mini project 083023_YZ#3 #536 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

Ligand Protein Symbol Approved Name Docking Scores Similarity
Score
Best Match
Model 1 Model 2 Model 3
Ritonavir 2A_HE71 Genome polyprotein -6.97 N/A N/A N/A N/A
Nirmatrelvir 2A_HE71 Genome polyprotein -7.41 N/A N/A N/A N/A
Molnupiravir 2A_HE71 Genome polyprotein -7.49 N/A N/A N/A N/A
Ritonavir 2A_HE71M Genome polyprotein -8.53 N/A N/A N/A N/A
Nirmatrelvir 2A_HE71M Genome polyprotein -6.98 N/A N/A N/A N/A
Molnupiravir 2A_HE71M Genome polyprotein -7.51 N/A N/A N/A N/A
Ritonavir 2C_HE71 Genome polyprotein -5.86 -5.75 N/A N/A N/A
Nirmatrelvir 2C_HE71 Genome polyprotein -5.65 -6.15 N/A N/A N/A
Molnupiravir 2C_HE71 Genome polyprotein -5.41 -6.27 N/A N/A N/A
Ritonavir 3A_9ENTO Genome polyprotein -5.40 N/A N/A N/A N/A
Nirmatrelvir 3A_9ENTO Genome polyprotein -5.77 N/A N/A N/A N/A
Molnupiravir 3A_9ENTO Genome polyprotein -5.95 N/A N/A N/A N/A
Ritonavir 3A_HE71M Genome polyprotein -5.55 N/A N/A N/A N/A
Nirmatrelvir 3A_HE71M Genome polyprotein -5.35 N/A N/A N/A N/A
Molnupiravir 3A_HE71M Genome polyprotein -5.50 N/A N/A N/A N/A
Ritonavir 3A_HED68 Genome polyprotein -5.11 N/A N/A N/A N/A
Nirmatrelvir 3A_HED68 Genome polyprotein -6.52 N/A N/A N/A N/A
Molnupiravir 3A_HED68 Genome polyprotein -5.78 N/A N/A N/A N/A
Ritonavir 3C_HE71 Genome polyprotein -5.97 -7.63 N/A N/A N/A
Nirmatrelvir 3C_HE71 Genome polyprotein -6.78 -6.46 N/A N/A N/A
Molnupiravir 3C_HE71 Genome polyprotein -5.88 -6.25 N/A N/A N/A
Ritonavir 3C_HED68 Genome polyprotein -6.56 N/A N/A N/A N/A
Nirmatrelvir 3C_HED68 Genome polyprotein -5.54 N/A N/A N/A N/A
Molnupiravir 3C_HED68 Genome polyprotein -5.47 N/A N/A N/A N/A
Ritonavir 3D_HE71 Genome polyprotein -7.62 N/A N/A N/A N/A
Nirmatrelvir 3D_HE71 Genome polyprotein -7.29 N/A N/A N/A N/A
Molnupiravir 3D_HE71 Genome polyprotein -7.52 N/A N/A N/A N/A
Ritonavir 3D_HED68 Genome polyprotein -8.22 N/A N/A N/A N/A
Nirmatrelvir 3D_HED68 Genome polyprotein -7.96 N/A N/A N/A N/A
Molnupiravir 3D_HED68 Genome polyprotein -7.33 N/A N/A N/A N/A
Ritonavir ACE2_HUMAN angiotensin converting enzyme 2 -10.61 N/A N/A 39.58% CHEMBL1240682
Nirmatrelvir ACE2_HUMAN angiotensin converting enzyme 2 -9.40 N/A N/A 38.64% CHEMBL254900
Molnupiravir ACE2_HUMAN angiotensin converting enzyme 2 -9.09 N/A N/A 21.43% CHEMBL429844
Ritonavir CAPSD_9CALI Capsid protein -7.56 -7.67 -7.70 N/A N/A
Nirmatrelvir CAPSD_9CALI Capsid protein -7.25 -7.13 -7.40 N/A N/A
Molnupiravir CAPSD_9CALI Capsid protein -7.01 -6.94 -7.75 N/A N/A
Ritonavir CAPSD_9ENTO Genome polyprotein -7.28 N/A N/A N/A N/A
Nirmatrelvir CAPSD_9ENTO Genome polyprotein -6.60 N/A N/A N/A N/A
Molnupiravir CAPSD_9ENTO Genome polyprotein -8.98 N/A N/A N/A N/A
Ritonavir CAPSD_DEN2P Genome polyprotein -7.78 N/A N/A N/A N/A
Nirmatrelvir CAPSD_DEN2P Genome polyprotein -6.63 N/A N/A N/A N/A
Molnupiravir CAPSD_DEN2P Genome polyprotein -5.67 N/A N/A N/A N/A
Ritonavir CAPSD_HCV77 Genome polyprotein -4.54 N/A N/A 34.04% CHEMBL3645728
Nirmatrelvir CAPSD_HCV77 Genome polyprotein -4.50 N/A N/A 60.67% CHEMBL296588
Molnupiravir CAPSD_HCV77 Genome polyprotein -4.44 N/A N/A 41.77% CHEMBL3696815
Ritonavir CAPSD_HED68 Capsid protein VP0 -10.11 -10.19 N/A N/A N/A
Nirmatrelvir CAPSD_HED68 Capsid protein VP0 -7.87 -8.58 N/A N/A N/A
Molnupiravir CAPSD_HED68 Capsid protein VP0 -7.55 -7.96 N/A N/A N/A
Ritonavir CAPSD_ZIKV Core protein -6.70 -6.60 N/A N/A N/A
Nirmatrelvir CAPSD_ZIKV Core protein -6.58 -5.76 N/A N/A N/A
Molnupiravir CAPSD_ZIKV Core protein -5.90 -5.24 N/A N/A N/A
Ritonavir DPM_HHV1K DNA polymerase catalytic subunit -9.05 N/A N/A 25.87% CHEMBL479371
Nirmatrelvir DPM_HHV1K DNA polymerase catalytic subunit -7.67 N/A N/A 16.31% CHEMBL479371
Molnupiravir DPM_HHV1K DNA polymerase catalytic subunit -7.73 N/A N/A 17.36% CHEMBL479371
Ritonavir E1_9HEPC Envelope glycoprotein E1 -5.32 N/A N/A N/A N/A
Nirmatrelvir E1_9HEPC Envelope glycoprotein E1 -5.46 N/A N/A N/A N/A
Molnupiravir E1_9HEPC Envelope glycoprotein E1 -5.28 N/A N/A N/A N/A
Ritonavir E1_HCV77 Genome polyprotein -4.30 N/A N/A 34.04% CHEMBL3645728
Nirmatrelvir E1_HCV77 Genome polyprotein -3.96 N/A N/A 60.67% CHEMBL296588
Molnupiravir E1_HCV77 Genome polyprotein -3.96 N/A N/A 41.77% CHEMBL3696815
Ritonavir E1_HCVJ1 Genome polyprotein -4.30 N/A N/A N/A N/A
Nirmatrelvir E1_HCVJ1 Genome polyprotein -4.87 N/A N/A N/A N/A
Molnupiravir E1_HCVJ1 Genome polyprotein -4.64 N/A N/A N/A N/A
Ritonavir E2_9HEPC Core protein precursor -8.29 N/A N/A N/A N/A
