| Ligand | Protein Symbol | Approved Name | Docking Scores |
Similarity Score |
Best Match | ||
|---|---|---|---|---|---|---|---|
| Model 1 | Model 2 | Model 3 | |||||
| Remdesivir | 2A_HE71 | Genome polyprotein | -7.26 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | 2A_HE71 | Genome polyprotein | -7.69 | N/A | N/A | N/A | N/A |
| Remdesivir | 2A_HE71M | Genome polyprotein | -7.13 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | 2A_HE71M | Genome polyprotein | -7.39 | N/A | N/A | N/A | N/A |
| Remdesivir | 2C_HE71 | Genome polyprotein | -5.95 | -6.49 | N/A | N/A | N/A |
| Remdesivir triphosphate | 2C_HE71 | Genome polyprotein | -5.54 | -6.54 | N/A | N/A | N/A |
| Remdesivir | 3A_9ENTO | Genome polyprotein | -6.09 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | 3A_9ENTO | Genome polyprotein | -5.00 | N/A | N/A | N/A | N/A |
| Remdesivir | 3A_HE71M | Genome polyprotein | -6.14 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | 3A_HE71M | Genome polyprotein | -4.54 | N/A | N/A | N/A | N/A |
| Remdesivir | 3A_HED68 | Genome polyprotein | -6.24 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | 3A_HED68 | Genome polyprotein | -5.14 | N/A | N/A | N/A | N/A |
| Remdesivir | 3C_HE71 | Genome polyprotein | -6.90 | -7.18 | N/A | N/A | N/A |
| Remdesivir triphosphate | 3C_HE71 | Genome polyprotein | -5.91 | -5.52 | N/A | N/A | N/A |
| Remdesivir | 3C_HED68 | Genome polyprotein | -6.47 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | 3C_HED68 | Genome polyprotein | -5.33 | N/A | N/A | N/A | N/A |
| Remdesivir | 3D_HE71 | Genome polyprotein | -7.15 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | 3D_HE71 | Genome polyprotein | -7.46 | N/A | N/A | N/A | N/A |
| Remdesivir | 3D_HED68 | Genome polyprotein | -8.34 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | 3D_HED68 | Genome polyprotein | -7.81 | N/A | N/A | N/A | N/A |
| Remdesivir | ACE2_HUMAN | angiotensin converting enzyme 2 | -10.02 | N/A | N/A | 27.45% | CHEMBL436639 |
| Remdesivir triphosphate | ACE2_HUMAN | angiotensin converting enzyme 2 | -8.95 | N/A | N/A | 27.93% | CHEMBL436639 |
| Remdesivir | CAPSD_9CALI | Capsid protein | -8.26 | -7.28 | -8.37 | N/A | N/A |
| Remdesivir triphosphate | CAPSD_9CALI | Capsid protein | -7.07 | -6.35 | -7.51 | N/A | N/A |
| Remdesivir | CAPSD_9ENTO | Genome polyprotein | -6.99 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | CAPSD_9ENTO | Genome polyprotein | -9.50 | N/A | N/A | N/A | N/A |
| Remdesivir | CAPSD_DEN2P | Genome polyprotein | -6.26 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | CAPSD_DEN2P | Genome polyprotein | -5.46 | N/A | N/A | N/A | N/A |
| Remdesivir | CAPSD_HCV77 | Genome polyprotein | -4.99 | N/A | N/A | 50.17% | CHEMBL3696815 |
| Remdesivir triphosphate | CAPSD_HCV77 | Genome polyprotein | -4.07 | N/A | N/A | 33.85% | CHEMBL3696819 |
| Remdesivir | CAPSD_HED68 | Capsid protein VP0 | -8.63 | -10.15 | N/A | N/A | N/A |
| Remdesivir triphosphate | CAPSD_HED68 | Capsid protein VP0 | -7.29 | -7.59 | N/A | N/A | N/A |
| Remdesivir | CAPSD_ZIKV | Core protein | -6.52 | -5.77 | N/A | N/A | N/A |
| Remdesivir triphosphate | CAPSD_ZIKV | Core protein | -4.97 | -5.42 | N/A | N/A | N/A |
| Remdesivir | DPM_HHV1K | DNA polymerase catalytic subunit | ? | N/A | N/A | ? | ? |
| Remdesivir triphosphate | DPM_HHV1K | DNA polymerase catalytic subunit | -6.63 | N/A | N/A | 22.85% | CHEMBL479371 |
| Remdesivir | E1_9HEPC | Envelope glycoprotein E1 | -5.46 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | E1_9HEPC | Envelope glycoprotein E1 | -4.32 | N/A | N/A | N/A | N/A |
| Remdesivir | E1_HCV77 | Genome polyprotein | -4.23 | N/A | N/A | 50.17% | CHEMBL3696815 |
| Remdesivir triphosphate | E1_HCV77 | Genome polyprotein | -3.14 | N/A | N/A | 33.85% | CHEMBL3696819 |
| Remdesivir | E1_HCVJ1 | Genome polyprotein | -4.51 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | E1_HCVJ1 | Genome polyprotein | -4.40 | N/A | N/A | N/A | N/A |
| Remdesivir | E2_9HEPC | Core protein precursor | -8.06 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | E2_9HEPC | Core protein precursor | -6.47 | N/A | N/A | N/A | N/A |
