| Ligand | Protein Symbol | Approved Name | Docking Scores |
Similarity Score |
Best Match | ||
|---|---|---|---|---|---|---|---|
| Model 1 | Model 2 | Model 3 | |||||
| Bictegravir | GP160_HIV1 | Envelope glycoprotein gp160 | -8.02 | -8.18 | -7.38 | N/A | N/A |
| Darunavir | GP160_HIV1 | Envelope glycoprotein gp160 | -7.52 | -7.92 | -5.73 | N/A | N/A |
| Baloxavir marboxil | GP160_HIV1 | Envelope glycoprotein gp160 | -7.91 | -7.32 | -7.60 | N/A | N/A |
| Simeprevir | GP160_HIV1 | Envelope glycoprotein gp160 | -7.59 | -8.56 | -8.60 | N/A | N/A |
| Adefovir dipivoxil | GP160_HIV1 | Envelope glycoprotein gp160 | -7.10 | -6.68 | -6.81 | N/A | N/A |
| Bictegravir | GP160_HIV2 | Envelope glycoprotein gp160 | -8.60 | N/A | N/A | N/A | N/A |
| Darunavir | GP160_HIV2 | Envelope glycoprotein gp160 | -7.57 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | GP160_HIV2 | Envelope glycoprotein gp160 | -6.82 | N/A | N/A | N/A | N/A |
| Simeprevir | GP160_HIV2 | Envelope glycoprotein gp160 | -7.89 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | GP160_HIV2 | Envelope glycoprotein gp160 | -6.33 | N/A | N/A | N/A | N/A |
| Bictegravir | GP_EBOV | Envelope glycoprotein | -9.34 | -9.70 | -8.73 | 31.95% | CHEMBL3125895 |
| Darunavir | GP_EBOV | Envelope glycoprotein | -7.96 | -7.64 | -7.80 | 29.13% | CHEMBL3125899 |
| Baloxavir marboxil | GP_EBOV | Envelope glycoprotein | -7.36 | -6.63 | -7.64 | 25.89% | CHEMBL3125895 |
| Simeprevir | GP_EBOV | Envelope glycoprotein | -9.40 | -8.37 | -8.23 | 39.60% | CHEMBL3125899 |
| Adefovir dipivoxil | GP_EBOV | Envelope glycoprotein | -6.69 | -6.63 | -6.49 | 15.44% | CHEMBL3125895 |
| Bictegravir | HA_A-H10N7 | Hemagglutinin | -8.76 | N/A | N/A | N/A | N/A |
| Darunavir | HA_A-H10N7 | Hemagglutinin | -6.51 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | HA_A-H10N7 | Hemagglutinin | -7.64 | N/A | N/A | N/A | N/A |
| Simeprevir | HA_A-H10N7 | Hemagglutinin | -7.96 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | HA_A-H10N7 | Hemagglutinin | -5.59 | N/A | N/A | N/A | N/A |
| Bictegravir | HA_A-H10N8 | Hemagglutinin | -7.43 | N/A | N/A | N/A | N/A |
| Darunavir | HA_A-H10N8 | Hemagglutinin | -6.60 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | HA_A-H10N8 | Hemagglutinin | -7.45 | N/A | N/A | N/A | N/A |
| Simeprevir | HA_A-H10N8 | Hemagglutinin | -8.38 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | HA_A-H10N8 | Hemagglutinin | -5.80 | N/A | N/A | N/A | N/A |
| Bictegravir | HA_A-H13N6 | Hemagglutinin | -5.11 | N/A | N/A | N/A | N/A |
| Darunavir | HA_A-H13N6 | Hemagglutinin | 7.67 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | HA_A-H13N6 | Hemagglutinin | 24.13 | N/A | N/A | N/A | N/A |
| Simeprevir | HA_A-H13N6 | Hemagglutinin | -7.46 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | HA_A-H13N6 | Hemagglutinin | 1.69 | N/A | N/A | N/A | N/A |
| Bictegravir | HA_A-H14N6 | Hemagglutinin | -8.81 | N/A | N/A | N/A | N/A |
| Darunavir | HA_A-H14N6 | Hemagglutinin | -6.91 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | HA_A-H14N6 | Hemagglutinin | -7.41 | N/A | N/A | N/A | N/A |
| Simeprevir | HA_A-H14N6 | Hemagglutinin | -7.96 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | HA_A-H14N6 | Hemagglutinin | -6.12 | N/A | N/A | N/A | N/A |
| Bictegravir | HA_A-H15N9 | Hemagglutinin | -8.31 | N/A | N/A | N/A | N/A |
| Darunavir | HA_A-H15N9 | Hemagglutinin | -6.61 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | HA_A-H15N9 | Hemagglutinin | -7.37 | N/A | N/A | N/A | N/A |
| Simeprevir | HA_A-H15N9 | Hemagglutinin | -8.36 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | HA_A-H15N9 | Hemagglutinin | -6.00 | N/A | N/A | N/A | N/A |
| Bictegravir | HA_A-H17N10 | Hemagglutinin | -7.19 | N/A | N/A | N/A | N/A |
| Darunavir | HA_A-H17N10 | Hemagglutinin | -6.06 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | HA_A-H17N10 | Hemagglutinin | -6.84 | N/A | N/A | N/A | N/A |
| Simeprevir | HA_A-H17N10 | Hemagglutinin | -7.59 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | HA_A-H17N10 | Hemagglutinin | -4.89 | N/A | N/A | N/A | N/A |
| Bictegravir | HA_A-H18N11 | Hemagglutinin | -6.53 | N/A | N/A | N/A | N/A |
| Darunavir | HA_A-H18N11 | Hemagglutinin | -5.91 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | HA_A-H18N11 | Hemagglutinin | -6.47 | N/A | N/A | N/A | N/A |
| Simeprevir | HA_A-H18N11 | Hemagglutinin | -8.14 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | HA_A-H18N11 | Hemagglutinin | -5.12 | N/A | N/A | N/A | N/A |
| Bictegravir | HA_A-H1N1 | Hemagglutinin | -7.81 | -7.91 | N/A | N/A | N/A |
| Darunavir | HA_A-H1N1 | Hemagglutinin | -6.44 | -6.43 | N/A | N/A | N/A |
| Baloxavir marboxil | HA_A-H1N1 | Hemagglutinin | -7.46 | -7.51 | N/A | N/A | N/A |
| Simeprevir | HA_A-H1N1 | Hemagglutinin | -7.53 | -7.64 | N/A | N/A | N/A |
| Adefovir dipivoxil | HA_A-H1N1 | Hemagglutinin | -5.94 | -5.87 | N/A | N/A | N/A |
| Bictegravir | HA_A-H2N2 | Hemagglutinin | -7.84 | -7.01 | N/A | N/A | N/A |
| Darunavir | HA_A-H2N2 | Hemagglutinin | -6.20 | -5.66 | N/A | N/A | N/A |
| Baloxavir marboxil | HA_A-H2N2 | Hemagglutinin | -6.66 | -7.62 | N/A | N/A | N/A |
| Simeprevir | HA_A-H2N2 | Hemagglutinin | -7.86 | -7.43 | N/A | N/A | N/A |
| Adefovir dipivoxil | HA_A-H2N2 | Hemagglutinin | -4.98 | -5.58 | N/A | N/A | N/A |
| Bictegravir | HA_A-H3N2 | Hemagglutinin | -8.23 | -8.29 | -7.91 | N/A | N/A |
| Darunavir | HA_A-H3N2 | Hemagglutinin | -6.65 | -6.22 | -6.72 | N/A | N/A |