Nirmatrelvir E2_9HEPC Core protein precursor -8.00 N/A N/A N/A N/A
Molnupiravir E2_9HEPC Core protein precursor -8.23 N/A N/A N/A N/A
Ritonavir E2_HCV77 Genome polyprotein -6.19 N/A N/A 34.04% CHEMBL3645728
Nirmatrelvir E2_HCV77 Genome polyprotein -6.10 N/A N/A 60.67% CHEMBL296588
Molnupiravir E2_HCV77 Genome polyprotein -6.10 N/A N/A 41.77% CHEMBL3696815
Ritonavir ENV_9FLAV Envelope protein E -5.26 N/A N/A N/A N/A
Nirmatrelvir ENV_9FLAV Envelope protein E -4.91 N/A N/A N/A N/A
Molnupiravir ENV_9FLAV Envelope protein E -5.47 N/A N/A N/A N/A
Ritonavir ENV_DEN1B Genome polyprotein -5.59 N/A N/A N/A N/A
Nirmatrelvir ENV_DEN1B Genome polyprotein -5.64 N/A N/A N/A N/A
Molnupiravir ENV_DEN1B Genome polyprotein -4.79 N/A N/A N/A N/A
Ritonavir ENV_DEN2P Genome polyprotein -6.58 N/A N/A N/A N/A
Nirmatrelvir ENV_DEN2P Genome polyprotein -6.76 N/A N/A N/A N/A
Molnupiravir ENV_DEN2P Genome polyprotein -6.51 N/A N/A N/A N/A
Ritonavir ENV_DEN3P Genome polyprotein -5.90 N/A N/A N/A N/A
Nirmatrelvir ENV_DEN3P Genome polyprotein -5.42 N/A N/A N/A N/A
Molnupiravir ENV_DEN3P Genome polyprotein -5.58 N/A N/A N/A N/A
Ritonavir ENV_HHV2H Envelope glycoprotein H -7.84 N/A N/A N/A N/A
Nirmatrelvir ENV_HHV2H Envelope glycoprotein H -6.30 N/A N/A N/A N/A
Molnupiravir ENV_HHV2H Envelope glycoprotein H -6.23 N/A N/A N/A N/A
Ritonavir ENV_ZIKV Core protein -6.32 N/A N/A N/A N/A
Nirmatrelvir ENV_ZIKV Core protein -5.71 N/A N/A N/A N/A
Molnupiravir ENV_ZIKV Core protein -5.83 N/A N/A N/A N/A
Ritonavir ENV_ZIKVK Genome polyprotein -6.08 N/A N/A N/A N/A
Nirmatrelvir ENV_ZIKVK Genome polyprotein -5.84 N/A N/A N/A N/A
Molnupiravir ENV_ZIKVK Genome polyprotein -5.96 N/A N/A N/A N/A
Ritonavir G1_ADNV Envelope polyprotein -3.34 -6.87 -6.00 N/A N/A
Nirmatrelvir G1_ADNV Envelope polyprotein -3.58 -6.01 -6.16 N/A N/A
Molnupiravir G1_ADNV Envelope polyprotein -4.09 -6.30 -5.95 N/A N/A
Ritonavir G2_ADNV Envelope polyprotein -7.98 -8.64 -6.48 N/A N/A
Nirmatrelvir G2_ADNV Envelope polyprotein -7.01 -7.23 -6.41 N/A N/A
Molnupiravir G2_ADNV Envelope polyprotein -8.24 -7.79 -6.92 N/A N/A
Ritonavir GB_HHV11 Envelope glycoprotein B -7.13 N/A N/A N/A N/A
Nirmatrelvir GB_HHV11 Envelope glycoprotein B -6.84 N/A N/A N/A N/A
Molnupiravir GB_HHV11 Envelope glycoprotein B -6.38 N/A N/A N/A N/A
Ritonavir GB_HHV1K Envelope glycoprotein B -7.41 -6.67 N/A N/A N/A
Nirmatrelvir GB_HHV1K Envelope glycoprotein B -6.99 -7.22 N/A N/A N/A
Molnupiravir GB_HHV1K Envelope glycoprotein B -6.64 -6.60 N/A N/A N/A
Ritonavir GD_9ALPH Glycoprotein D -7.38 -6.02 N/A N/A N/A
Nirmatrelvir GD_9ALPH Glycoprotein D -6.93 -6.40 N/A N/A N/A
Molnupiravir GD_9ALPH Glycoprotein D -6.87 -6.25 N/A N/A N/A
Ritonavir GD_HHV1 Glycoprotein D -6.48 N/A N/A N/A N/A
Nirmatrelvir GD_HHV1 Glycoprotein D -6.11 N/A N/A N/A N/A
Molnupiravir GD_HHV1 Glycoprotein D -6.14 N/A N/A N/A N/A
Ritonavir GP160_HIV1 Envelope glycoprotein gp160 -7.35 -7.47 -7.20 N/A N/A
Nirmatrelvir GP160_HIV1 Envelope glycoprotein gp160 -6.83 -7.22 -7.33 N/A N/A
Molnupiravir GP160_HIV1 Envelope glycoprotein gp160 -6.32 -6.36 -6.27 N/A N/A
Ritonavir GP160_HIV2 Envelope glycoprotein gp160 -6.54 N/A N/A N/A N/A
Nirmatrelvir GP160_HIV2 Envelope glycoprotein gp160 -6.61 N/A N/A N/A N/A
Molnupiravir GP160_HIV2 Envelope glycoprotein gp160 -6.86 N/A N/A N/A N/A
Ritonavir GP_EBOV Envelope glycoprotein -8.47 -7.49 -7.80 36.81% CHEMBL3125895
Nirmatrelvir GP_EBOV Envelope glycoprotein -7.04 -7.03 -6.62 33.54% CHEMBL3125897
Molnupiravir GP_EBOV Envelope glycoprotein -7.17 -6.29 -6.20 19.27% CHEMBL3125895
Ritonavir GP_LASSJ Pre-glycoprotein polyprotein GP complex -5.79 -6.29 N/A N/A N/A
Nirmatrelvir GP_LASSJ Pre-glycoprotein polyprotein GP complex -6.19 -5.96 N/A N/A N/A
Molnupiravir GP_LASSJ Pre-glycoprotein polyprotein GP complex -6.42 -6.85 N/A N/A N/A
Ritonavir HA_A-H10N7 Hemagglutinin -6.44 N/A N/A N/A N/A
Nirmatrelvir HA_A-H10N7 Hemagglutinin -7.42 N/A N/A N/A N/A
Molnupiravir HA_A-H10N7 Hemagglutinin -6.68 N/A N/A N/A N/A
Ritonavir HA_A-H10N8 Hemagglutinin -6.77 N/A N/A N/A N/A
Nirmatrelvir HA_A-H10N8 Hemagglutinin -6.38 N/A N/A N/A N/A
Molnupiravir HA_A-H10N8 Hemagglutinin -5.51 N/A N/A N/A N/A
Ritonavir HA_A-H13N6 Hemagglutinin -6.13 N/A N/A N/A N/A
Nirmatrelvir HA_A-H13N6 Hemagglutinin -6.11 N/A N/A N/A N/A
Molnupiravir HA_A-H13N6 Hemagglutinin -6.69 N/A N/A N/A N/A
Ritonavir HA_A-H14N6 Hemagglutinin -7.09 N/A N/A N/A N/A
Nirmatrelvir HA_A-H14N6 Hemagglutinin -6.93 N/A N/A N/A N/A
Molnupiravir HA_A-H14N6 Hemagglutinin -7.36 N/A N/A N/A N/A