| Remdesivir | E2_HCV77 | Genome polyprotein | -5.74 | N/A | N/A | 50.17% | CHEMBL3696815 |
| Remdesivir triphosphate | E2_HCV77 | Genome polyprotein | -5.45 | N/A | N/A | 33.85% | CHEMBL3696819 |
| Remdesivir | ENV_9FLAV | Envelope protein E | -4.85 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | ENV_9FLAV | Envelope protein E | -5.71 | N/A | N/A | N/A | N/A |
| Remdesivir | ENV_DEN1B | Genome polyprotein | -5.08 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | ENV_DEN1B | Genome polyprotein | -3.94 | N/A | N/A | N/A | N/A |
| Remdesivir | ENV_DEN2P | Genome polyprotein | -6.40 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | ENV_DEN2P | Genome polyprotein | -6.30 | N/A | N/A | N/A | N/A |
| Remdesivir | ENV_DEN3P | Genome polyprotein | -5.67 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | ENV_DEN3P | Genome polyprotein | -4.63 | N/A | N/A | N/A | N/A |
| Remdesivir | ENV_HHV2H | Envelope glycoprotein H | -7.04 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | ENV_HHV2H | Envelope glycoprotein H | -6.63 | N/A | N/A | N/A | N/A |
| Remdesivir | ENV_ZIKV | Core protein | -6.78 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | ENV_ZIKV | Core protein | -5.63 | N/A | N/A | N/A | N/A |
| Remdesivir | ENV_ZIKVK | Genome polyprotein | -6.82 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | ENV_ZIKVK | Genome polyprotein | -5.60 | N/A | N/A | N/A | N/A |
| Remdesivir | G1_ADNV | Envelope polyprotein | -3.98 | -6.17 | -6.07 | N/A | N/A |
| Remdesivir triphosphate | G1_ADNV | Envelope polyprotein | -3.56 | -6.38 | -6.13 | N/A | N/A |
| Remdesivir | G2_ADNV | Envelope polyprotein | -7.83 | -7.59 | -5.96 | N/A | N/A |
| Remdesivir triphosphate | G2_ADNV | Envelope polyprotein | -8.36 | -7.25 | -6.51 | N/A | N/A |
| Remdesivir | GB_HHV11 | Envelope glycoprotein B | -7.01 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | GB_HHV11 | Envelope glycoprotein B | -7.04 | N/A | N/A | N/A | N/A |
| Remdesivir | GB_HHV1K | Envelope glycoprotein B | -6.91 | -6.93 | N/A | N/A | N/A |
| Remdesivir triphosphate | GB_HHV1K | Envelope glycoprotein B | -6.20 | -7.46 | N/A | N/A | N/A |
| Remdesivir | GD_9ALPH | Glycoprotein D | -6.99 | -6.43 | N/A | N/A | N/A |
| Remdesivir triphosphate | GD_9ALPH | Glycoprotein D | -6.24 | -5.20 | N/A | N/A | N/A |
| Remdesivir | GD_HHV1 | Glycoprotein D | -6.60 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | GD_HHV1 | Glycoprotein D | -5.08 | N/A | N/A | N/A | N/A |
| Remdesivir | GP160_HIV1 | Envelope glycoprotein gp160 | -7.99 | -7.22 | -7.75 | N/A | N/A |
| Remdesivir triphosphate | GP160_HIV1 | Envelope glycoprotein gp160 | -7.10 | -6.20 | -5.63 | N/A | N/A |
| Remdesivir | GP160_HIV2 | Envelope glycoprotein gp160 | -6.38 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | GP160_HIV2 | Envelope glycoprotein gp160 | -6.33 | N/A | N/A | N/A | N/A |
| Remdesivir | GP_EBOV | Envelope glycoprotein | -7.67 | -6.99 | -7.59 | 26.79% | CHEMBL3125895 |
| Remdesivir triphosphate | GP_EBOV | Envelope glycoprotein | -7.00 | -5.47 | -6.51 | 26.09% | CHEMBL3125895 |
| Remdesivir | GP_LASSJ | Pre-glycoprotein polyprotein GP complex | -6.38 | -6.03 | N/A | N/A | N/A |
| Remdesivir triphosphate | GP_LASSJ | Pre-glycoprotein polyprotein GP complex | -6.26 | -6.80 | N/A | N/A | N/A |
| Remdesivir | HA_A-H10N7 | Hemagglutinin | -6.90 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | HA_A-H10N7 | Hemagglutinin | -5.95 | N/A | N/A | N/A | N/A |
| Remdesivir | HA_A-H10N8 | Hemagglutinin | -6.88 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | HA_A-H10N8 | Hemagglutinin | -6.33 | N/A | N/A | N/A | N/A |
| Remdesivir | HA_A-H13N6 | Hemagglutinin | -6.56 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | HA_A-H13N6 | Hemagglutinin | -6.57 | N/A | N/A | N/A | N/A |
| Remdesivir | HA_A-H14N6 | Hemagglutinin | -5.77 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | HA_A-H14N6 | Hemagglutinin | -5.57 | N/A | N/A | N/A | N/A |
