIKE_SARS2 | Spike glycoprotein | -5.49 | -5.74 | -5.78 | N/A | N/A |
| Comp3 | VP1_9CALI | Capsid protein | -6.66 | N/A | N/A | N/A | N/A |
| Comp2 | VP1_9CALI | Capsid protein | -6.96 | N/A | N/A | N/A | N/A |
| Comp3 | VP1_NVN68 | Capsid protein VP1 | -5.61 | N/A | N/A | N/A | N/A |
| Comp2 | VP1_NVN68 | Capsid protein VP1 | -5.81 | N/A | N/A | N/A | N/A |
| Comp3 | VP24_EBORE | Membrane-associated protein VP24 | -5.47 | N/A | N/A | N/A | N/A |
| Comp2 | VP24_EBORE | Membrane-associated protein VP24 | -5.79 | N/A | N/A | N/A | N/A |
| Comp3 | VP24_EBOSU | Membrane-associated protein VP24 | -4.58 | N/A | N/A | N/A | N/A |
| Comp2 | VP24_EBOSU | Membrane-associated protein VP24 | -4.68 | N/A | N/A | N/A | N/A |
| Comp3 | VP24_EBOZM | Membrane-associated protein VP24 | -5.78 | N/A | N/A | N/A | N/A |
| Comp2 | VP24_EBOZM | Membrane-associated protein VP24 | -5.52 | N/A | N/A | N/A | N/A |
| Comp3 | VP30_9MONO | Minor nucleoprotein VP30 | -5.69 | N/A | N/A | N/A | N/A |
| Comp2 | VP30_9MONO | Minor nucleoprotein VP30 | -6.00 | N/A | N/A | N/A | N/A |
| Comp3 | VP30_EBOZ5 | Transcriptional activator VP30 | -6.61 | N/A | N/A | N/A | N/A |
| Comp2 | VP30_EBOZ5 | Transcriptional activator VP30 | -6.31 | N/A | N/A | N/A | N/A |
| Comp3 | VP30_EBOZM | Transcriptional activator VP30 | -6.59 | N/A | N/A | N/A | N/A |
| Comp2 | VP30_EBOZM | Transcriptional activator VP30 | -6.79 | N/A | N/A | N/A | N/A |
| Comp3 | VP35_EBORR | Polymerase cofactor VP35 | -6.17 | N/A | N/A | N/A | N/A |
| Comp2 | VP35_EBORR | Polymerase cofactor VP35 | -6.64 | N/A | N/A | N/A | N/A |
| Comp3 | VP35_EBOZM | Polymerase cofactor VP35 | -5.65 | -5.79 | -5.65 | N/A | N/A |
| Comp2 | VP35_EBOZM | Polymerase cofactor VP35 | -5.92 | -6.33 | -6.08 | N/A | N/A |
| Comp3 | VP40_EBOZM | Matrix protein VP40 | -5.67 | -5.38 | N/A | N/A | N/A |
| Comp2 | VP40_EBOZM | Matrix protein VP40 | -6.24 | -5.17 | N/A | N/A | N/A |