Ritonavir HA_A-H15N9 Hemagglutinin -6.46 N/A N/A N/A N/A
Nirmatrelvir HA_A-H15N9 Hemagglutinin -6.73 N/A N/A N/A N/A
Molnupiravir HA_A-H15N9 Hemagglutinin -6.64 N/A N/A N/A N/A
Ritonavir HA_A-H17N10 Hemagglutinin -6.17 N/A N/A N/A N/A
Nirmatrelvir HA_A-H17N10 Hemagglutinin -6.19 N/A N/A N/A N/A
Molnupiravir HA_A-H17N10 Hemagglutinin -5.90 N/A N/A N/A N/A
Ritonavir HA_A-H18N11 Hemagglutinin -5.34 N/A N/A N/A N/A
Nirmatrelvir HA_A-H18N11 Hemagglutinin -5.98 N/A N/A N/A N/A
Molnupiravir HA_A-H18N11 Hemagglutinin -5.68 N/A N/A N/A N/A
Ritonavir HA_A-H1N1 Hemagglutinin -6.41 -5.89 N/A N/A N/A
Nirmatrelvir HA_A-H1N1 Hemagglutinin -6.41 -6.40 N/A N/A N/A
Molnupiravir HA_A-H1N1 Hemagglutinin -6.67 -6.23 N/A N/A N/A
Ritonavir HA_A-H2N2 Hemagglutinin -5.43 -6.18 N/A N/A N/A
Nirmatrelvir HA_A-H2N2 Hemagglutinin -5.75 -6.48 N/A N/A N/A
Molnupiravir HA_A-H2N2 Hemagglutinin -6.29 -6.41 N/A N/A N/A
Ritonavir HA_A-H3N2 Hemagglutinin -6.80 -5.61 -5.63 N/A N/A
Nirmatrelvir HA_A-H3N2 Hemagglutinin -6.99 -6.86 -6.67 N/A N/A
Molnupiravir HA_A-H3N2 Hemagglutinin -5.81 -5.95 -6.05 N/A N/A
Ritonavir HA_A-H3N8 Hemagglutinin -5.51 -5.78 -5.14 N/A N/A
Nirmatrelvir HA_A-H3N8 Hemagglutinin -6.45 -6.26 -6.35 N/A N/A
Molnupiravir HA_A-H3N8 Hemagglutinin -5.74 -6.13 -5.82 N/A N/A
Ritonavir HA_A-H5N1 Hemagglutinin -5.93 -6.64 -6.16 N/A N/A
Nirmatrelvir HA_A-H5N1 Hemagglutinin -6.22 -7.31 -6.88 N/A N/A
Molnupiravir HA_A-H5N1 Hemagglutinin -6.72 -6.96 -6.22 N/A N/A
Ritonavir HA_A-H5N3 Hemagglutinin -6.58 -6.40 N/A N/A N/A
Nirmatrelvir HA_A-H5N3 Hemagglutinin -6.17 -6.47 N/A N/A N/A
Molnupiravir HA_A-H5N3 Hemagglutinin -7.15 -6.40 N/A N/A N/A
Ritonavir HA_A-H6N1 Hemagglutinin -6.77 N/A N/A N/A N/A
Nirmatrelvir HA_A-H6N1 Hemagglutinin -6.38 N/A N/A N/A N/A
Molnupiravir HA_A-H6N1 Hemagglutinin -5.51 N/A N/A N/A N/A
Ritonavir HA_A-H6N6 Hemagglutinin -5.95 N/A N/A N/A N/A
Nirmatrelvir HA_A-H6N6 Hemagglutinin -6.57 N/A N/A N/A N/A
Molnupiravir HA_A-H6N6 Hemagglutinin -6.41 N/A N/A N/A N/A
Ritonavir HA_A-H7N2 Hemagglutinin -5.59 -5.78 -6.34 N/A N/A
Nirmatrelvir HA_A-H7N2 Hemagglutinin -6.57 -5.66 -6.01 N/A N/A
Molnupiravir HA_A-H7N2 Hemagglutinin -6.49 -5.92 -6.26 N/A N/A
Ritonavir HA_A-H7N7 Hemagglutinin -6.83 -5.90 N/A N/A N/A
Nirmatrelvir HA_A-H7N7 Hemagglutinin -6.50 -6.77 N/A N/A N/A
Molnupiravir HA_A-H7N7 Hemagglutinin -6.07 -6.60 N/A N/A N/A
Ritonavir HA_A-H7N9 Hemagglutinin -7.27 N/A N/A N/A N/A
Nirmatrelvir HA_A-H7N9 Hemagglutinin -7.02 N/A N/A N/A N/A
Molnupiravir HA_A-H7N9 Hemagglutinin -6.23 N/A N/A N/A N/A
Ritonavir HA_INFB Hemagglutinin -7.02 -5.96 N/A N/A N/A
Nirmatrelvir HA_INFB Hemagglutinin -5.95 -5.95 N/A N/A N/A
Molnupiravir HA_INFB Hemagglutinin -6.07 -6.41 N/A N/A N/A
Ritonavir HA_INFD Hemagglutinin-esterase-fusion glycoprotein -5.43 N/A N/A N/A N/A
Nirmatrelvir HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.75 N/A N/A N/A N/A
Molnupiravir HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.07 N/A N/A N/A N/A
Ritonavir HE_BCV Hemagglutinin-esterase -7.23 -6.17 N/A N/A N/A
Nirmatrelvir HE_BCV Hemagglutinin-esterase -6.56 -6.28 N/A N/A N/A
Molnupiravir HE_BCV Hemagglutinin-esterase -5.96 -6.09 N/A N/A N/A
Ritonavir HE_HCoV-OC43 Hemagglutinin-esterase -5.69 N/A N/A N/A N/A
Nirmatrelvir HE_HCoV-OC43 Hemagglutinin-esterase -5.93 N/A N/A N/A N/A
Molnupiravir HE_HCoV-OC43 Hemagglutinin-esterase -5.29 N/A N/A N/A N/A
Ritonavir HE_MHV Hemagglutinin-esterase -5.70 N/A N/A N/A N/A
Nirmatrelvir HE_MHV Hemagglutinin-esterase -5.90 N/A N/A N/A N/A
Molnupiravir HE_MHV Hemagglutinin-esterase -5.57 N/A N/A N/A N/A
Ritonavir IN_HIV1 Gag-Pol polyprotein -5.77 -5.86 N/A N/A N/A
Nirmatrelvir IN_HIV1 Gag-Pol polyprotein -5.45 -5.77 N/A N/A N/A
Molnupiravir IN_HIV1 Gag-Pol polyprotein -5.36 -5.32 N/A N/A N/A
Ritonavir MD_HKU4 Replicase polyprotein 1ab -7.89 -8.09 -8.44 N/A N/A
Nirmatrelvir MD_HKU4 Replicase polyprotein 1ab -8.90 -8.83 -7.56 N/A N/A
Molnupiravir MD_HKU4 Replicase polyprotein 1ab -8.78 -8.39 -8.01 N/A N/A
Ritonavir MD_MERs Replicase polyprotein 1a -8.47 -8.83 N/A N/A N/A
Nirmatrelvir MD_MERs Replicase polyprotein 1a -8.82 -7.06 N/A N/A N/A
Molnupiravir MD_MERs Replicase polyprotein 1a -8.67 -8.19 N/A N/A N/A
Ritonavir MEM_9FLAV Core protein -4.83 N/A N/A N/A N/A
Nirmatrelvir MEM_9FLAV Core protein -6.04 N/A N/A N/A N/A
Molnupiravir MEM_9FLAV Core protein -5.46 N/A N/A N/A N/A
Ritonavir MTASE_SARS2 Methyltransferase -5.88 N/A N/A N/A N/A
Ritonavir MTASE_SARS2 Methyltransferase -7.66 N/A N/A N/A N/A
Nirmatrelvir MTASE_SARS2 Methyltransferase -6.49 N/A N/A N/A N/A