| Remdesivir | HA_A-H15N9 | Hemagglutinin | -6.63 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | HA_A-H15N9 | Hemagglutinin | -6.44 | N/A | N/A | N/A | N/A |
| Remdesivir | HA_A-H17N10 | Hemagglutinin | -6.54 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | HA_A-H17N10 | Hemagglutinin | -6.43 | N/A | N/A | N/A | N/A |
| Remdesivir | HA_A-H18N11 | Hemagglutinin | -5.75 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | HA_A-H18N11 | Hemagglutinin | -5.69 | N/A | N/A | N/A | N/A |
| Remdesivir | HA_A-H1N1 | Hemagglutinin | -6.35 | -6.53 | N/A | N/A | N/A |
| Remdesivir triphosphate | HA_A-H1N1 | Hemagglutinin | -6.05 | -6.13 | N/A | N/A | N/A |
| Remdesivir | HA_A-H2N2 | Hemagglutinin | -6.26 | -5.57 | N/A | N/A | N/A |
| Remdesivir triphosphate | HA_A-H2N2 | Hemagglutinin | -6.15 | -5.90 | N/A | N/A | N/A |
| Remdesivir | HA_A-H3N2 | Hemagglutinin | -6.45 | -6.44 | -6.44 | N/A | N/A |
| Remdesivir triphosphate | HA_A-H3N2 | Hemagglutinin | -5.98 | -6.06 | -5.84 | N/A | N/A |
| Remdesivir | HA_A-H3N8 | Hemagglutinin | -5.89 | -6.13 | -6.42 | N/A | N/A |
| Remdesivir triphosphate | HA_A-H3N8 | Hemagglutinin | -5.92 | -6.46 | -6.03 | N/A | N/A |
| Remdesivir | HA_A-H5N1 | Hemagglutinin | -6.58 | -6.27 | -7.41 | N/A | N/A |
| Remdesivir triphosphate | HA_A-H5N1 | Hemagglutinin | -6.10 | -6.88 | -6.85 | N/A | N/A |
| Remdesivir | HA_A-H5N3 | Hemagglutinin | -6.27 | -7.22 | N/A | N/A | N/A |
| Remdesivir triphosphate | HA_A-H5N3 | Hemagglutinin | -6.32 | -6.62 | N/A | N/A | N/A |
| Remdesivir | HA_A-H6N1 | Hemagglutinin | -6.88 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | HA_A-H6N1 | Hemagglutinin | -6.33 | N/A | N/A | N/A | N/A |
| Remdesivir | HA_A-H6N6 | Hemagglutinin | -6.40 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | HA_A-H6N6 | Hemagglutinin | -5.95 | N/A | N/A | N/A | N/A |
| Remdesivir | HA_A-H7N2 | Hemagglutinin | -6.23 | -5.84 | -6.41 | N/A | N/A |
| Remdesivir triphosphate | HA_A-H7N2 | Hemagglutinin | -6.71 | -5.65 | -6.15 | N/A | N/A |
| Remdesivir | HA_A-H7N7 | Hemagglutinin | -6.41 | -7.07 | N/A | N/A | N/A |
| Remdesivir triphosphate | HA_A-H7N7 | Hemagglutinin | -5.62 | -6.35 | N/A | N/A | N/A |
| Remdesivir | HA_A-H7N9 | Hemagglutinin | -6.60 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | HA_A-H7N9 | Hemagglutinin | -6.10 | N/A | N/A | N/A | N/A |
| Remdesivir | HA_INFB | Hemagglutinin | -6.59 | -6.13 | N/A | N/A | N/A |
| Remdesivir triphosphate | HA_INFB | Hemagglutinin | -6.10 | -6.13 | N/A | N/A | N/A |
| Remdesivir | HA_INFD | Hemagglutinin-esterase-fusion glycoprotein | -6.43 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | HA_INFD | Hemagglutinin-esterase-fusion glycoprotein | -5.38 | N/A | N/A | N/A | N/A |
| Remdesivir | HE_BCV | Hemagglutinin-esterase | -6.43 | -6.95 | N/A | N/A | N/A |
| Remdesivir triphosphate | HE_BCV | Hemagglutinin-esterase | -6.61 | -6.21 | N/A | N/A | N/A |
| Remdesivir | HE_HCoV-OC43 | Hemagglutinin-esterase | -6.46 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | HE_HCoV-OC43 | Hemagglutinin-esterase | -5.32 | N/A | N/A | N/A | N/A |
| Remdesivir | HE_MHV | Hemagglutinin-esterase | -6.26 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | HE_MHV | Hemagglutinin-esterase | -5.22 | N/A | N/A | N/A | N/A |
| Remdesivir | IN_HIV1 | Gag-Pol polyprotein | -5.31 | -5.43 | N/A | N/A | N/A |
| Remdesivir triphosphate | IN_HIV1 | Gag-Pol polyprotein | -4.05 | -4.67 | N/A | N/A | N/A |
| Remdesivir | MD_HKU4 | Replicase polyprotein 1ab | -7.61 | -7.93 | -8.30 | N/A | N/A |
| Remdesivir triphosphate | MD_HKU4 | Replicase polyprotein 1ab | -8.67 | -8.08 | -7.88 | N/A | N/A |
| Remdesivir | MD_MERs | Replicase polyprotein 1a | -9.01 | -8.59 | N/A | N/A | N/A |
| Remdesivir triphosphate | MD_MERs | Replicase polyprotein 1a | -8.65 | -7.46 | N/A | N/A | N/A |
| Remdesivir | MEM_9FLAV | Core protein | -5.54 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | MEM_9FLAV | Core protein | -4.78 | N/A | N/A | N/A | N/A |
| Remdesivir | MTASE_SARS2 | Methyltransferase | -6.72 | N/A | N/A | N/A | N/A |