| Baloxavir marboxil | HA_A-H3N2 | Hemagglutinin | -6.94 | -6.90 | -7.19 | N/A | N/A |
| Simeprevir | HA_A-H3N2 | Hemagglutinin | -7.90 | -7.64 | -7.89 | N/A | N/A |
| Adefovir dipivoxil | HA_A-H3N2 | Hemagglutinin | -5.26 | -5.33 | -5.73 | N/A | N/A |
| Bictegravir | HA_A-H3N8 | Hemagglutinin | -7.32 | -7.63 | -7.35 | N/A | N/A |
| Darunavir | HA_A-H3N8 | Hemagglutinin | -5.59 | -5.96 | -5.84 | N/A | N/A |
| Baloxavir marboxil | HA_A-H3N8 | Hemagglutinin | -6.48 | -6.76 | -6.85 | N/A | N/A |
| Simeprevir | HA_A-H3N8 | Hemagglutinin | -7.64 | -7.45 | -7.04 | N/A | N/A |
| Adefovir dipivoxil | HA_A-H3N8 | Hemagglutinin | -5.45 | -5.09 | -5.51 | N/A | N/A |
| Bictegravir | HA_A-H5N1 | Hemagglutinin | -8.51 | -8.10 | -8.04 | N/A | N/A |
| Darunavir | HA_A-H5N1 | Hemagglutinin | -6.82 | -6.14 | -6.09 | N/A | N/A |
| Baloxavir marboxil | HA_A-H5N1 | Hemagglutinin | -6.90 | -7.48 | -7.16 | N/A | N/A |
| Simeprevir | HA_A-H5N1 | Hemagglutinin | -8.39 | -7.79 | -7.96 | N/A | N/A |
| Adefovir dipivoxil | HA_A-H5N1 | Hemagglutinin | -5.32 | -5.87 | -5.82 | N/A | N/A |
| Bictegravir | HA_A-H5N3 | Hemagglutinin | -7.27 | -8.05 | N/A | N/A | N/A |
| Darunavir | HA_A-H5N3 | Hemagglutinin | -6.14 | -6.76 | N/A | N/A | N/A |
| Baloxavir marboxil | HA_A-H5N3 | Hemagglutinin | -7.42 | -7.05 | N/A | N/A | N/A |
| Simeprevir | HA_A-H5N3 | Hemagglutinin | -7.84 | -7.98 | N/A | N/A | N/A |
| Adefovir dipivoxil | HA_A-H5N3 | Hemagglutinin | -5.69 | -5.30 | N/A | N/A | N/A |
| Bictegravir | HA_A-H6N1 | Hemagglutinin | -7.43 | N/A | N/A | N/A | N/A |
| Darunavir | HA_A-H6N1 | Hemagglutinin | -6.60 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | HA_A-H6N1 | Hemagglutinin | -7.45 | N/A | N/A | N/A | N/A |
| Simeprevir | HA_A-H6N1 | Hemagglutinin | -8.38 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | HA_A-H6N1 | Hemagglutinin | -5.80 | N/A | N/A | N/A | N/A |
| Bictegravir | HA_A-H6N6 | Hemagglutinin | -7.89 | N/A | N/A | N/A | N/A |
| Darunavir | HA_A-H6N6 | Hemagglutinin | -6.96 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | HA_A-H6N6 | Hemagglutinin | -6.86 | N/A | N/A | N/A | N/A |
| Simeprevir | HA_A-H6N6 | Hemagglutinin | -7.94 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | HA_A-H6N6 | Hemagglutinin | -5.76 | N/A | N/A | N/A | N/A |
| Bictegravir | HA_A-H7N2 | Hemagglutinin | -7.41 | -7.32 | -7.29 | N/A | N/A |
| Darunavir | HA_A-H7N2 | Hemagglutinin | -6.31 | -6.11 | -6.70 | N/A | N/A |
| Baloxavir marboxil | HA_A-H7N2 | Hemagglutinin | -6.94 | -7.11 | -6.84 | N/A | N/A |
| Simeprevir | HA_A-H7N2 | Hemagglutinin | -7.97 | -8.04 | -7.33 | N/A | N/A |
| Adefovir dipivoxil | HA_A-H7N2 | Hemagglutinin | -5.53 | -5.90 | -6.14 | N/A | N/A |
| Bictegravir | HA_A-H7N7 | Hemagglutinin | -7.31 | -8.91 | N/A | N/A | N/A |
| Darunavir | HA_A-H7N7 | Hemagglutinin | -6.28 | -7.19 | N/A | N/A | N/A |
| Baloxavir marboxil | HA_A-H7N7 | Hemagglutinin | -6.98 | -8.30 | N/A | N/A | N/A |
| Simeprevir | HA_A-H7N7 | Hemagglutinin | -8.38 | -8.23 | N/A | N/A | N/A |
| Adefovir dipivoxil | HA_A-H7N7 | Hemagglutinin | -5.47 | -6.03 | N/A | N/A | N/A |
| Bictegravir | HA_A-H7N9 | Hemagglutinin | -7.74 | N/A | N/A | N/A | N/A |
| Darunavir | HA_A-H7N9 | Hemagglutinin | -6.79 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | HA_A-H7N9 | Hemagglutinin | -7.63 | N/A | N/A | N/A | N/A |
| Simeprevir | HA_A-H7N9 | Hemagglutinin | -7.71 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | HA_A-H7N9 | Hemagglutinin | -5.73 | N/A | N/A | N/A | N/A |
| Bictegravir | HA_INFB | Hemagglutinin | -7.97 | -8.24 | N/A | N/A | N/A |
| Darunavir | HA_INFB | Hemagglutinin | -7.00 | -6.34 | N/A | N/A | N/A |
| Baloxavir marboxil | HA_INFB | Hemagglutinin | -7.23 | -7.05 | N/A | N/A | N/A |
| Simeprevir | HA_INFB | Hemagglutinin | -8.35 | -8.09 | N/A | N/A | N/A |
| Adefovir dipivoxil | HA_INFB | Hemagglutinin | -5.60 | -5.98 | N/A | N/A | N/A |
| Bictegravir | HA_INFD | Hemagglutinin-esterase-fusion glycoprotein | -5.24 | N/A | N/A | N/A | N/A |
| Darunavir | HA_INFD | Hemagglutinin-esterase-fusion glycoprotein | 0.58 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | HA_INFD | Hemagglutinin-esterase-fusion glycoprotein | 0.81 | N/A | N/A | N/A | N/A |
| Simeprevir | HA_INFD | Hemagglutinin-esterase-fusion glycoprotein | -7.63 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | HA_INFD | Hemagglutinin-esterase-fusion glycoprotein | -2.09 | N/A | N/A | N/A | N/A |
| Bictegravir | HE_BCV | Hemagglutinin-esterase | -8.44 | -7.89 | N/A | N/A | N/A |
| Darunavir | HE_BCV | Hemagglutinin-esterase | -7.11 | -6.13 | N/A | N/A | N/A |
| Baloxavir marboxil | HE_BCV | Hemagglutinin-esterase | -7.29 | -7.34 | N/A | N/A | N/A |
| Simeprevir | HE_BCV | Hemagglutinin-esterase | -8.53 | -7.93 | N/A | N/A | N/A |
| Adefovir dipivoxil | HE_BCV | Hemagglutinin-esterase | -5.55 | -5.59 | N/A | N/A | N/A |
| Bictegravir | HE_HCoV-OC43 | Hemagglutinin-esterase | -7.02 | N/A | N/A | N/A | N/A |
| Darunavir | HE_HCoV-OC43 | Hemagglutinin-esterase | -6.17 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | HE_HCoV-OC43 | Hemagglutinin-esterase | -6.77 | N/A | N/A | N/A | N/A |
| Simeprevir | HE_HCoV-OC43 | Hemagglutinin-esterase | -7.36 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | HE_HCoV-OC43 | Hemagglutinin-esterase | -5.11 | N/A | N/A | N/A | N/A |
| Bictegravir | HE_MHV | Hemagglutinin-esterase | -7.29 | N/A | N/A | N/A | N/A |