Nirmatrelvir MTASE_SARS2 Methyltransferase -7.89 N/A N/A N/A N/A
Molnupiravir MTASE_SARS2 Methyltransferase -5.93 N/A N/A N/A N/A
Molnupiravir MTASE_SARS2 Methyltransferase -7.65 N/A N/A N/A N/A
Ritonavir MX2_A-H5N1 Matrix protein 2 7.16 N/A N/A N/A N/A
Nirmatrelvir MX2_A-H5N1 Matrix protein 2 -3.78 N/A N/A N/A N/A
Molnupiravir MX2_A-H5N1 Matrix protein 2 -8.80 N/A N/A N/A N/A
Ritonavir MX_9MONO Matrix protein VP40 -9.45 N/A N/A N/A N/A
Nirmatrelvir MX_9MONO Matrix protein VP40 -7.87 N/A N/A N/A N/A
Molnupiravir MX_9MONO Matrix protein VP40 -7.66 N/A N/A N/A N/A
Ritonavir MX_LASSJ RING finger protein Z -4.89 N/A N/A N/A N/A
Nirmatrelvir MX_LASSJ RING finger protein Z -5.26 N/A N/A N/A N/A
Molnupiravir MX_LASSJ RING finger protein Z -5.70 N/A N/A N/A N/A
Ritonavir NA_A-H11N6 Neuraminidase -7.44 -7.61 -6.96 N/A N/A
Nirmatrelvir NA_A-H11N6 Neuraminidase -8.41 -8.20 -7.83 N/A N/A
Molnupiravir NA_A-H11N6 Neuraminidase -7.63 -7.38 -7.63 N/A N/A
Ritonavir NA_A-H11N9 Neuraminidase -6.85 -7.72 -7.96 N/A N/A
Nirmatrelvir NA_A-H11N9 Neuraminidase -5.59 -8.36 -8.06 N/A N/A
Molnupiravir NA_A-H11N9 Neuraminidase -6.00 -7.51 -7.55 N/A N/A
Ritonavir NA_A-H12N5 Neuraminidase -7.74 -8.19 -7.38 N/A N/A
Nirmatrelvir NA_A-H12N5 Neuraminidase -8.03 -8.04 -7.69 N/A N/A
Molnupiravir NA_A-H12N5 Neuraminidase -7.31 -7.85 -7.62 N/A N/A
Ritonavir NA_A-H13N9 Neuraminidase -5.99 N/A N/A N/A N/A
Nirmatrelvir NA_A-H13N9 Neuraminidase -6.40 N/A N/A N/A N/A
Molnupiravir NA_A-H13N9 Neuraminidase -6.51 N/A N/A N/A N/A
Ritonavir NA_A-H17N10 Neuraminidase -6.77 N/A N/A N/A N/A
Nirmatrelvir NA_A-H17N10 Neuraminidase -7.40 N/A N/A N/A N/A
Molnupiravir NA_A-H17N10 Neuraminidase -6.60 N/A N/A N/A N/A
Ritonavir NA_A-H18N11 Neuraminidase -7.12 N/A N/A N/A N/A
Nirmatrelvir NA_A-H18N11 Neuraminidase -7.06 N/A N/A N/A N/A
Molnupiravir NA_A-H18N11 Neuraminidase -5.99 N/A N/A N/A N/A
Ritonavir NA_A-H1N1 Neuraminidase -7.69 N/A N/A N/A N/A
Nirmatrelvir NA_A-H1N1 Neuraminidase -8.12 N/A N/A N/A N/A
Molnupiravir NA_A-H1N1 Neuraminidase -7.28 N/A N/A N/A N/A
Ritonavir NA_A-H2N2 Neuraminidase -7.43 -8.17 -8.16 N/A N/A
Nirmatrelvir NA_A-H2N2 Neuraminidase -8.02 -7.74 -7.38 N/A N/A
Molnupiravir NA_A-H2N2 Neuraminidase -7.71 -7.29 -7.29 N/A N/A
Ritonavir NA_A-H3N2 Ig heavy chain Mem5 -6.87 -6.79 N/A N/A N/A
Nirmatrelvir NA_A-H3N2 Ig heavy chain Mem5 -6.97 -7.40 N/A N/A N/A
Molnupiravir NA_A-H3N2 Ig heavy chain Mem5 -6.59 -7.31 N/A N/A N/A
Ritonavir NA_A-H3N8 Neuraminidase -7.81 -8.99 -7.81 31.16% CHEMBL4285029
Nirmatrelvir NA_A-H3N8 Neuraminidase -8.53 -8.51 -8.05 29.71% CHEMBL674
Molnupiravir NA_A-H3N8 Neuraminidase -7.73 -7.75 -7.38 22.31% CHEMBL222813
Ritonavir NA_A-H5N1 Neuraminidase -8.99 N/A N/A N/A N/A
Nirmatrelvir NA_A-H5N1 Neuraminidase -7.47 N/A N/A N/A N/A
Molnupiravir NA_A-H5N1 Neuraminidase -7.42 N/A N/A N/A N/A
Ritonavir NA_A-H7N9 Neuraminidase -7.54 -7.70 -7.06 N/A N/A
Nirmatrelvir NA_A-H7N9 Neuraminidase -7.93 -7.45 -8.29 N/A N/A
Molnupiravir NA_A-H7N9 Neuraminidase -7.14 -7.24 -7.34 N/A N/A
Ritonavir NA_INFB Neuraminidase -6.73 -6.75 N/A 36.55% CHEMBL373336
Nirmatrelvir NA_INFB Neuraminidase -7.27 -7.98 N/A 55.10% CHEMBL370047
Molnupiravir NA_INFB Neuraminidase -7.79 -7.76 N/A 28.81% CHEMBL183817
Ritonavir NP_9ADNV Nucleoprotein -5.11 -8.50 N/A N/A N/A
Nirmatrelvir NP_9ADNV Nucleoprotein -5.14 -7.09 N/A N/A N/A
Molnupiravir NP_9ADNV Nucleoprotein -5.19 -7.30 N/A N/A N/A
Ritonavir NP_A-H1N1 Nucleoprotein -5.78 -7.31 -6.44 N/A N/A
Nirmatrelvir NP_A-H1N1 Nucleoprotein -6.47 -6.10 -6.35 N/A N/A
Molnupiravir NP_A-H1N1 Nucleoprotein -5.40 -5.82 -7.17 N/A N/A
Ritonavir NP_A-H5N1 Nucleoprotein -6.29 N/A N/A N/A N/A
Nirmatrelvir NP_A-H5N1 Nucleoprotein -6.05 N/A N/A N/A N/A
Molnupiravir NP_A-H5N1 Nucleoprotein -6.33 N/A N/A N/A N/A
Ritonavir NP_EBOZM Nucleoprotein -6.29 -6.17 -6.55 N/A N/A
Nirmatrelvir NP_EBOZM Nucleoprotein -6.23 -6.12 -7.01 N/A N/A
Molnupiravir NP_EBOZM Nucleoprotein -5.57 -5.85 -6.31 N/A N/A
Ritonavir NP_HCoV-NL63 Nucleoprotein -6.18 N/A N/A N/A N/A
Nirmatrelvir NP_HCoV-NL63 Nucleoprotein -6.46 N/A N/A N/A N/A
Molnupiravir NP_HCoV-NL63 Nucleoprotein -6.43 N/A N/A N/A N/A
Ritonavir NP_HCoV-OC43 Nucleoprotein -7.78 -6.87 -7.16 11.39% CHEMBL3233481
Nirmatrelvir NP_HCoV-OC43 Nucleoprotein -8.25 -6.90 -6.77 15.25% CHEMBL3233481
Molnupiravir NP_HCoV-OC43 Nucleoprotein -7.18 -6.86 -6.53 11.54% CHEMBL3233481
Ritonavir NP_INFB Nucleoprotein -6.28 N/A N/A N/A N/A
Nirmatrelvir NP_INFB Nucleoprotein -6.08 N/A N/A N/A N/A