| Remdesivir | MTASE_SARS2 | Methyltransferase | -7.28 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | MTASE_SARS2 | Methyltransferase | -6.36 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | MTASE_SARS2 | Methyltransferase | -6.37 | N/A | N/A | N/A | N/A |
| Remdesivir | MX2_A-H5N1 | Matrix protein 2 | -2.22 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | MX2_A-H5N1 | Matrix protein 2 | -7.30 | N/A | N/A | N/A | N/A |
| Remdesivir | MX_9MONO | Matrix protein VP40 | -9.03 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | MX_9MONO | Matrix protein VP40 | -7.87 | N/A | N/A | N/A | N/A |
| Remdesivir | MX_LASSJ | RING finger protein Z | -5.51 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | MX_LASSJ | RING finger protein Z | -4.67 | N/A | N/A | N/A | N/A |
| Remdesivir | NA_A-H11N6 | Neuraminidase | -7.80 | -8.80 | -8.05 | N/A | N/A |
| Remdesivir triphosphate | NA_A-H11N6 | Neuraminidase | -8.21 | -8.08 | -7.24 | N/A | N/A |
| Remdesivir | NA_A-H11N9 | Neuraminidase | -6.30 | -7.56 | -8.99 | N/A | N/A |
| Remdesivir triphosphate | NA_A-H11N9 | Neuraminidase | -6.37 | -7.56 | -7.83 | N/A | N/A |
| Remdesivir | NA_A-H12N5 | Neuraminidase | -8.29 | -8.18 | -7.53 | N/A | N/A |
| Remdesivir triphosphate | NA_A-H12N5 | Neuraminidase | -8.19 | -8.81 | -7.80 | N/A | N/A |
| Remdesivir | NA_A-H13N9 | Neuraminidase | -6.12 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | NA_A-H13N9 | Neuraminidase | -5.69 | N/A | N/A | N/A | N/A |
| Remdesivir | NA_A-H17N10 | Neuraminidase | -7.41 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | NA_A-H17N10 | Neuraminidase | -6.56 | N/A | N/A | N/A | N/A |
| Remdesivir | NA_A-H18N11 | Neuraminidase | -7.00 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | NA_A-H18N11 | Neuraminidase | -6.40 | N/A | N/A | N/A | N/A |
| Remdesivir | NA_A-H1N1 | Neuraminidase | -8.98 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | NA_A-H1N1 | Neuraminidase | -8.04 | N/A | N/A | N/A | N/A |
| Remdesivir | NA_A-H2N2 | Neuraminidase | -7.56 | -8.14 | -7.25 | N/A | N/A |
| Remdesivir triphosphate | NA_A-H2N2 | Neuraminidase | -7.91 | -8.79 | -7.92 | N/A | N/A |
| Remdesivir | NA_A-H3N2 | Ig heavy chain Mem5 | -7.79 | -7.78 | N/A | N/A | N/A |
| Remdesivir triphosphate | NA_A-H3N2 | Ig heavy chain Mem5 | -7.33 | -7.42 | N/A | N/A | N/A |
| Remdesivir | NA_A-H3N8 | Neuraminidase | -7.99 | -7.73 | -8.58 | 19.35% | CHEMBL4278505 |
| Remdesivir triphosphate | NA_A-H3N8 | Neuraminidase | -8.24 | -8.39 | -8.24 | 17.22% | CHEMBL4285767 |
| Remdesivir | NA_A-H5N1 | Neuraminidase | -8.59 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | NA_A-H5N1 | Neuraminidase | -8.32 | N/A | N/A | N/A | N/A |
| Remdesivir | NA_A-H7N9 | Neuraminidase | -8.90 | -7.99 | -8.66 | N/A | N/A |
| Remdesivir triphosphate | NA_A-H7N9 | Neuraminidase | -6.79 | -7.81 | -8.10 | N/A | N/A |
| Remdesivir | NA_INFB | Neuraminidase | -8.03 | -8.14 | N/A | 21.22% | CHEMBL362993 |
| Remdesivir triphosphate | NA_INFB | Neuraminidase | -8.66 | -7.47 | N/A | 22.34% | CHEMBL362993 |
| Remdesivir | NP_9ADNV | Nucleoprotein | -5.41 | -7.55 | N/A | N/A | N/A |
| Remdesivir triphosphate | NP_9ADNV | Nucleoprotein | -4.13 | -7.58 | N/A | N/A | N/A |
| Remdesivir | NP_A-H1N1 | Nucleoprotein | -5.67 | -6.69 | -6.76 | N/A | N/A |
| Remdesivir triphosphate | NP_A-H1N1 | Nucleoprotein | -5.50 | -6.11 | -6.13 | N/A | N/A |
| Remdesivir | NP_A-H5N1 | Nucleoprotein | -5.95 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | NP_A-H5N1 | Nucleoprotein | -6.15 | N/A | N/A | N/A | N/A |
| Remdesivir | NP_EBOZM | Nucleoprotein | -6.79 | -7.21 | -6.15 | N/A | N/A |
| Remdesivir triphosphate | NP_EBOZM | Nucleoprotein | -5.20 | -6.42 | -5.86 | N/A | N/A |
| Remdesivir | NP_HCoV-NL63 | Nucleoprotein | -6.78 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | NP_HCoV-NL63 | Nucleoprotein | -6.18 | N/A | N/A | N/A | N/A |
| Remdesivir | NP_HCoV-OC43 | Nucleoprotein | -7.65 | -7.15 | -7.01 | 11.03% | CHEMBL3233481 |
| Remdesivir triphosphate | NP_HCoV-OC43 | Nucleoprotein | -7.18 | -6.49 | -6.71 | 11.60% | CHEMBL3233481 |