| Darunavir | HE_MHV | Hemagglutinin-esterase | -6.35 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | HE_MHV | Hemagglutinin-esterase | -6.83 | N/A | N/A | N/A | N/A |
| Simeprevir | HE_MHV | Hemagglutinin-esterase | -7.89 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | HE_MHV | Hemagglutinin-esterase | -5.24 | N/A | N/A | N/A | N/A |
| Bictegravir | IN_HIV1 | Gag-Pol polyprotein | -6.27 | -6.94 | N/A | N/A | N/A |
| Darunavir | IN_HIV1 | Gag-Pol polyprotein | -5.92 | -6.28 | N/A | N/A | N/A |
| Baloxavir marboxil | IN_HIV1 | Gag-Pol polyprotein | -6.17 | -5.96 | N/A | N/A | N/A |
| Simeprevir | IN_HIV1 | Gag-Pol polyprotein | -6.44 | -7.12 | N/A | N/A | N/A |
| Adefovir dipivoxil | IN_HIV1 | Gag-Pol polyprotein | -4.93 | -4.91 | N/A | N/A | N/A |
| Bictegravir | MD_HKU4 | Replicase polyprotein 1ab | -10.19 | -10.05 | -10.22 | N/A | N/A |
| Darunavir | MD_HKU4 | Replicase polyprotein 1ab | -8.45 | -8.03 | -7.83 | N/A | N/A |
| Baloxavir marboxil | MD_HKU4 | Replicase polyprotein 1ab | -7.57 | -6.90 | -7.11 | N/A | N/A |
| Simeprevir | MD_HKU4 | Replicase polyprotein 1ab | -8.97 | -9.35 | -8.89 | N/A | N/A |
| Adefovir dipivoxil | MD_HKU4 | Replicase polyprotein 1ab | -8.43 | -7.24 | -7.89 | N/A | N/A |
| Bictegravir | MD_MERs | Replicase polyprotein 1a | -10.38 | -10.08 | N/A | N/A | N/A |
| Darunavir | MD_MERs | Replicase polyprotein 1a | -8.39 | -8.69 | N/A | N/A | N/A |
| Baloxavir marboxil | MD_MERs | Replicase polyprotein 1a | -8.11 | -8.35 | N/A | N/A | N/A |
| Simeprevir | MD_MERs | Replicase polyprotein 1a | -9.43 | -9.99 | N/A | N/A | N/A |
| Adefovir dipivoxil | MD_MERs | Replicase polyprotein 1a | -8.52 | -7.89 | N/A | N/A | N/A |
| Bictegravir | MX2_A-H5N1 | Matrix protein 2 | -9.98 | N/A | N/A | N/A | N/A |
| Darunavir | MX2_A-H5N1 | Matrix protein 2 | -7.03 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | MX2_A-H5N1 | Matrix protein 2 | 3.74 | N/A | N/A | N/A | N/A |
| Simeprevir | MX2_A-H5N1 | Matrix protein 2 | 33.15 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | MX2_A-H5N1 | Matrix protein 2 | -5.98 | N/A | N/A | N/A | N/A |
| Bictegravir | NA_A-H11N6 | Neuraminidase | -9.92 | -9.55 | -9.60 | N/A | N/A |
| Darunavir | NA_A-H11N6 | Neuraminidase | -8.31 | -8.58 | -7.38 | N/A | N/A |
| Baloxavir marboxil | NA_A-H11N6 | Neuraminidase | -7.59 | -7.57 | -7.60 | N/A | N/A |
| Simeprevir | NA_A-H11N6 | Neuraminidase | -9.25 | -9.06 | -8.78 | N/A | N/A |
| Adefovir dipivoxil | NA_A-H11N6 | Neuraminidase | -7.28 | -7.22 | -7.10 | N/A | N/A |
| Bictegravir | NA_A-H11N9 | Neuraminidase | -8.21 | -9.74 | -9.42 | N/A | N/A |
| Darunavir | NA_A-H11N9 | Neuraminidase | -7.13 | -8.12 | -7.37 | N/A | N/A |
| Baloxavir marboxil | NA_A-H11N9 | Neuraminidase | -7.75 | -8.06 | -8.01 | N/A | N/A |
| Simeprevir | NA_A-H11N9 | Neuraminidase | -6.93 | -8.91 | -9.06 | N/A | N/A |
| Adefovir dipivoxil | NA_A-H11N9 | Neuraminidase | -6.80 | -6.90 | -7.18 | N/A | N/A |
| Bictegravir | NA_A-H12N5 | Neuraminidase | -9.67 | -9.61 | -9.66 | N/A | N/A |
| Darunavir | NA_A-H12N5 | Neuraminidase | -8.07 | -8.12 | -8.00 | N/A | N/A |
| Baloxavir marboxil | NA_A-H12N5 | Neuraminidase | -9.43 | -7.51 | -6.93 | N/A | N/A |
| Simeprevir | NA_A-H12N5 | Neuraminidase | -9.11 | -9.35 | -9.31 | N/A | N/A |
| Adefovir dipivoxil | NA_A-H12N5 | Neuraminidase | -7.19 | -7.17 | -6.81 | N/A | N/A |
| Bictegravir | NA_A-H13N9 | Neuraminidase | -8.35 | N/A | N/A | N/A | N/A |
| Darunavir | NA_A-H13N9 | Neuraminidase | -5.74 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | NA_A-H13N9 | Neuraminidase | -6.88 | N/A | N/A | N/A | N/A |
| Simeprevir | NA_A-H13N9 | Neuraminidase | -7.18 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | NA_A-H13N9 | Neuraminidase | -5.27 | N/A | N/A | N/A | N/A |
| Bictegravir | NA_A-H17N10 | Neuraminidase | -9.24 | N/A | N/A | N/A | N/A |
| Darunavir | NA_A-H17N10 | Neuraminidase | -7.64 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | NA_A-H17N10 | Neuraminidase | -7.57 | N/A | N/A | N/A | N/A |
| Simeprevir | NA_A-H17N10 | Neuraminidase | -8.16 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | NA_A-H17N10 | Neuraminidase | -6.59 | N/A | N/A | N/A | N/A |
| Bictegravir | NA_A-H18N11 | Neuraminidase | -8.37 | N/A | N/A | N/A | N/A |
| Darunavir | NA_A-H18N11 | Neuraminidase | -6.26 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | NA_A-H18N11 | Neuraminidase | -8.32 | N/A | N/A | N/A | N/A |
| Simeprevir | NA_A-H18N11 | Neuraminidase | -8.70 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | NA_A-H18N11 | Neuraminidase | -6.29 | N/A | N/A | N/A | N/A |
| Bictegravir | NA_A-H1N1 | Neuraminidase | -9.58 | N/A | N/A | N/A | N/A |
| Darunavir | NA_A-H1N1 | Neuraminidase | -7.38 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | NA_A-H1N1 | Neuraminidase | -7.63 | N/A | N/A | N/A | N/A |
| Simeprevir | NA_A-H1N1 | Neuraminidase | -10.61 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | NA_A-H1N1 | Neuraminidase | -7.22 | N/A | N/A | N/A | N/A |
| Bictegravir | NA_A-H2N2 | Neuraminidase | -8.68 | -10.03 | -9.34 | N/A | N/A |
| Darunavir | NA_A-H2N2 | Neuraminidase | -7.67 | -7.69 | -7.81 | N/A | N/A |
| Baloxavir marboxil | NA_A-H2N2 | Neuraminidase | -7.95 | -8.75 | -7.74 | N/A | N/A |
| Simeprevir | NA_A-H2N2 | Neuraminidase | -8.98 | -9.90 | -9.59 | N/A | N/A |
| Adefovir dipivoxil | NA_A-H2N2 | Neuraminidase | -7.05 | -7.41 | -7.31 | N/A | N/A |
| Bictegravir | NA_A-H3N2 | Ig heavy chain Mem5 | -9.29 | -9.28 | N/A | N/A | N/A |