Molnupiravir NP_INFB Nucleoprotein -5.82 N/A N/A N/A N/A
Ritonavir NP_INFD NP -5.13 N/A N/A N/A N/A
Nirmatrelvir NP_INFD NP -5.07 N/A N/A N/A N/A
Molnupiravir NP_INFD NP -5.11 N/A N/A N/A N/A
Ritonavir NP_LASSJ Nucleoprotein -10.89 -10.47 -4.65 N/A N/A
Nirmatrelvir NP_LASSJ Nucleoprotein -9.13 -8.81 -5.12 N/A N/A
Molnupiravir NP_LASSJ Nucleoprotein -8.49 -8.45 -4.97 N/A N/A
Ritonavir NP_SARS Nucleoprotein -6.86 N/A N/A N/A N/A
Nirmatrelvir NP_SARS Nucleoprotein -7.42 N/A N/A N/A N/A
Molnupiravir NP_SARS Nucleoprotein -6.64 N/A N/A N/A N/A
Ritonavir NS1_9CALI NTPase -4.84 -5.11 -6.30 N/A N/A
Nirmatrelvir NS1_9CALI NTPase -5.43 -5.57 -6.15 N/A N/A
Molnupiravir NS1_9CALI NTPase -5.36 -5.49 -6.26 N/A N/A
Ritonavir NS1_9FLAV Non-structural protein 1 -6.24 N/A N/A N/A N/A
Nirmatrelvir NS1_9FLAV Non-structural protein 1 -5.35 N/A N/A N/A N/A
Molnupiravir NS1_9FLAV Non-structural protein 1 -5.50 N/A N/A N/A N/A
Ritonavir NS1_DEN1W Genome polyprotein -5.56 N/A N/A N/A N/A
Nirmatrelvir NS1_DEN1W Genome polyprotein -5.47 N/A N/A N/A N/A
Molnupiravir NS1_DEN1W Genome polyprotein -5.46 N/A N/A N/A N/A
Ritonavir NS1_ZIKV Core protein ? ? ? N/A N/A
Nirmatrelvir NS1_ZIKV Core protein 2.43 -6.46 -7.10 N/A N/A
Molnupiravir NS1_ZIKV Core protein -6.60 -6.35 -6.61 N/A N/A
Ritonavir NS2A_9FLAV Core protein -4.81 N/A N/A N/A N/A
Nirmatrelvir NS2A_9FLAV Core protein -4.48 N/A N/A N/A N/A
Molnupiravir NS2A_9FLAV Core protein -4.11 N/A N/A N/A N/A
Ritonavir NS2B_DEN1W Genome polyprotein -6.16 N/A N/A N/A N/A
Nirmatrelvir NS2B_DEN1W Genome polyprotein -7.80 N/A N/A N/A N/A
Molnupiravir NS2B_DEN1W Genome polyprotein -6.90 N/A N/A N/A N/A
Ritonavir NS2B_DEN2P Genome polyprotein -6.64 -7.03 N/A N/A N/A
Nirmatrelvir NS2B_DEN2P Genome polyprotein -6.52 -7.44 N/A N/A N/A
Molnupiravir NS2B_DEN2P Genome polyprotein -6.79 -6.77 N/A N/A N/A
Ritonavir NS2B_ZIKV Genome polyprotein -7.45 -7.74 N/A N/A N/A
Nirmatrelvir NS2B_ZIKV Genome polyprotein -7.12 -7.38 N/A N/A N/A
Molnupiravir NS2B_ZIKV Genome polyprotein -6.70 -6.77 N/A N/A N/A
Ritonavir NS2B_ZIKVF Genome polyprotein -7.38 N/A N/A N/A N/A
Nirmatrelvir NS2B_ZIKVF Genome polyprotein -6.97 N/A N/A N/A N/A
Molnupiravir NS2B_ZIKVF Genome polyprotein -6.65 N/A N/A N/A N/A
Ritonavir NS3_9FLAV Core protein -9.50 N/A N/A N/A N/A
Nirmatrelvir NS3_9FLAV Core protein -8.53 N/A N/A N/A N/A
Molnupiravir NS3_9FLAV Core protein -7.57 N/A N/A N/A N/A
Ritonavir NS3_DEN4T Genome polyprotein -9.13 -8.61 N/A N/A N/A
Nirmatrelvir NS3_DEN4T Genome polyprotein -7.64 -8.07 N/A N/A N/A
Molnupiravir NS3_DEN4T Genome polyprotein -8.03 -6.94 N/A N/A N/A
Ritonavir NS3_HCV1A Genome polyprotein -7.09 -5.95 -7.29 34.04% CHEMBL3645728
Nirmatrelvir NS3_HCV1A Genome polyprotein -6.82 -5.96 -6.22 60.67% CHEMBL296588
Molnupiravir NS3_HCV1A Genome polyprotein -8.08 -5.97 -7.11 41.77% CHEMBL3696815
Ritonavir NS3_HCV1B Genome polyprotein -7.17 -6.63 -5.90 36.26% CHEMBL3954962
Nirmatrelvir NS3_HCV1B Genome polyprotein -6.76 -6.80 -5.54 50.50% CHEMBL3921185
Molnupiravir NS3_HCV1B Genome polyprotein -7.79 -7.13 -5.79 20.82% CHEMBL3954962
Ritonavir NS3_HCV3A Genome polyprotein -7.10 -6.36 -5.93 N/A N/A
Nirmatrelvir NS3_HCV3A Genome polyprotein -6.89 -6.30 -6.40 N/A N/A
Molnupiravir NS3_HCV3A Genome polyprotein -6.73 -6.73 -7.01 N/A N/A
Ritonavir NS3_ZIKV Genome polyprotein -7.88 N/A N/A N/A N/A
Nirmatrelvir NS3_ZIKV Genome polyprotein -8.41 N/A N/A N/A N/A
Molnupiravir NS3_ZIKV Genome polyprotein -7.72 N/A N/A N/A N/A
Ritonavir NS5B_HCV1A Genome polyprotein -8.60 -9.41 -8.90 39.62% CHEMBL3644878
Nirmatrelvir NS5B_HCV1A Genome polyprotein -7.98 -8.13 -8.01 52.00% CHEMBL13443
Molnupiravir NS5B_HCV1A Genome polyprotein -7.43 -7.12 -7.08 21.98% CHEMBL3644925
Ritonavir NS5B_HCV1B Genome polyprotein -7.70 -8.10 -8.42 35.65% CHEMBL3422108
Nirmatrelvir NS5B_HCV1B Genome polyprotein -7.55 -7.93 -6.90 20.75% CHEMBL3422106
Molnupiravir NS5B_HCV1B Genome polyprotein -6.91 -7.88 -7.48 22.18% CHEMBL3970609
Ritonavir NS5B_HCV2A Genome polyprotein -9.75 -5.29 N/A 33.61% CHEMBL3127326
Nirmatrelvir NS5B_HCV2A Genome polyprotein -9.62 -6.16 N/A 34.72% CHEMBL3127326
Molnupiravir NS5B_HCV2A Genome polyprotein -8.92 -8.21 N/A 16.00% CHEMBL3127326
Ritonavir NS5_9FLAV Core protein -8.87 N/A N/A N/A N/A
Nirmatrelvir NS5_9FLAV Core protein -8.58 N/A N/A N/A N/A
Molnupiravir NS5_9FLAV Core protein -8.00 N/A N/A N/A N/A
Ritonavir NS5_DEN3S Genome polyprotein -7.55 -7.91 N/A N/A N/A
Nirmatrelvir NS5_DEN3S Genome polyprotein -7.07 -8.26 N/A N/A N/A