| Remdesivir | NP_INFB | Nucleoprotein | -5.79 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | NP_INFB | Nucleoprotein | -5.59 | N/A | N/A | N/A | N/A |
| Remdesivir | NP_INFD | NP | -5.52 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | NP_INFD | NP | -4.84 | N/A | N/A | N/A | N/A |
| Remdesivir | NP_LASSJ | Nucleoprotein | -9.60 | -9.98 | -5.28 | N/A | N/A |
| Remdesivir triphosphate | NP_LASSJ | Nucleoprotein | -8.69 | -8.71 | -4.12 | N/A | N/A |
| Remdesivir | NP_SARS | Nucleoprotein | -7.18 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | NP_SARS | Nucleoprotein | -6.34 | N/A | N/A | N/A | N/A |
| Remdesivir | NS1_9CALI | NTPase | -5.89 | -5.32 | -6.57 | N/A | N/A |
| Remdesivir triphosphate | NS1_9CALI | NTPase | -5.40 | -5.14 | -5.17 | N/A | N/A |
| Remdesivir | NS1_9FLAV | Non-structural protein 1 | -5.47 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | NS1_9FLAV | Non-structural protein 1 | -4.96 | N/A | N/A | N/A | N/A |
| Remdesivir | NS1_DEN1W | Genome polyprotein | -5.18 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | NS1_DEN1W | Genome polyprotein | -5.42 | N/A | N/A | N/A | N/A |
| Remdesivir | NS1_ZIKV | Core protein | 3.69 | -6.78 | -7.61 | N/A | N/A |
| Remdesivir triphosphate | NS1_ZIKV | Core protein | -2.70 | -6.63 | -6.34 | N/A | N/A |
| Remdesivir | NS2A_9FLAV | Core protein | -4.31 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | NS2A_9FLAV | Core protein | -3.97 | N/A | N/A | N/A | N/A |
| Remdesivir | NS2B_DEN1W | Genome polyprotein | -6.84 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | NS2B_DEN1W | Genome polyprotein | -6.35 | N/A | N/A | N/A | N/A |
| Remdesivir | NS2B_DEN2P | Genome polyprotein | -7.07 | -7.33 | N/A | N/A | N/A |
| Remdesivir triphosphate | NS2B_DEN2P | Genome polyprotein | -6.56 | -7.78 | N/A | N/A | N/A |
| Remdesivir | NS2B_ZIKV | Genome polyprotein | -7.50 | -7.54 | N/A | N/A | N/A |
| Remdesivir triphosphate | NS2B_ZIKV | Genome polyprotein | -6.69 | -6.37 | N/A | N/A | N/A |
| Remdesivir | NS2B_ZIKVF | Genome polyprotein | -7.26 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | NS2B_ZIKVF | Genome polyprotein | -6.78 | N/A | N/A | N/A | N/A |
| Remdesivir | NS3_9FLAV | Core protein | -8.76 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | NS3_9FLAV | Core protein | -7.43 | N/A | N/A | N/A | N/A |
| Remdesivir | NS3_DEN4T | Genome polyprotein | -8.44 | -8.49 | N/A | N/A | N/A |
| Remdesivir triphosphate | NS3_DEN4T | Genome polyprotein | -8.57 | -7.23 | N/A | N/A | N/A |
| Remdesivir | NS3_HCV1A | Genome polyprotein | -6.20 | -6.39 | -6.70 | 50.17% | CHEMBL3696815 |
| Remdesivir triphosphate | NS3_HCV1A | Genome polyprotein | -7.74 | -6.11 | -7.54 | 33.85% | CHEMBL3696819 |
| Remdesivir | NS3_HCV1B | Genome polyprotein | -6.96 | -6.70 | -5.16 | 23.98% | CHEMBL297884 |
| Remdesivir triphosphate | NS3_HCV1B | Genome polyprotein | -6.20 | -6.81 | -6.04 | 24.74% | CHEMBL297884 |
| Remdesivir | NS3_HCV3A | Genome polyprotein | -6.71 | -7.06 | -7.04 | N/A | N/A |
| Remdesivir triphosphate | NS3_HCV3A | Genome polyprotein | -6.65 | -6.21 | -6.35 | N/A | N/A |
| Remdesivir | NS3_ZIKV | Genome polyprotein | -8.67 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | NS3_ZIKV | Genome polyprotein | -8.07 | N/A | N/A | N/A | N/A |
| Remdesivir | NS5B_HCV1A | Genome polyprotein | -8.15 | -9.00 | -8.88 | 26.36% | CHEMBL353549 |
| Remdesivir triphosphate | NS5B_HCV1A | Genome polyprotein | -7.71 | -8.02 | -8.00 | 27.56% | CHEMBL353549 |
| Remdesivir | NS5B_HCV1B | Genome polyprotein | -8.18 | -8.08 | -7.92 | 67.51% | CHEMBL4111989 |
| Remdesivir triphosphate | NS5B_HCV1B | Genome polyprotein | -6.90 | -6.81 | -6.27 | 92.24% | CHEMBL4111989 |
| Remdesivir | NS5B_HCV2A | Genome polyprotein | -9.42 | -9.48 | N/A | 20.97% | CHEMBL4203791 |
| Remdesivir triphosphate | NS5B_HCV2A | Genome polyprotein | -8.21 | -7.82 | N/A | 21.66% | CHEMBL3127326 |
| Remdesivir | NS5_9FLAV | Core protein | -7.96 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | NS5_9FLAV | Core protein | -7.52 | N/A | N/A | N/A | N/A |