| Darunavir | NA_A-H3N2 | Ig heavy chain Mem5 | -7.29 | -7.33 | N/A | N/A | N/A |
| Baloxavir marboxil | NA_A-H3N2 | Ig heavy chain Mem5 | -8.08 | -7.33 | N/A | N/A | N/A |
| Simeprevir | NA_A-H3N2 | Ig heavy chain Mem5 | -9.40 | -8.37 | N/A | N/A | N/A |
| Adefovir dipivoxil | NA_A-H3N2 | Ig heavy chain Mem5 | -7.11 | -6.62 | N/A | N/A | N/A |
| Bictegravir | NA_A-H3N8 | Neuraminidase | -9.62 | -9.33 | -10.04 | N/A | N/A |
| Darunavir | NA_A-H3N8 | Neuraminidase | -7.56 | -8.63 | -7.54 | N/A | N/A |
| Baloxavir marboxil | NA_A-H3N8 | Neuraminidase | -7.47 | -9.29 | -9.70 | N/A | N/A |
| Simeprevir | NA_A-H3N8 | Neuraminidase | -9.30 | -8.87 | -9.42 | N/A | N/A |
| Adefovir dipivoxil | NA_A-H3N8 | Neuraminidase | -7.14 | -7.75 | -7.69 | N/A | N/A |
| Bictegravir | NA_A-H5N1 | Neuraminidase | -9.17 | N/A | N/A | N/A | N/A |
| Darunavir | NA_A-H5N1 | Neuraminidase | -7.41 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | NA_A-H5N1 | Neuraminidase | -9.54 | N/A | N/A | N/A | N/A |
| Simeprevir | NA_A-H5N1 | Neuraminidase | -9.32 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | NA_A-H5N1 | Neuraminidase | -7.98 | N/A | N/A | N/A | N/A |
| Bictegravir | NA_A-H7N9 | Neuraminidase | -9.64 | -9.85 | -9.61 | N/A | N/A |
| Darunavir | NA_A-H7N9 | Neuraminidase | -7.74 | -8.21 | -8.30 | N/A | N/A |
| Baloxavir marboxil | NA_A-H7N9 | Neuraminidase | -8.04 | -7.72 | -7.81 | N/A | N/A |
| Simeprevir | NA_A-H7N9 | Neuraminidase | -8.73 | -9.24 | -9.10 | N/A | N/A |
| Adefovir dipivoxil | NA_A-H7N9 | Neuraminidase | -7.22 | -7.35 | -7.09 | N/A | N/A |
| Bictegravir | NA_INFB | Neuraminidase | -8.98 | -8.55 | N/A | 31.12% | CHEMBL4175983 |
| Darunavir | NA_INFB | Neuraminidase | -7.99 | -8.19 | N/A | 29.03% | CHEMBL348066 |
| Baloxavir marboxil | NA_INFB | Neuraminidase | -7.35 | -7.82 | N/A | 21.78% | CHEMBL4175983 |
| Simeprevir | NA_INFB | Neuraminidase | -8.26 | -8.28 | N/A | 35.05% | CHEMBL4161935 |
| Adefovir dipivoxil | NA_INFB | Neuraminidase | -6.63 | -6.99 | N/A | 18.33% | CHEMBL183817 |
| Bictegravir | NP_A-H1N1 | Nucleoprotein | -7.87 | -8.34 | -8.75 | N/A | N/A |
| Darunavir | NP_A-H1N1 | Nucleoprotein | -5.91 | -8.09 | -6.06 | N/A | N/A |
| Baloxavir marboxil | NP_A-H1N1 | Nucleoprotein | -6.58 | -6.15 | -6.68 | N/A | N/A |
| Simeprevir | NP_A-H1N1 | Nucleoprotein | -6.83 | -7.84 | -8.19 | N/A | N/A |
| Adefovir dipivoxil | NP_A-H1N1 | Nucleoprotein | -4.72 | -6.01 | -5.54 | N/A | N/A |
| Bictegravir | NP_A-H5N1 | Nucleoprotein | -8.06 | N/A | N/A | N/A | N/A |
| Darunavir | NP_A-H5N1 | Nucleoprotein | -6.22 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | NP_A-H5N1 | Nucleoprotein | -6.83 | N/A | N/A | N/A | N/A |
| Simeprevir | NP_A-H5N1 | Nucleoprotein | -7.44 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | NP_A-H5N1 | Nucleoprotein | -5.36 | N/A | N/A | N/A | N/A |
| Bictegravir | NP_HCoV-NL63 | Nucleoprotein | -9.22 | N/A | N/A | N/A | N/A |
| Darunavir | NP_HCoV-NL63 | Nucleoprotein | -7.00 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | NP_HCoV-NL63 | Nucleoprotein | -8.12 | N/A | N/A | N/A | N/A |
| Simeprevir | NP_HCoV-NL63 | Nucleoprotein | -8.68 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | NP_HCoV-NL63 | Nucleoprotein | -6.63 | N/A | N/A | N/A | N/A |
| Bictegravir | NP_HCoV-OC43 | Nucleoprotein | -11.95 | -8.90 | -8.08 | 15.54% | CHEMBL3233481 |
| Darunavir | NP_HCoV-OC43 | Nucleoprotein | -7.30 | -7.43 | -7.13 | 12.32% | CHEMBL3233481 |
| Baloxavir marboxil | NP_HCoV-OC43 | Nucleoprotein | -8.11 | -7.40 | -7.37 | 13.71% | CHEMBL3233481 |
| Simeprevir | NP_HCoV-OC43 | Nucleoprotein | -8.91 | -8.09 | -8.36 | 13.45% | CHEMBL3233481 |
| Adefovir dipivoxil | NP_HCoV-OC43 | Nucleoprotein | -6.70 | -5.61 | -6.07 | 9.94% | CHEMBL3233481 |
| Bictegravir | NP_INFB | Nucleoprotein | -6.19 | N/A | N/A | N/A | N/A |
| Darunavir | NP_INFB | Nucleoprotein | -5.62 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | NP_INFB | Nucleoprotein | -5.99 | N/A | N/A | N/A | N/A |
| Simeprevir | NP_INFB | Nucleoprotein | -6.82 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | NP_INFB | Nucleoprotein | -5.23 | N/A | N/A | N/A | N/A |
| Bictegravir | NP_INFD | NP | -6.76 | N/A | N/A | N/A | N/A |
| Darunavir | NP_INFD | NP | -5.36 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | NP_INFD | NP | -5.32 | N/A | N/A | N/A | N/A |
| Simeprevir | NP_INFD | NP | -6.04 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | NP_INFD | NP | -4.95 | N/A | N/A | N/A | N/A |
| Bictegravir | NP_SARS | Nucleoprotein | -9.04 | N/A | N/A | N/A | N/A |
| Darunavir | NP_SARS | Nucleoprotein | -7.91 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | NP_SARS | Nucleoprotein | -8.33 | N/A | N/A | N/A | N/A |
| Simeprevir | NP_SARS | Nucleoprotein | -8.76 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | NP_SARS | Nucleoprotein | -6.41 | N/A | N/A | N/A | N/A |
| Bictegravir | NS3_HCV1A | Genome polyprotein | -7.77 | -7.76 | -9.84 | 37.41% | CHEMBL3645743 |
| Darunavir | NS3_HCV1A | Genome polyprotein | -5.68 | -6.08 | -6.69 | 27.85% | CHEMBL3639445 |
| Baloxavir marboxil | NS3_HCV1A | Genome polyprotein | -7.22 | -7.01 | -6.56 | 33.49% | CHEMBL3896463 |
| Simeprevir | NS3_HCV1A | Genome polyprotein | -8.65 | -6.74 | -7.62 | 41.64% | CHEMBL3645743 |
| Adefovir dipivoxil | NS3_HCV1A | Genome polyprotein | -5.68 | -5.23 | -5.95 | 33.62% | CHEMBL3696817 |