Molnupiravir NS5_DEN3S Genome polyprotein -7.11 -7.87 N/A N/A N/A
Ritonavir NS5_ZIKV Genome polyprotein -8.51 -5.46 N/A N/A N/A
Nirmatrelvir NS5_ZIKV Genome polyprotein -8.03 -5.88 N/A N/A N/A
Molnupiravir NS5_ZIKV Genome polyprotein -7.81 -5.25 N/A N/A N/A
Ritonavir NS5_ZIKVF Genome polyprotein -8.88 N/A N/A N/A N/A
Nirmatrelvir NS5_ZIKVF Genome polyprotein -8.68 N/A N/A N/A N/A
Molnupiravir NS5_ZIKVF Genome polyprotein -7.24 N/A N/A N/A N/A
Ritonavir NS6_9CALI NTPase -4.80 -5.68 -6.26 N/A N/A
Nirmatrelvir NS6_9CALI NTPase -5.19 -5.31 -6.29 N/A N/A
Molnupiravir NS6_9CALI NTPase -4.75 -5.70 -5.87 N/A N/A
Ritonavir NSP15_SARS Replicase polyprotein 1ab -6.44 N/A N/A 41.85% CHEMBL2441745
Nirmatrelvir NSP15_SARS Replicase polyprotein 1ab -6.37 N/A N/A 42.31% CHEMBL2441741
Molnupiravir NSP15_SARS Replicase polyprotein 1ab -6.07 N/A N/A 18.10% CHEMBL2441745
Ritonavir NSP15_SARS2 Replicase polyprotein 1ab -7.02 N/A N/A N/A N/A
Nirmatrelvir NSP15_SARS2 Replicase polyprotein 1ab -6.49 N/A N/A N/A N/A
Molnupiravir NSP15_SARS2 Replicase polyprotein 1ab -6.83 N/A N/A N/A N/A
Ritonavir NSP1_INFB Non-structural protein 1 -6.67 -5.59 N/A N/A N/A
Nirmatrelvir NSP1_INFB Non-structural protein 1 -6.71 -6.37 N/A N/A N/A
Molnupiravir NSP1_INFB Non-structural protein 1 -5.57 -5.26 N/A N/A N/A
Ritonavir NSP1_SARS Replicase polyprotein 1ab -6.32 N/A N/A 41.85% CHEMBL2441745
Nirmatrelvir NSP1_SARS Replicase polyprotein 1ab -6.15 N/A N/A 42.31% CHEMBL2441741
Molnupiravir NSP1_SARS Replicase polyprotein 1ab -5.87 N/A N/A 18.10% CHEMBL2441745
Ritonavir NSP3_HCoV-229E Replicase polyprotein 1a -9.13 N/A N/A N/A N/A
Nirmatrelvir NSP3_HCoV-229E Replicase polyprotein 1a -7.71 N/A N/A N/A N/A
Molnupiravir NSP3_HCoV-229E Replicase polyprotein 1a -9.71 N/A N/A N/A N/A
Ritonavir NSP3_IBV Replicase polyprotein 1a -8.42 N/A N/A N/A N/A
Nirmatrelvir NSP3_IBV Replicase polyprotein 1a -7.06 N/A N/A N/A N/A
Molnupiravir NSP3_IBV Replicase polyprotein 1a -9.52 N/A N/A N/A N/A
Ritonavir NSP3_MHV Replicase polyprotein 1ab -6.99 N/A N/A N/A N/A
Nirmatrelvir NSP3_MHV Replicase polyprotein 1ab -6.14 N/A N/A N/A N/A
Molnupiravir NSP3_MHV Replicase polyprotein 1ab -6.14 N/A N/A N/A N/A
Ritonavir NSP3_SARS2 Replicase polyprotein 1ab -7.34 N/A N/A N/A N/A
Nirmatrelvir NSP3_SARS2 Replicase polyprotein 1ab -7.45 N/A N/A N/A N/A
Molnupiravir NSP3_SARS2 Replicase polyprotein 1ab -6.92 N/A N/A N/A N/A
Ritonavir NSP9_HCoV-229E Replicase polyprotein 1ab -6.53 -6.56 N/A N/A N/A
Nirmatrelvir NSP9_HCoV-229E Replicase polyprotein 1ab -6.39 -6.81 N/A N/A N/A
Molnupiravir NSP9_HCoV-229E Replicase polyprotein 1ab -6.64 -6.23 N/A N/A N/A
Ritonavir PA_A-H17N10 Polymerase acidic protein -7.67 N/A N/A N/A N/A
Nirmatrelvir PA_A-H17N10 Polymerase acidic protein -7.62 N/A N/A N/A N/A
Molnupiravir PA_A-H17N10 Polymerase acidic protein -7.99 N/A N/A N/A N/A
Ritonavir PA_A-H1N1 Polymerase acidic protein -8.67 -7.96 -7.63 N/A N/A
Nirmatrelvir PA_A-H1N1 Polymerase acidic protein -7.61 -7.57 -7.81 N/A N/A
Molnupiravir PA_A-H1N1 Polymerase acidic protein -7.73 -7.95 -8.26 N/A N/A
Ritonavir PA_A-H5N1 Polymerase acidic protein -8.04 -7.36 -8.19 N/A N/A
Nirmatrelvir PA_A-H5N1 Polymerase acidic protein -7.81 -7.48 -7.56 N/A N/A
Molnupiravir PA_A-H5N1 Polymerase acidic protein -8.19 -7.94 -7.88 N/A N/A
Ritonavir PA_INFA Polymerase acidic protein -7.91 -7.39 -8.28 31.48% CHEMBL4473580
Nirmatrelvir PA_INFA Polymerase acidic protein -8.22 -7.35 -7.70 24.03% CHEMBL2040554
Molnupiravir PA_INFA Polymerase acidic protein -7.32 -8.08 -7.92 24.75% CHEMBL3944613
Ritonavir PA_INFB Polymerase acidic protein -7.88 N/A N/A N/A N/A
Nirmatrelvir PA_INFB Polymerase acidic protein -7.39 N/A N/A N/A N/A
Molnupiravir PA_INFB Polymerase acidic protein -7.16 N/A N/A N/A N/A
Ritonavir PB2_A-H3N2 Polymerase basic protein 2 -7.31 -7.60 N/A N/A N/A
Nirmatrelvir PB2_A-H3N2 Polymerase basic protein 2 -7.29 -7.64 N/A N/A N/A
Molnupiravir PB2_A-H3N2 Polymerase basic protein 2 -6.75 -7.37 N/A N/A N/A
Ritonavir PB2_A-H5N1 Polymerase basic protein 2 -8.10 -6.73 -7.20 N/A N/A
Nirmatrelvir PB2_A-H5N1 Polymerase basic protein 2 -7.64 -6.94 -7.42 N/A N/A
Molnupiravir PB2_A-H5N1 Polymerase basic protein 2 -6.84 -6.68 -7.11 N/A N/A
Ritonavir PB2_INFB Polymerase basic protein 2 -7.98 N/A N/A N/A N/A
Nirmatrelvir PB2_INFB Polymerase basic protein 2 -7.22 N/A N/A N/A N/A
Molnupiravir PB2_INFB Polymerase basic protein 2 -7.04 N/A N/A N/A N/A
Ritonavir PB3_A-H3N2 Polymerase basic protein 2 -7.06 N/A N/A N/A N/A