| Remdesivir | NS5_DEN3S | Genome polyprotein | -8.05 | -8.40 | N/A | N/A | N/A |
| Remdesivir triphosphate | NS5_DEN3S | Genome polyprotein | -7.31 | -7.50 | N/A | N/A | N/A |
| Remdesivir | NS5_ZIKV | Genome polyprotein | -8.03 | -5.39 | N/A | N/A | N/A |
| Remdesivir triphosphate | NS5_ZIKV | Genome polyprotein | -7.98 | -4.74 | N/A | N/A | N/A |
| Remdesivir | NS5_ZIKVF | Genome polyprotein | -8.30 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | NS5_ZIKVF | Genome polyprotein | -7.92 | N/A | N/A | N/A | N/A |
| Remdesivir | NS6_9CALI | NTPase | -4.35 | -4.94 | -6.04 | N/A | N/A |
| Remdesivir triphosphate | NS6_9CALI | NTPase | -4.87 | -5.59 | -6.79 | N/A | N/A |
| Remdesivir | NSP15_SARS | Replicase polyprotein 1ab | -6.53 | N/A | N/A | 18.75% | CHEMBL2441745 |
| Remdesivir triphosphate | NSP15_SARS | Replicase polyprotein 1ab | -5.89 | N/A | N/A | 20.15% | CHEMBL2441741 |
| Remdesivir | NSP15_SARS2 | Replicase polyprotein 1ab | -6.60 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | NSP15_SARS2 | Replicase polyprotein 1ab | -6.69 | N/A | N/A | N/A | N/A |
| Remdesivir | NSP1_INFB | Non-structural protein 1 | -6.14 | -6.12 | N/A | N/A | N/A |
| Remdesivir triphosphate | NSP1_INFB | Non-structural protein 1 | -4.60 | -4.83 | N/A | N/A | N/A |
| Remdesivir | NSP1_SARS | Replicase polyprotein 1ab | -5.92 | N/A | N/A | 18.75% | CHEMBL2441745 |
| Remdesivir triphosphate | NSP1_SARS | Replicase polyprotein 1ab | -6.20 | N/A | N/A | 20.15% | CHEMBL2441741 |
| Remdesivir | NSP3_HCoV-229E | Replicase polyprotein 1a | -8.86 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | NSP3_HCoV-229E | Replicase polyprotein 1a | -8.34 | N/A | N/A | N/A | N/A |
| Remdesivir | NSP3_IBV | Replicase polyprotein 1a | -8.23 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | NSP3_IBV | Replicase polyprotein 1a | -7.36 | N/A | N/A | N/A | N/A |
| Remdesivir | NSP3_MHV | Replicase polyprotein 1ab | -6.48 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | NSP3_MHV | Replicase polyprotein 1ab | -5.86 | N/A | N/A | N/A | N/A |
| Remdesivir | NSP3_SARS2 | Replicase polyprotein 1ab | -7.24 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | NSP3_SARS2 | Replicase polyprotein 1ab | -6.77 | N/A | N/A | N/A | N/A |
| Remdesivir | NSP9_HCoV-229E | Replicase polyprotein 1ab | -6.24 | -6.56 | N/A | N/A | N/A |
| Remdesivir triphosphate | NSP9_HCoV-229E | Replicase polyprotein 1ab | -5.58 | -4.95 | N/A | N/A | N/A |
| Remdesivir | PA_A-H17N10 | Polymerase acidic protein | -7.47 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | PA_A-H17N10 | Polymerase acidic protein | -7.07 | N/A | N/A | N/A | N/A |
| Remdesivir | PA_A-H1N1 | Polymerase acidic protein | -7.90 | -7.75 | -8.05 | N/A | N/A |
| Remdesivir triphosphate | PA_A-H1N1 | Polymerase acidic protein | -6.19 | -7.15 | -6.75 | N/A | N/A |
| Remdesivir | PA_A-H5N1 | Polymerase acidic protein | -8.03 | -7.20 | -7.92 | N/A | N/A |
| Remdesivir triphosphate | PA_A-H5N1 | Polymerase acidic protein | -7.11 | -7.90 | -7.51 | N/A | N/A |
| Remdesivir | PA_INFA | Polymerase acidic protein | -8.17 | -7.48 | -7.71 | 25.75% | CHEMBL4473580 |
| Remdesivir triphosphate | PA_INFA | Polymerase acidic protein | -6.01 | -6.83 | -7.04 | 28.00% | CHEMBL4473580 |
| Remdesivir | PA_INFB | Polymerase acidic protein | -7.73 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | PA_INFB | Polymerase acidic protein | -7.57 | N/A | N/A | N/A | N/A |
| Remdesivir | PB2_A-H3N2 | Polymerase basic protein 2 | -7.04 | -7.21 | N/A | N/A | N/A |
| Remdesivir triphosphate | PB2_A-H3N2 | Polymerase basic protein 2 | -6.37 | -6.93 | N/A | N/A | N/A |
| Remdesivir | PB2_A-H5N1 | Polymerase basic protein 2 | -7.40 | -6.70 | -7.95 | N/A | N/A |
| Remdesivir triphosphate | PB2_A-H5N1 | Polymerase basic protein 2 | -6.39 | -6.55 | -6.51 | N/A | N/A |
| Remdesivir | PB2_INFB | Polymerase basic protein 2 | -6.66 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | PB2_INFB | Polymerase basic protein 2 | -5.79 | N/A | N/A | N/A | N/A |