| Bictegravir | NS3_HCV1B | Genome polyprotein | -10.06 | -10.79 | -7.31 | 35.82% | CHEMBL3954962 |
| Darunavir | NS3_HCV1B | Genome polyprotein | -8.90 | -7.16 | -6.11 | 36.30% | CHEMBL1170417 |
| Baloxavir marboxil | NS3_HCV1B | Genome polyprotein | -6.99 | -6.96 | -7.00 | 25.95% | CHEMBL1170417 |
| Simeprevir | NS3_HCV1B | Genome polyprotein | -7.46 | -7.85 | -7.56 | 53.64% | CHEMBL297884 |
| Adefovir dipivoxil | NS3_HCV1B | Genome polyprotein | -6.25 | -6.86 | -5.68 | 17.13% | CHEMBL3125634 |
| Bictegravir | NS3_HCV3A | Genome polyprotein | -9.34 | -9.04 | -7.87 | N/A | N/A |
| Darunavir | NS3_HCV3A | Genome polyprotein | -7.20 | -7.25 | -6.96 | N/A | N/A |
| Baloxavir marboxil | NS3_HCV3A | Genome polyprotein | -7.48 | -7.49 | -7.05 | N/A | N/A |
| Simeprevir | NS3_HCV3A | Genome polyprotein | -7.27 | -8.68 | -7.68 | N/A | N/A |
| Adefovir dipivoxil | NS3_HCV3A | Genome polyprotein | -6.57 | -6.42 | -6.53 | N/A | N/A |
| Bictegravir | NS5B_HCV1A | Genome polyprotein | -10.61 | -9.96 | -10.18 | 36.11% | CHEMBL3644880 |
| Darunavir | NS5B_HCV1A | Genome polyprotein | -8.15 | -8.55 | -9.28 | 42.02% | CHEMBL3644924 |
| Baloxavir marboxil | NS5B_HCV1A | Genome polyprotein | -9.33 | -8.87 | -9.22 | 26.10% | CHEMBL353549 |
| Simeprevir | NS5B_HCV1A | Genome polyprotein | -11.63 | -10.70 | -10.62 | 42.12% | CHEMBL3644920 |
| Adefovir dipivoxil | NS5B_HCV1A | Genome polyprotein | -6.57 | -8.33 | -8.17 | 22.31% | CHEMBL353549 |
| Bictegravir | NS5B_HCV1B | Genome polyprotein | -9.58 | -9.62 | -8.92 | 36.31% | CHEMBL3645214 |
| Darunavir | NS5B_HCV1B | Genome polyprotein | -8.06 | -8.35 | -8.06 | 35.40% | CHEMBL3645211 |
| Baloxavir marboxil | NS5B_HCV1B | Genome polyprotein | -7.59 | -7.06 | -7.91 | 32.79% | CHEMBL3645182 |
| Simeprevir | NS5B_HCV1B | Genome polyprotein | -8.77 | -9.44 | -8.20 | 36.98% | CHEMBL3645202 |
| Adefovir dipivoxil | NS5B_HCV1B | Genome polyprotein | -6.64 | -6.76 | -6.17 | 22.94% | CHEMBL3970609 |
| Bictegravir | NS5B_HCV2A | Genome polyprotein | -11.00 | -10.69 | N/A | N/A | N/A |
| Darunavir | NS5B_HCV2A | Genome polyprotein | -9.43 | -8.70 | N/A | N/A | N/A |
| Baloxavir marboxil | NS5B_HCV2A | Genome polyprotein | -8.92 | -5.96 | N/A | N/A | N/A |
| Simeprevir | NS5B_HCV2A | Genome polyprotein | -9.63 | -5.07 | N/A | N/A | N/A |
| Adefovir dipivoxil | NS5B_HCV2A | Genome polyprotein | -8.05 | -8.22 | N/A | N/A | N/A |
| Bictegravir | NSP15_SARS | Replicase polyprotein 1ab | -8.04 | N/A | N/A | 24.29% | CHEMBL2441745 |
| Darunavir | NSP15_SARS | Replicase polyprotein 1ab | -5.62 | N/A | N/A | 34.91% | CHEMBL2441745 |
| Baloxavir marboxil | NSP15_SARS | Replicase polyprotein 1ab | -6.51 | N/A | N/A | 20.36% | CHEMBL3105073 |
| Simeprevir | NSP15_SARS | Replicase polyprotein 1ab | 4.45 | N/A | N/A | 25.42% | CHEMBL2441745 |
| Adefovir dipivoxil | NSP15_SARS | Replicase polyprotein 1ab | -5.51 | N/A | N/A | 15.05% | CHEMBL2441741 |
| Bictegravir | NSP1_INFB | Non-structural protein 1 | -7.15 | -7.45 | N/A | N/A | N/A |
| Darunavir | NSP1_INFB | Non-structural protein 1 | -6.71 | -6.76 | N/A | N/A | N/A |
| Baloxavir marboxil | NSP1_INFB | Non-structural protein 1 | -6.74 | -6.61 | N/A | N/A | N/A |
| Simeprevir | NSP1_INFB | Non-structural protein 1 | -7.38 | -7.55 | N/A | N/A | N/A |
| Adefovir dipivoxil | NSP1_INFB | Non-structural protein 1 | -5.30 | -5.28 | N/A | N/A | N/A |
| Bictegravir | NSP1_SARS | Replicase polyprotein 1ab | -7.95 | N/A | N/A | 24.29% | CHEMBL2441745 |
| Darunavir | NSP1_SARS | Replicase polyprotein 1ab | -6.03 | N/A | N/A | 34.91% | CHEMBL2441745 |
| Baloxavir marboxil | NSP1_SARS | Replicase polyprotein 1ab | -5.11 | N/A | N/A | 20.36% | CHEMBL3105073 |
| Simeprevir | NSP1_SARS | Replicase polyprotein 1ab | -5.92 | N/A | N/A | 25.42% | CHEMBL2441745 |
| Adefovir dipivoxil | NSP1_SARS | Replicase polyprotein 1ab | -5.85 | N/A | N/A | 15.05% | CHEMBL2441741 |
| Bictegravir | NSP3_HCoV-229E | Replicase polyprotein 1a | -11.83 | N/A | N/A | N/A | N/A |
| Darunavir | NSP3_HCoV-229E | Replicase polyprotein 1a | -8.60 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | NSP3_HCoV-229E | Replicase polyprotein 1a | -6.17 | N/A | N/A | N/A | N/A |
| Simeprevir | NSP3_HCoV-229E | Replicase polyprotein 1a | -9.81 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | NSP3_HCoV-229E | Replicase polyprotein 1a | -7.51 | N/A | N/A | N/A | N/A |
| Bictegravir | NSP3_IBV | Replicase polyprotein 1a | -10.98 | N/A | N/A | N/A | N/A |
| Darunavir | NSP3_IBV | Replicase polyprotein 1a | -8.39 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | NSP3_IBV | Replicase polyprotein 1a | -6.96 | N/A | N/A | N/A | N/A |
| Simeprevir | NSP3_IBV | Replicase polyprotein 1a | -9.03 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | NSP3_IBV | Replicase polyprotein 1a | -6.88 | N/A | N/A | N/A | N/A |
| Bictegravir | NSP3_MHV | Replicase polyprotein 1ab | -5.99 | N/A | N/A | N/A | N/A |
| Darunavir | NSP3_MHV | Replicase polyprotein 1ab | -2.60 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | NSP3_MHV | Replicase polyprotein 1ab | -1.05 | N/A | N/A | N/A | N/A |
| Simeprevir | NSP3_MHV | Replicase polyprotein 1ab | -6.99 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | NSP3_MHV | Replicase polyprotein 1ab | -3.22 | N/A | N/A | N/A | N/A |
| Bictegravir | NSP9_HCoV-229E | Replicase polyprotein 1ab | -7.93 | -8.26 | N/A | N/A | N/A |
| Darunavir | NSP9_HCoV-229E | Replicase polyprotein 1ab | -6.60 | -6.34 | N/A | N/A | N/A |