Nirmatrelvir PB3_A-H3N2 Polymerase basic protein 2 -7.79 N/A N/A N/A N/A
Molnupiravir PB3_A-H3N2 Polymerase basic protein 2 -7.40 N/A N/A N/A N/A
Ritonavir PB4_A-H3N2 Polymerase basic protein 2 -7.38 N/A N/A N/A N/A
Nirmatrelvir PB4_A-H3N2 Polymerase basic protein 2 -8.12 N/A N/A N/A N/A
Molnupiravir PB4_A-H3N2 Polymerase basic protein 2 -7.07 N/A N/A N/A N/A
Ritonavir PLP_SARS Replicase polyprotein 1a -8.71 -9.50 -8.70 38.26% CHEMBL213054
Nirmatrelvir PLP_SARS Replicase polyprotein 1a -7.34 -7.42 -8.27 42.86% CHEMBL213054
Molnupiravir PLP_SARS Replicase polyprotein 1a -7.99 -7.86 -8.13 20.66% CHEMBL213054
Ritonavir PLP_SARS2 papain-like protease -5.32 N/A N/A N/A N/A
Nirmatrelvir PLP_SARS2 papain-like protease -6.68 N/A N/A N/A N/A
Molnupiravir PLP_SARS2 papain-like protease -7.28 N/A N/A N/A N/A
Ritonavir PM_9VIRU RNA-directed RNA polymerase L -6.77 -7.74 N/A N/A N/A
Nirmatrelvir PM_9VIRU RNA-directed RNA polymerase L -7.20 -7.64 N/A N/A N/A
Molnupiravir PM_9VIRU RNA-directed RNA polymerase L -7.17 -7.13 N/A N/A N/A
Ritonavir PR_FCoV Replicase polyprotein 1ab -7.57 N/A N/A 41.03% CHEMBL4214471
Nirmatrelvir PR_FCoV Replicase polyprotein 1ab -7.04 N/A N/A 52.83% CHEMBL4214066
Molnupiravir PR_FCoV Replicase polyprotein 1ab -6.62 N/A N/A 17.44% CHEMBL4214066
Ritonavir PR_HCoV-229E Replicase polyprotein 1a -7.41 -7.22 N/A N/A N/A
Nirmatrelvir PR_HCoV-229E Replicase polyprotein 1a -7.67 -7.48 N/A N/A N/A
Molnupiravir PR_HCoV-229E Replicase polyprotein 1a -7.68 -7.20 N/A N/A N/A
Ritonavir PR_HCoV-NL63 Replicase polyprotein 1a -5.16 -7.09 N/A N/A N/A
Nirmatrelvir PR_HCoV-NL63 Replicase polyprotein 1a -4.55 -7.50 N/A N/A N/A
Molnupiravir PR_HCoV-NL63 Replicase polyprotein 1a -5.00 -7.44 N/A N/A N/A
Ritonavir PR_HIV1 Gag-Pol polyprotein -5.72 -6.38 -6.56 35.86% CHEMBL492666
Nirmatrelvir PR_HIV1 Gag-Pol polyprotein -6.46 -6.72 -7.03 17.03% CHEMBL492666
Molnupiravir PR_HIV1 Gag-Pol polyprotein -6.03 -6.15 -6.17 28.51% CHEMBL3645127
Ritonavir PR_HIV2 Gag-Pol polyprotein -6.17 -6.90 N/A N/A N/A
Nirmatrelvir PR_HIV2 Gag-Pol polyprotein -7.47 -6.82 N/A N/A N/A
Molnupiravir PR_HIV2 Gag-Pol polyprotein -6.65 -5.98 N/A N/A N/A
Ritonavir PR_HKU1 Replicase polyprotein 1a -6.89 N/A N/A N/A N/A
Nirmatrelvir PR_HKU1 Replicase polyprotein 1a -6.35 N/A N/A N/A N/A
Molnupiravir PR_HKU1 Replicase polyprotein 1a -6.67 N/A N/A N/A N/A
Ritonavir PR_HKU4 Replicase polyprotein 1ab -6.58 -6.62 -7.15 N/A N/A
Nirmatrelvir PR_HKU4 Replicase polyprotein 1ab -6.75 -7.19 -7.32 N/A N/A
Molnupiravir PR_HKU4 Replicase polyprotein 1ab -7.18 -6.89 -6.44 N/A N/A
Ritonavir PR_IBV Replicase polyprotein 1a -8.20 N/A N/A N/A N/A
Nirmatrelvir PR_IBV Replicase polyprotein 1a -6.96 N/A N/A N/A N/A
Molnupiravir PR_IBV Replicase polyprotein 1a -7.31 N/A N/A N/A N/A
Ritonavir PR_MERs 3C-like proteinase -6.75 -7.61 N/A N/A N/A
Nirmatrelvir PR_MERs 3C-like proteinase -7.55 -8.02 N/A N/A N/A
Molnupiravir PR_MERs 3C-like proteinase -7.31 -6.86 N/A N/A N/A
Ritonavir PR_PEDV 3C-like proteinase -7.66 N/A N/A N/A N/A
Nirmatrelvir PR_PEDV 3C-like proteinase -7.85 N/A N/A N/A N/A
Molnupiravir PR_PEDV 3C-like proteinase -6.92 N/A N/A N/A N/A
Ritonavir PR_SARS Replicase polyprotein 1ab -6.54 -6.74 -7.03 41.85% CHEMBL2441745
Nirmatrelvir PR_SARS Replicase polyprotein 1ab -6.87 -7.34 -7.32 42.31% CHEMBL2441741
Molnupiravir PR_SARS Replicase polyprotein 1ab -6.90 -7.30 -7.27 18.10% CHEMBL2441745
Ritonavir PR_SARS2 3C-like protease -7.77 N/A N/A N/A N/A
Nirmatrelvir PR_SARS2 3C-like protease -6.88 N/A N/A N/A N/A
Molnupiravir PR_SARS2 3C-like protease -7.31 N/A N/A N/A N/A
Ritonavir PR_TGEV Replicase polyprotein 1a -6.96 N/A N/A N/A N/A
Nirmatrelvir PR_TGEV Replicase polyprotein 1a -6.94 N/A N/A N/A N/A
Molnupiravir PR_TGEV Replicase polyprotein 1a -6.40 N/A N/A N/A N/A
Ritonavir P_9CALI Norovirus P domain protein -8.51 N/A N/A N/A N/A
Nirmatrelvir P_9CALI Norovirus P domain protein -7.87 N/A N/A N/A N/A
Molnupiravir P_9CALI Norovirus P domain protein -7.56 N/A N/A N/A N/A
Ritonavir P_NVN68 Capsid protein VP1 -5.72 N/A N/A N/A N/A
Nirmatrelvir P_NVN68 Capsid protein VP1 -5.30 N/A N/A N/A N/A
Molnupiravir P_NVN68 Capsid protein VP1 -5.32 N/A N/A N/A N/A
Ritonavir RDRP_SARS2 RNA-dependent RNA polymerase -6.97 N/A N/A 22.46% CHEMBL4065616
Nirmatrelvir RDRP_SARS2 RNA-dependent RNA polymerase -6.54 N/A N/A 10.37% CHEMBL4065616
Molnupiravir RDRP_SARS2 RNA-dependent RNA polymerase -6.76 N/A N/A 23.68% CHEMBL4065616
Ritonavir RT_HIV1 Gag-Pol polyprotein -8.36 -8.48 -7.72 46.62% CHEMBL3921297