| Remdesivir | PB3_A-H3N2 | Polymerase basic protein 2 | -7.24 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | PB3_A-H3N2 | Polymerase basic protein 2 | -6.31 | N/A | N/A | N/A | N/A |
| Remdesivir | PB4_A-H3N2 | Polymerase basic protein 2 | -7.54 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | PB4_A-H3N2 | Polymerase basic protein 2 | -6.37 | N/A | N/A | N/A | N/A |
| Remdesivir | PLP_SARS | Replicase polyprotein 1a | -8.02 | -8.49 | -8.24 | 21.38% | CHEMBL225515 |
| Remdesivir triphosphate | PLP_SARS | Replicase polyprotein 1a | -7.43 | -8.41 | -7.56 | 22.10% | CHEMBL225515 |
| Remdesivir | PLP_SARS2 | papain-like protease | -6.54 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | PLP_SARS2 | papain-like protease | -6.83 | N/A | N/A | N/A | N/A |
| Remdesivir | PM_9VIRU | RNA-directed RNA polymerase L | ? | ? | N/A | N/A | N/A |
| Remdesivir triphosphate | PM_9VIRU | RNA-directed RNA polymerase L | -7.21 | -7.43 | N/A | N/A | N/A |
| Remdesivir | PR_FCoV | Replicase polyprotein 1ab | -6.91 | N/A | N/A | 18.65% | CHEMBL4214471 |
| Remdesivir triphosphate | PR_FCoV | Replicase polyprotein 1ab | -6.95 | N/A | N/A | 19.38% | CHEMBL4214471 |
| Remdesivir | PR_HCoV-229E | Replicase polyprotein 1a | -7.09 | -6.63 | N/A | N/A | N/A |
| Remdesivir triphosphate | PR_HCoV-229E | Replicase polyprotein 1a | -6.74 | -6.66 | N/A | N/A | N/A |
| Remdesivir | PR_HCoV-NL63 | Replicase polyprotein 1a | -4.90 | -7.48 | N/A | N/A | N/A |
| Remdesivir triphosphate | PR_HCoV-NL63 | Replicase polyprotein 1a | -4.55 | -6.82 | N/A | N/A | N/A |
| Remdesivir | PR_HIV1 | Gag-Pol polyprotein | -5.76 | -6.20 | -6.32 | 22.62% | CHEMBL3645127 |
| Remdesivir triphosphate | PR_HIV1 | Gag-Pol polyprotein | -5.12 | -6.12 | -6.32 | 24.48% | CHEMBL510485 |
| Remdesivir | PR_HIV2 | Gag-Pol polyprotein | -7.03 | -6.29 | N/A | N/A | N/A |
| Remdesivir triphosphate | PR_HIV2 | Gag-Pol polyprotein | -6.38 | -6.23 | N/A | N/A | N/A |
| Remdesivir | PR_HKU1 | Replicase polyprotein 1a | -7.37 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | PR_HKU1 | Replicase polyprotein 1a | -7.11 | N/A | N/A | N/A | N/A |
| Remdesivir | PR_HKU4 | Replicase polyprotein 1ab | -6.80 | -6.94 | -6.94 | N/A | N/A |
| Remdesivir triphosphate | PR_HKU4 | Replicase polyprotein 1ab | -6.67 | -6.99 | -6.17 | N/A | N/A |
| Remdesivir | PR_IBV | Replicase polyprotein 1a | -7.11 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | PR_IBV | Replicase polyprotein 1a | -6.91 | N/A | N/A | N/A | N/A |
| Remdesivir | PR_MERs | 3C-like proteinase | -6.79 | -7.73 | N/A | N/A | N/A |
| Remdesivir triphosphate | PR_MERs | 3C-like proteinase | -6.30 | -6.70 | N/A | N/A | N/A |
| Remdesivir | PR_PEDV | 3C-like proteinase | -7.58 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | PR_PEDV | 3C-like proteinase | -7.20 | N/A | N/A | N/A | N/A |
| Remdesivir | PR_SARS | Replicase polyprotein 1ab | -7.19 | -6.82 | -6.53 | 18.75% | CHEMBL2441745 |
| Remdesivir triphosphate | PR_SARS | Replicase polyprotein 1ab | -7.20 | -7.01 | -6.84 | 20.15% | CHEMBL2441741 |
| Remdesivir | PR_SARS2 | 3C-like protease | -7.44 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | PR_SARS2 | 3C-like protease | -6.97 | N/A | N/A | N/A | N/A |
| Remdesivir | PR_TGEV | Replicase polyprotein 1a | -6.76 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | PR_TGEV | Replicase polyprotein 1a | -6.87 | N/A | N/A | N/A | N/A |
| Remdesivir | P_9CALI | Norovirus P domain protein | -7.46 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | P_9CALI | Norovirus P domain protein | -7.19 | N/A | N/A | N/A | N/A |
| Remdesivir | P_NVN68 | Capsid protein VP1 | -5.82 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | P_NVN68 | Capsid protein VP1 | -5.08 | N/A | N/A | N/A | N/A |
| Remdesivir | RDRP_SARS2 | RNA-dependent RNA polymerase | -6.90 | N/A | N/A | 100.00% | CHEMBL4065616 |
| Remdesivir triphosphate | RDRP_SARS2 | RNA-dependent RNA polymerase | -6.88 | N/A | N/A | 72.63% | CHEMBL4065616 |
| Remdesivir | RT_HIV1 | Gag-Pol polyprotein | -9.22 | -9.03 | -9.03 | 28.68% | CHEMBL4108778 |