| Baloxavir marboxil | NSP9_HCoV-229E | Replicase polyprotein 1ab | -7.17 | -6.78 | N/A | N/A | N/A |
| Simeprevir | NSP9_HCoV-229E | Replicase polyprotein 1ab | -6.93 | -6.05 | N/A | N/A | N/A |
| Adefovir dipivoxil | NSP9_HCoV-229E | Replicase polyprotein 1ab | -5.59 | -5.59 | N/A | N/A | N/A |
| Bictegravir | PA_A-H17N10 | Polymerase acidic protein | -9.52 | N/A | N/A | N/A | N/A |
| Darunavir | PA_A-H17N10 | Polymerase acidic protein | -8.24 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | PA_A-H17N10 | Polymerase acidic protein | -9.42 | N/A | N/A | N/A | N/A |
| Simeprevir | PA_A-H17N10 | Polymerase acidic protein | -9.35 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | PA_A-H17N10 | Polymerase acidic protein | -6.64 | N/A | N/A | N/A | N/A |
| Bictegravir | PA_A-H1N1 | Polymerase acidic protein | -10.75 | -9.31 | -10.06 | N/A | N/A |
| Darunavir | PA_A-H1N1 | Polymerase acidic protein | -8.96 | -7.71 | -7.86 | N/A | N/A |
| Baloxavir marboxil | PA_A-H1N1 | Polymerase acidic protein | -9.14 | -8.92 | -8.64 | N/A | N/A |
| Simeprevir | PA_A-H1N1 | Polymerase acidic protein | -8.98 | -9.63 | -10.12 | N/A | N/A |
| Adefovir dipivoxil | PA_A-H1N1 | Polymerase acidic protein | -7.68 | -6.96 | -6.94 | N/A | N/A |
| Bictegravir | PA_A-H5N1 | Polymerase acidic protein | -10.31 | -10.27 | -10.01 | N/A | N/A |
| Darunavir | PA_A-H5N1 | Polymerase acidic protein | -7.77 | -7.56 | -7.85 | N/A | N/A |
| Baloxavir marboxil | PA_A-H5N1 | Polymerase acidic protein | -9.68 | -9.27 | -9.37 | N/A | N/A |
| Simeprevir | PA_A-H5N1 | Polymerase acidic protein | -10.31 | -9.84 | -10.35 | N/A | N/A |
| Adefovir dipivoxil | PA_A-H5N1 | Polymerase acidic protein | -6.92 | -6.82 | -6.90 | N/A | N/A |
| Bictegravir | PA_INFA | Polymerase acidic protein | -11.03 | -9.40 | -9.72 | 30.00% | CHEMBL2040578 |
| Darunavir | PA_INFA | Polymerase acidic protein | -8.61 | -7.10 | -7.84 | 28.70% | CHEMBL2040640 |
| Baloxavir marboxil | PA_INFA | Polymerase acidic protein | -8.72 | -8.79 | -9.05 | 26.71% | CHEMBL2040578 |
| Simeprevir | PA_INFA | Polymerase acidic protein | -10.09 | -9.25 | -9.77 | 32.87% | CHEMBL2040640 |
| Adefovir dipivoxil | PA_INFA | Polymerase acidic protein | -7.44 | -6.83 | -7.16 | 17.52% | CHEMBL2040578 |
| Bictegravir | PA_INFB | Polymerase acidic protein | -9.27 | N/A | N/A | N/A | N/A |
| Darunavir | PA_INFB | Polymerase acidic protein | -8.15 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | PA_INFB | Polymerase acidic protein | -8.34 | N/A | N/A | N/A | N/A |
| Simeprevir | PA_INFB | Polymerase acidic protein | -9.72 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | PA_INFB | Polymerase acidic protein | -6.86 | N/A | N/A | N/A | N/A |
| Bictegravir | PB2_A-H3N2 | Polymerase basic protein 2 | -9.42 | -10.01 | N/A | N/A | N/A |
| Darunavir | PB2_A-H3N2 | Polymerase basic protein 2 | -8.03 | -8.12 | N/A | N/A | N/A |
| Baloxavir marboxil | PB2_A-H3N2 | Polymerase basic protein 2 | -8.92 | -8.43 | N/A | N/A | N/A |
| Simeprevir | PB2_A-H3N2 | Polymerase basic protein 2 | -8.81 | -8.94 | N/A | N/A | N/A |
| Adefovir dipivoxil | PB2_A-H3N2 | Polymerase basic protein 2 | -6.70 | -6.25 | N/A | N/A | N/A |
| Bictegravir | PB2_A-H5N1 | Polymerase basic protein 2 | -7.99 | -9.45 | -9.20 | N/A | N/A |
| Darunavir | PB2_A-H5N1 | Polymerase basic protein 2 | -7.43 | -6.76 | -7.91 | N/A | N/A |
| Baloxavir marboxil | PB2_A-H5N1 | Polymerase basic protein 2 | -7.98 | -7.60 | -7.48 | N/A | N/A |
| Simeprevir | PB2_A-H5N1 | Polymerase basic protein 2 | -8.46 | -8.41 | -9.01 | N/A | N/A |
| Adefovir dipivoxil | PB2_A-H5N1 | Polymerase basic protein 2 | -5.98 | -6.04 | -6.05 | N/A | N/A |
| Bictegravir | PB2_INFB | Polymerase basic protein 2 | -9.64 | N/A | N/A | N/A | N/A |
| Darunavir | PB2_INFB | Polymerase basic protein 2 | -7.66 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | PB2_INFB | Polymerase basic protein 2 | -8.20 | N/A | N/A | N/A | N/A |
| Simeprevir | PB2_INFB | Polymerase basic protein 2 | -8.26 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | PB2_INFB | Polymerase basic protein 2 | -6.25 | N/A | N/A | N/A | N/A |
| Bictegravir | PB3_A-H3N2 | Polymerase basic protein 2 | -8.72 | N/A | N/A | N/A | N/A |
| Darunavir | PB3_A-H3N2 | Polymerase basic protein 2 | -7.76 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | PB3_A-H3N2 | Polymerase basic protein 2 | -8.29 | N/A | N/A | N/A | N/A |
| Simeprevir | PB3_A-H3N2 | Polymerase basic protein 2 | -8.68 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | PB3_A-H3N2 | Polymerase basic protein 2 | -6.16 | N/A | N/A | N/A | N/A |
| Bictegravir | PB4_A-H3N2 | Polymerase basic protein 2 | -9.98 | N/A | N/A | N/A | N/A |
| Darunavir | PB4_A-H3N2 | Polymerase basic protein 2 | -7.62 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | PB4_A-H3N2 | Polymerase basic protein 2 | -8.54 | N/A | N/A | N/A | N/A |
| Simeprevir | PB4_A-H3N2 | Polymerase basic protein 2 | -9.53 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | PB4_A-H3N2 | Polymerase basic protein 2 | -6.58 | N/A | N/A | N/A | N/A |
| Bictegravir | PLP_SARS | Replicase polyprotein 1a | -10.77 | -10.34 | -10.68 | 29.32% | CHEMBL213054 |
| Darunavir | PLP_SARS | Replicase polyprotein 1a | -8.69 | -9.03 | -9.68 | 28.77% | CHEMBL213054 |
| Baloxavir marboxil | PLP_SARS | Replicase polyprotein 1a | -7.18 | -7.24 | -9.43 | 22.13% | CHEMBL190743 |
| Simeprevir | PLP_SARS | Replicase polyprotein 1a | -9.56 | -10.25 | -10.54 | 30.10% | CHEMBL213543 |