Nirmatrelvir RT_HIV1 Gag-Pol polyprotein -8.05 -8.30 -7.19 33.58% CHEMBL4225865
Molnupiravir RT_HIV1 Gag-Pol polyprotein -7.85 -8.20 -7.88 23.95% CHEMBL3683704
Ritonavir SPIKE_HCoV-229E Spike glycoprotein -4.71 N/A N/A N/A N/A
Nirmatrelvir SPIKE_HCoV-229E Spike glycoprotein -4.66 N/A N/A N/A N/A
Molnupiravir SPIKE_HCoV-229E Spike glycoprotein -4.73 N/A N/A N/A N/A
Ritonavir SPIKE_HCoV-NL63 Spike glycoprotein -5.78 N/A N/A N/A N/A
Nirmatrelvir SPIKE_HCoV-NL63 Spike glycoprotein -6.20 N/A N/A N/A N/A
Molnupiravir SPIKE_HCoV-NL63 Spike glycoprotein -5.14 N/A N/A N/A N/A
Ritonavir SPIKE_HCoV-OC43 Spike glycoprotein -6.71 N/A N/A N/A N/A
Nirmatrelvir SPIKE_HCoV-OC43 Spike glycoprotein -6.36 N/A N/A N/A N/A
Molnupiravir SPIKE_HCoV-OC43 Spike glycoprotein -6.44 N/A N/A N/A N/A
Ritonavir SPIKE_HKU4 Spike glycoprotein -7.33 N/A N/A N/A N/A
Nirmatrelvir SPIKE_HKU4 Spike glycoprotein -7.03 N/A N/A N/A N/A
Molnupiravir SPIKE_HKU4 Spike glycoprotein -7.35 N/A N/A N/A N/A
Ritonavir SPIKE_IBV Spike glycoprotein -6.68 N/A N/A N/A N/A
Nirmatrelvir SPIKE_IBV Spike glycoprotein -6.39 N/A N/A N/A N/A
Molnupiravir SPIKE_IBV Spike glycoprotein -5.41 N/A N/A N/A N/A
Ritonavir SPIKE_MERs Spike glycoprotein -6.40 -6.48 -5.38 N/A N/A
Nirmatrelvir SPIKE_MERs Spike glycoprotein -7.21 -6.20 -5.53 N/A N/A
Molnupiravir SPIKE_MERs Spike glycoprotein -6.43 -5.90 -5.33 N/A N/A
Ritonavir SPIKE_MHV Spike glycoprotein -6.86 N/A N/A N/A N/A
Nirmatrelvir SPIKE_MHV Spike glycoprotein -7.29 N/A N/A N/A N/A
Molnupiravir SPIKE_MHV Spike glycoprotein -7.00 N/A N/A N/A N/A
Ritonavir SPIKE_PDCoV Spike protein -6.39 N/A N/A N/A N/A
Nirmatrelvir SPIKE_PDCoV Spike protein -6.85 N/A N/A N/A N/A
Molnupiravir SPIKE_PDCoV Spike protein -6.17 N/A N/A N/A N/A
Ritonavir SPIKE_SARS Spike glycoprotein -6.09 -5.91 N/A N/A N/A
Nirmatrelvir SPIKE_SARS Spike glycoprotein -6.27 -6.61 N/A N/A N/A
Molnupiravir SPIKE_SARS Spike glycoprotein -5.92 -6.70 N/A N/A N/A
Ritonavir SPIKE_SARS2 Spike glycoprotein -5.57 -6.21 -6.52 N/A N/A
Nirmatrelvir SPIKE_SARS2 Spike glycoprotein -5.64 -6.37 -7.36 N/A N/A
Molnupiravir SPIKE_SARS2 Spike glycoprotein -5.51 -5.83 -6.13 N/A N/A
Ritonavir VP1_9CALI Capsid protein -8.43 N/A N/A N/A N/A
Nirmatrelvir VP1_9CALI Capsid protein -7.36 N/A N/A N/A N/A
Molnupiravir VP1_9CALI Capsid protein -7.74 N/A N/A N/A N/A
Ritonavir VP1_NVN68 Capsid protein VP1 -5.10 N/A N/A N/A N/A
Nirmatrelvir VP1_NVN68 Capsid protein VP1 -5.76 N/A N/A N/A N/A
Molnupiravir VP1_NVN68 Capsid protein VP1 -6.11 N/A N/A N/A N/A
Ritonavir VP24_EBORE Membrane-associated protein VP24 -4.99 N/A N/A N/A N/A
Nirmatrelvir VP24_EBORE Membrane-associated protein VP24 -5.21 N/A N/A N/A N/A
Molnupiravir VP24_EBORE Membrane-associated protein VP24 -4.87 N/A N/A N/A N/A
Ritonavir VP24_EBOSU Membrane-associated protein VP24 -5.15 N/A N/A N/A N/A
Nirmatrelvir VP24_EBOSU Membrane-associated protein VP24 -5.09 N/A N/A N/A N/A
Molnupiravir VP24_EBOSU Membrane-associated protein VP24 -4.79 N/A N/A N/A N/A
Ritonavir VP24_EBOZM Membrane-associated protein VP24 -5.83 N/A N/A N/A N/A
Nirmatrelvir VP24_EBOZM Membrane-associated protein VP24 -5.73 N/A N/A N/A N/A
Molnupiravir VP24_EBOZM Membrane-associated protein VP24 -5.32 N/A N/A N/A N/A
Ritonavir VP30_9MONO Minor nucleoprotein VP30 -4.63 N/A N/A N/A N/A
Nirmatrelvir VP30_9MONO Minor nucleoprotein VP30 -5.64 N/A N/A N/A N/A
Molnupiravir VP30_9MONO Minor nucleoprotein VP30 -5.18 N/A N/A N/A N/A
Ritonavir VP30_EBOZ5 Transcriptional activator VP30 -5.77 N/A N/A N/A N/A
Nirmatrelvir VP30_EBOZ5 Transcriptional activator VP30 -6.00 N/A N/A N/A N/A
Molnupiravir VP30_EBOZ5 Transcriptional activator VP30 -6.22 N/A N/A N/A N/A
Ritonavir VP30_EBOZM Transcriptional activator VP30 -6.32 N/A N/A N/A N/A
Nirmatrelvir VP30_EBOZM Transcriptional activator VP30 -6.81 N/A N/A N/A N/A
Molnupiravir VP30_EBOZM Transcriptional activator VP30 -6.54 N/A N/A N/A N/A
Ritonavir VP35_EBORR Polymerase cofactor VP35 -6.39 N/A N/A N/A N/A
Nirmatrelvir VP35_EBORR Polymerase cofactor VP35 -5.49 N/A N/A N/A N/A
Molnupiravir VP35_EBORR Polymerase cofactor VP35 -5.52 N/A N/A N/A N/A
Ritonavir VP35_EBOZM Polymerase cofactor VP35 -6.74 -6.45 -6.80 N/A N/A
Nirmatrelvir VP35_EBOZM Polymerase cofactor VP35 -5.91 -5.85 -6.47 N/A N/A
Molnupiravir VP35_EBOZM Polymerase cofactor VP35 -5.60 -6.02 -5.41 N/A N/A
Ritonavir VP40_EBOZM Matrix protein VP40 -5.08 -4.78 N/A N/A N/A
Nirmatrelvir VP40_EBOZM Matrix protein VP40 -5.16 -5.73 N/A N/A N/A
Molnupiravir VP40_EBOZM Matrix protein VP40 -4.82 -4.99 N/A N/A N/A