| Remdesivir triphosphate | RT_HIV1 | Gag-Pol polyprotein | -7.93 | -7.53 | -6.73 | 29.53% | CHEMBL4110544 |
| Remdesivir | SPIKE_HCoV-229E | Spike glycoprotein | -4.70 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | SPIKE_HCoV-229E | Spike glycoprotein | -5.11 | N/A | N/A | N/A | N/A |
| Remdesivir | SPIKE_HCoV-NL63 | Spike glycoprotein | -5.39 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | SPIKE_HCoV-NL63 | Spike glycoprotein | -5.31 | N/A | N/A | N/A | N/A |
| Remdesivir | SPIKE_HCoV-OC43 | Spike glycoprotein | -6.80 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | SPIKE_HCoV-OC43 | Spike glycoprotein | -6.53 | N/A | N/A | N/A | N/A |
| Remdesivir | SPIKE_HKU4 | Spike glycoprotein | -6.62 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | SPIKE_HKU4 | Spike glycoprotein | -6.25 | N/A | N/A | N/A | N/A |
| Remdesivir | SPIKE_IBV | Spike glycoprotein | -6.21 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | SPIKE_IBV | Spike glycoprotein | -5.91 | N/A | N/A | N/A | N/A |
| Remdesivir | SPIKE_MERs | Spike glycoprotein | -6.66 | -6.16 | -5.78 | N/A | N/A |
| Remdesivir triphosphate | SPIKE_MERs | Spike glycoprotein | -6.27 | -6.97 | -4.91 | N/A | N/A |
| Remdesivir | SPIKE_MHV | Spike glycoprotein | -6.60 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | SPIKE_MHV | Spike glycoprotein | -6.95 | N/A | N/A | N/A | N/A |
| Remdesivir | SPIKE_PDCoV | Spike protein | -6.74 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | SPIKE_PDCoV | Spike protein | -5.82 | N/A | N/A | N/A | N/A |
| Remdesivir | SPIKE_SARS | Spike glycoprotein | -6.20 | -6.48 | N/A | N/A | N/A |
| Remdesivir triphosphate | SPIKE_SARS | Spike glycoprotein | -5.70 | -5.88 | N/A | N/A | N/A |
| Remdesivir | SPIKE_SARS2 | Spike glycoprotein | -6.28 | -6.03 | -5.84 | N/A | N/A |
| Remdesivir triphosphate | SPIKE_SARS2 | Spike glycoprotein | -5.38 | -5.39 | -5.36 | N/A | N/A |
| Remdesivir | VP1_9CALI | Capsid protein | -7.70 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | VP1_9CALI | Capsid protein | -8.27 | N/A | N/A | N/A | N/A |
| Remdesivir | VP1_NVN68 | Capsid protein VP1 | -6.06 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | VP1_NVN68 | Capsid protein VP1 | -5.04 | N/A | N/A | N/A | N/A |
| Remdesivir | VP24_EBORE | Membrane-associated protein VP24 | -5.40 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | VP24_EBORE | Membrane-associated protein VP24 | -4.72 | N/A | N/A | N/A | N/A |
| Remdesivir | VP24_EBOSU | Membrane-associated protein VP24 | -5.55 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | VP24_EBOSU | Membrane-associated protein VP24 | -5.39 | N/A | N/A | N/A | N/A |
| Remdesivir | VP24_EBOZM | Membrane-associated protein VP24 | -5.88 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | VP24_EBOZM | Membrane-associated protein VP24 | -4.83 | N/A | N/A | N/A | N/A |
| Remdesivir | VP30_9MONO | Minor nucleoprotein VP30 | -5.81 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | VP30_9MONO | Minor nucleoprotein VP30 | -5.64 | N/A | N/A | N/A | N/A |
| Remdesivir | VP30_EBOZ5 | Transcriptional activator VP30 | -6.35 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | VP30_EBOZ5 | Transcriptional activator VP30 | -5.45 | N/A | N/A | N/A | N/A |
| Remdesivir | VP30_EBOZM | Transcriptional activator VP30 | -7.14 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | VP30_EBOZM | Transcriptional activator VP30 | -5.16 | N/A | N/A | N/A | N/A |
| Remdesivir | VP35_EBORR | Polymerase cofactor VP35 | -6.55 | N/A | N/A | N/A | N/A |
| Remdesivir triphosphate | VP35_EBORR | Polymerase cofactor VP35 | -5.52 | N/A | N/A | N/A | N/A |
| Remdesivir | VP35_EBOZM | Polymerase cofactor VP35 | -6.00 | -6.65 | -6.90 | N/A | N/A |
| Remdesivir triphosphate | VP35_EBOZM | Polymerase cofactor VP35 | -4.89 | -5.81 | -6.15 | N/A | N/A |
| Remdesivir | VP40_EBOZM | Matrix protein VP40 | -5.83 | -5.93 | N/A | N/A | N/A |
| Remdesivir triphosphate | VP40_EBOZM | Matrix protein VP40 | -4.46 | -4.49 | N/A | N/A | N/A |