| Adefovir dipivoxil | PLP_SARS | Replicase polyprotein 1a | -7.68 | -7.39 | -8.00 | 16.91% | CHEMBL213054 |
| Bictegravir | PR_FCoV | Replicase polyprotein 1ab | -9.64 | N/A | N/A | N/A | N/A |
| Darunavir | PR_FCoV | Replicase polyprotein 1ab | -8.23 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | PR_FCoV | Replicase polyprotein 1ab | -7.67 | N/A | N/A | N/A | N/A |
| Simeprevir | PR_FCoV | Replicase polyprotein 1ab | -7.85 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | PR_FCoV | Replicase polyprotein 1ab | -6.51 | N/A | N/A | N/A | N/A |
| Bictegravir | PR_HCoV-229E | Replicase polyprotein 1a | -9.47 | -8.63 | N/A | N/A | N/A |
| Darunavir | PR_HCoV-229E | Replicase polyprotein 1a | -7.20 | -6.83 | N/A | N/A | N/A |
| Baloxavir marboxil | PR_HCoV-229E | Replicase polyprotein 1a | -7.92 | -7.86 | N/A | N/A | N/A |
| Simeprevir | PR_HCoV-229E | Replicase polyprotein 1a | -7.63 | -7.94 | N/A | N/A | N/A |
| Adefovir dipivoxil | PR_HCoV-229E | Replicase polyprotein 1a | -6.92 | -6.46 | N/A | N/A | N/A |
| Bictegravir | PR_HCoV-NL63 | Replicase polyprotein 1a | -5.32 | -9.41 | N/A | N/A | N/A |
| Darunavir | PR_HCoV-NL63 | Replicase polyprotein 1a | -5.12 | -8.03 | N/A | N/A | N/A |
| Baloxavir marboxil | PR_HCoV-NL63 | Replicase polyprotein 1a | -4.81 | -7.95 | N/A | N/A | N/A |
| Simeprevir | PR_HCoV-NL63 | Replicase polyprotein 1a | -5.51 | -9.05 | N/A | N/A | N/A |
| Adefovir dipivoxil | PR_HCoV-NL63 | Replicase polyprotein 1a | -4.22 | -6.60 | N/A | N/A | N/A |
| Bictegravir | PR_HIV1 | Gag-Pol polyprotein | -8.39 | -8.43 | -7.97 | 25.83% | CHEMBL3645128 |
| Darunavir | PR_HIV1 | Gag-Pol polyprotein | -7.00 | -6.68 | -6.43 | 84.97% | CHEMBL467420 |
| Baloxavir marboxil | PR_HIV1 | Gag-Pol polyprotein | -7.50 | -7.10 | -7.30 | 22.29% | CHEMBL450294 |
| Simeprevir | PR_HIV1 | Gag-Pol polyprotein | -8.21 | -7.90 | -8.38 | 25.89% | CHEMBL492666 |
| Adefovir dipivoxil | PR_HIV1 | Gag-Pol polyprotein | -5.49 | -5.59 | -5.37 | 17.95% | CHEMBL3645129 |
| Bictegravir | PR_HIV2 | Gag-Pol polyprotein | -8.90 | -8.45 | N/A | N/A | N/A |
| Darunavir | PR_HIV2 | Gag-Pol polyprotein | -7.27 | -7.10 | N/A | N/A | N/A |
| Baloxavir marboxil | PR_HIV2 | Gag-Pol polyprotein | -8.08 | -6.61 | N/A | N/A | N/A |
| Simeprevir | PR_HIV2 | Gag-Pol polyprotein | -8.32 | -7.93 | N/A | N/A | N/A |
| Adefovir dipivoxil | PR_HIV2 | Gag-Pol polyprotein | -5.77 | -5.70 | N/A | N/A | N/A |
| Bictegravir | PR_HKU1 | Replicase polyprotein 1a | -8.52 | N/A | N/A | N/A | N/A |
| Darunavir | PR_HKU1 | Replicase polyprotein 1a | -7.42 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | PR_HKU1 | Replicase polyprotein 1a | -7.15 | N/A | N/A | N/A | N/A |
| Simeprevir | PR_HKU1 | Replicase polyprotein 1a | -6.51 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | PR_HKU1 | Replicase polyprotein 1a | -6.20 | N/A | N/A | N/A | N/A |
| Bictegravir | PR_HKU4 | Replicase polyprotein 1ab | -8.88 | -8.73 | -8.59 | N/A | N/A |
| Darunavir | PR_HKU4 | Replicase polyprotein 1ab | -7.86 | -6.98 | -7.63 | N/A | N/A |
| Baloxavir marboxil | PR_HKU4 | Replicase polyprotein 1ab | -8.01 | -6.76 | -7.67 | N/A | N/A |
| Simeprevir | PR_HKU4 | Replicase polyprotein 1ab | -8.21 | -7.93 | -7.63 | N/A | N/A |
| Adefovir dipivoxil | PR_HKU4 | Replicase polyprotein 1ab | -6.55 | -6.31 | -6.49 | N/A | N/A |
| Bictegravir | PR_IBV | Replicase polyprotein 1a | -9.50 | N/A | N/A | N/A | N/A |
| Darunavir | PR_IBV | Replicase polyprotein 1a | -6.68 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | PR_IBV | Replicase polyprotein 1a | -7.08 | N/A | N/A | N/A | N/A |
| Simeprevir | PR_IBV | Replicase polyprotein 1a | -8.24 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | PR_IBV | Replicase polyprotein 1a | -6.51 | N/A | N/A | N/A | N/A |
| Bictegravir | PR_MERs | 3C-like proteinase | -8.92 | -9.59 | N/A | N/A | N/A |
| Darunavir | PR_MERs | 3C-like proteinase | -7.87 | -7.30 | N/A | N/A | N/A |
| Baloxavir marboxil | PR_MERs | 3C-like proteinase | -7.42 | -7.69 | N/A | N/A | N/A |
| Simeprevir | PR_MERs | 3C-like proteinase | -8.75 | -8.06 | N/A | N/A | N/A |
| Adefovir dipivoxil | PR_MERs | 3C-like proteinase | -6.46 | -6.69 | N/A | N/A | N/A |
| Bictegravir | PR_PEDV | 3C-like proteinase | -9.08 | N/A | N/A | N/A | N/A |
| Darunavir | PR_PEDV | 3C-like proteinase | -7.86 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | PR_PEDV | 3C-like proteinase | -8.90 | N/A | N/A | N/A | N/A |
| Simeprevir | PR_PEDV | 3C-like proteinase | -8.00 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | PR_PEDV | 3C-like proteinase | -6.51 | N/A | N/A | N/A | N/A |
| Bictegravir | PR_SARS | Replicase polyprotein 1ab | -9.79 | -8.65 | -8.88 | 24.29% | CHEMBL2441745 |
| Darunavir | PR_SARS | Replicase polyprotein 1ab | -7.49 | -7.15 | -7.57 | 34.91% | CHEMBL2441745 |
| Baloxavir marboxil | PR_SARS | Replicase polyprotein 1ab | -7.66 | -7.85 | -7.10 | 20.36% | CHEMBL3105073 |
| Simeprevir | PR_SARS | Replicase polyprotein 1ab | -7.99 | -7.90 | -8.72 | 25.42% | CHEMBL2441745 |
| Adefovir dipivoxil | PR_SARS | Replicase polyprotein 1ab | -6.49 | -6.80 | -6.35 | 15.05% | CHEMBL2441741 |
| Bictegravir | PR_SARS2 | 3C-like protease | -9.47 | N/A | N/A | N/A | N/A |
| Darunavir | PR_SARS2 | 3C-like protease | -7.71 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | PR_SARS2 | 3C-like protease | -7.17 | N/A | N/A | N/A | N/A |
| Simeprevir | PR_SARS2 | 3C-like protease | -7.47 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | PR_SARS2 | 3C-like protease | -6.74 | N/A | N/A | N/A | N/A |
| Bictegravir | PR_TGEV | Replicase polyprotein 1a | -8.53 | N/A | N/A | N/A | N/A |
| Darunavir | PR_TGEV | Replicase polyprotein 1a | -7.53 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | PR_TGEV | Replicase polyprotein 1a | -7.65 | N/A | N/A | N/A | N/A |
| Simeprevir | PR_TGEV | Replicase polyprotein 1a | -8.75 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | PR_TGEV | Replicase polyprotein 1a | -6.32 | N/A | N/A | N/A | N/A |
| Bictegravir | RT_HIV1 | Gag-Pol polyprotein | -11.02 | -11.90 | -10.85 | 30.95% | CHEMBL4109767 |
| Darunavir | RT_HIV1 | Gag-Pol polyprotein | -9.41 | -8.97 | -9.72 | 55.50% | CHEMBL3683710 |
| Baloxavir marboxil | RT_HIV1 | Gag-Pol polyprotein | -7.26 | -6.55 | -5.75 | 31.09% | CHEMBL4108135 |
| Simeprevir | RT_HIV1 | Gag-Pol polyprotein | -9.12 | -7.38 | -8.15 | 37.08% | CHEMBL3683705 |
| Adefovir dipivoxil | RT_HIV1 | Gag-Pol polyprotein | -7.10 | -7.96 | -7.41 | 25.38% | CHEMBL4288759 |
| Bictegravir | SPIKE_HCoV-229E | Spike glycoprotein | -6.23 | N/A | N/A | N/A | N/A |
| Darunavir | SPIKE_HCoV-229E | Spike glycoprotein | -5.23 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | SPIKE_HCoV-229E | Spike glycoprotein | -5.75 | N/A | N/A | N/A | N/A |
| Simeprevir | SPIKE_HCoV-229E | Spike glycoprotein | -6.99 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | SPIKE_HCoV-229E | Spike glycoprotein | -4.80 | N/A | N/A | N/A | N/A |
| Bictegravir | SPIKE_HCoV-NL63 | Spike glycoprotein | -7.50 | N/A | N/A | N/A | N/A |
| Darunavir | SPIKE_HCoV-NL63 | Spike glycoprotein | -5.77 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | SPIKE_HCoV-NL63 | Spike glycoprotein | -6.31 | N/A | N/A | N/A | N/A |
| Simeprevir | SPIKE_HCoV-NL63 | Spike glycoprotein | -7.88 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | SPIKE_HCoV-NL63 | Spike glycoprotein | -5.05 | N/A | N/A | N/A | N/A |
| Bictegravir | SPIKE_HCoV-OC43 | Spike glycoprotein | -7.77 | N/A | N/A | N/A | N/A |
| Darunavir | SPIKE_HCoV-OC43 | Spike glycoprotein | -6.74 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | SPIKE_HCoV-OC43 | Spike glycoprotein | -7.32 | N/A | N/A | N/A | N/A |
| Simeprevir | SPIKE_HCoV-OC43 | Spike glycoprotein | -8.58 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | SPIKE_HCoV-OC43 | Spike glycoprotein | -5.85 | N/A | N/A | N/A | N/A |
| Bictegravir | SPIKE_HKU4 | Spike glycoprotein | -8.33 | N/A | N/A | N/A | N/A |
| Darunavir | SPIKE_HKU4 | Spike glycoprotein | -6.46 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | SPIKE_HKU4 | Spike glycoprotein | -8.36 | N/A | N/A | N/A | N/A |
| Simeprevir | SPIKE_HKU4 | Spike glycoprotein | -8.69 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | SPIKE_HKU4 | Spike glycoprotein | -6.08 | N/A | N/A | N/A | N/A |
| Bictegravir | SPIKE_IBV | Spike glycoprotein | -7.76 | N/A | N/A | N/A | N/A |
| Darunavir | SPIKE_IBV | Spike glycoprotein | -5.64 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | SPIKE_IBV | Spike glycoprotein | -6.30 | N/A | N/A | N/A | N/A |
| Simeprevir | SPIKE_IBV | Spike glycoprotein | -7.07 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | SPIKE_IBV | Spike glycoprotein | -5.80 | N/A | N/A | N/A | N/A |
| Bictegravir | SPIKE_MERs | Spike glycoprotein | -8.52 | -7.63 | -7.41 | N/A | N/A |
| Darunavir | SPIKE_MERs | Spike glycoprotein | -7.21 | -7.05 | -5.17 | N/A | N/A |
| Baloxavir marboxil | SPIKE_MERs | Spike glycoprotein | -7.65 | -7.21 | -6.64 | N/A | N/A |
| Simeprevir | SPIKE_MERs | Spike glycoprotein | -8.15 | -8.10 | -7.01 | N/A | N/A |
| Adefovir dipivoxil | SPIKE_MERs | Spike glycoprotein | -5.82 | -5.57 | -5.07 | N/A | N/A |
| Bictegravir | SPIKE_MHV | Spike glycoprotein | -8.99 | N/A | N/A | N/A | N/A |
| Darunavir | SPIKE_MHV | Spike glycoprotein | -7.18 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | SPIKE_MHV | Spike glycoprotein | -8.23 | N/A | N/A | N/A | N/A |
| Simeprevir | SPIKE_MHV | Spike glycoprotein | -8.63 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | SPIKE_MHV | Spike glycoprotein | -6.15 | N/A | N/A | N/A | N/A |
| Bictegravir | SPIKE_PDCoV | Spike protein | -8.15 | N/A | N/A | N/A | N/A |
| Darunavir | SPIKE_PDCoV | Spike protein | -6.47 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | SPIKE_PDCoV | Spike protein | -6.77 | N/A | N/A | N/A | N/A |
| Simeprevir | SPIKE_PDCoV | Spike protein | -8.07 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | SPIKE_PDCoV | Spike protein | -5.72 | N/A | N/A | N/A | N/A |
| Bictegravir | SPIKE_SARS | Spike glycoprotein | -7.85 | -7.69 | N/A | N/A | N/A |
| Darunavir | SPIKE_SARS | Spike glycoprotein | -6.01 | -6.39 | N/A | N/A | N/A |
| Baloxavir marboxil | SPIKE_SARS | Spike glycoprotein | -6.83 | -6.93 | N/A | N/A | N/A |
| Simeprevir | SPIKE_SARS | Spike glycoprotein | -7.60 | -7.20 | N/A | N/A | N/A |
| Adefovir dipivoxil | SPIKE_SARS | Spike glycoprotein | -5.16 | -5.81 | N/A | N/A | N/A |
| Bictegravir | SPIKE_SARS2 | Spike glycoprotein | -7.23 | N/A | N/A | N/A | N/A |
| Darunavir | SPIKE_SARS2 | Spike glycoprotein | -4.98 | N/A | N/A | N/A | N/A |
| Baloxavir marboxil | SPIKE_SARS2 | Spike glycoprotein | -6.60 | N/A | N/A | N/A | N/A |
| Simeprevir | SPIKE_SARS2 | Spike glycoprotein | -7.56 | N/A | N/A | N/A | N/A |
| Adefovir dipivoxil | SPIKE_SARS2 | Spike glycoprotein | -5.50 | N/A | N/A | N/A | N/A |