PSP-case1 #508 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
Remdesivir 2A_HE71 Genome polyprotein -7.89 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 -7.64 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 -5.30 -6.54 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 -5.68 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 -5.58 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 -5.30 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 -5.70 -7.11 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 -6.39 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 -7.03 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 -7.95 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 -10.03 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 -7.69 -7.16 -8.30 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 -7.42 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 -6.35 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 -5.24 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 -8.94 -9.98 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 -6.39 -6.55 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 -9.08 N/A N/A 22.85% CHEMBL479371
Remdesivir triphosphate DPM_HHV1K DNA polymerase catalytic subunit -6.63 N/A N/A 22.85% CHEMBL479371
Remdesivir E1_9HEPC Envelope glycoprotein E1 -5.85 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 -4.01 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 -4.01 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 -8.45 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 -6.11 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 -5.52 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 -4.99 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 -6.79 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 -6.39 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 -7.06 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 -6.62 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 -6.17 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 -3.51 -6.28 -6.09 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 -8.15 -8.04 -6.86 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 -7.02 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 -6.80 -6.73 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 -7.13 -6.74 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 -5.96 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 -7.91 -7.78 -7.56 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 -6.96 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 -7.51 -6.70 -7.79 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 -5.35 -6.05 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 -6.85 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 -6.66 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 -6.10 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 -6.58 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 -6.88 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 -5.89 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 -5.69 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 -6.64 -6.40 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 -5.69 -6.44 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 -6.98 -6.70 -6.46 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 -5.79 -6.25 -6.71 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 -5.58 -6.41 -6.68 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 -6.39 -6.74 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 -6.66 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 -6.86 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 -6.76 -6.34 -6.87 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 -6.80 -6.93 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 -6.80 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 -7.04 -6.86 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 -6.33 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 -6.34 -6.55 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 -5.99 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 -6.40 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 -5.41 -5.91 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 -8.08 -7.19 -8.57 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 -8.38 -8.26 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 -5.82 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 -5.89 N/A N/A N/A N/A
Remdesivir MTASE_SARS2 Methyltransferase -7.46 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 -3.84 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 -8.97 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 -5.23 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 -7.49 -8.19 -7.94 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 -7.31 -8.26 -8.42 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 -7.58 -8.64 -7.42 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 -6.38 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 -7.85 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 -6.91 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 -8.03 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 -7.81 -7.93 -7.90 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 -7.59 -7.50 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 -8.37 -8.35 -8.09 19.35% CHEMBL4278505
Remdesivir triphosphate NA_A-H3N8 Neuraminidase -8.24 -8.39 -8.24 17.22% CHEMBL4285767
Remdesivir NA_A-H5N1 Neuraminidase -8.30 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 -7.93 -8.03 -8.36 N/A N/A
Remdesivir triphosphate NA_A-H7N9 Neuraminidase -6.79 -7.81 -8.10 N/A N/A
Remdesivir NA_INFB Neuraminidase -7.83 -8.09 N/A 21.22% CHEMBL362993
Remdesivir triphosphate NA_INFB Neuraminidase -8.66 -7.47 N/A 22.34% CHEMBL362993
Remdesivir NP_9ADNV Nucleoprotein -5.52 -7.87 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 -5.82 -6.71 -6.08 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 -5.92 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 -6.25 -6.89 -6.23 N/A N/A
Remdesivir triphosphate NP_EBOZM Nucleoprotein -5.20 -6.42 -5.86 N/A N/A
Remdesivir NP_HCoV-NL63 Nucleoprotein -7.03 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 -7.69 -6.79 -6.85 11.03% CHEMBL3233481
Remdesivir triphosphate NP_HCoV-OC43 Nucleoprotein -7.18 -6.49 -6.71 11.60% CHEMBL3233481
Remdesivir NP_INFB Nucleoprotein -5.92 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 -5.47 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 -9.85 -10.13 -4.38 N/A N/A
Remdesivir triphosphate NP_LASSJ Nucleoprotein -8.69 -8.71 -4.12 N/A N/A
Remdesivir NP_SARS Nucleoprotein -6.61 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 -5.43 -4.59 -5.48 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 -5.48 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 -5.48 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 8.26 -6.40 -6.92 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 -4.86 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 -6.50 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 -6.59 -7.24 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 -7.01 -7.02 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 -7.50 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 -8.74 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 -8.68 -8.24 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 -6.82 -6.14 -6.30 50.17% CHEMBL3696815
Remdesivir triphosphate NS3_HCV1A Genome polyprotein -7.74 -6.11 -7.54 33.85% CHEMBL3696819
Remdesivir NS3_HCV1B Genome polyprotein -6.62 -6.24 -5.28 23.98% CHEMBL297884
Remdesivir triphosphate NS3_HCV1B Genome polyprotein -6.20 -6.81 -6.04 24.74% CHEMBL297884
Remdesivir NS3_HCV3A Genome polyprotein -7.47 -7.27 -7.46 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 -8.54 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 -7.87 -8.75 -8.86 26.36% CHEMBL353549
Remdesivir triphosphate NS5B_HCV1A Genome polyprotein -7.71 -8.02 -8.00 27.56% CHEMBL353549
Remdesivir NS5B_HCV1B Genome polyprotein -8.12 -8.03 -7.90 67.51% CHEMBL4111989
Remdesivir triphosphate NS5B_HCV1B Genome polyprotein -6.90 -6.81 -6.27 92.24% CHEMBL4111989
Remdesivir NS5B_HCV2A Genome polyprotein -9.92 -8.77 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 -7.82 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 -8.13 -8.53 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 -8.63 -5.71 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 -8.10 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 -4.74 -6.05 -6.50 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 -6.95 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 -6.47 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 -6.23 -5.74 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 -6.20 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 -8.41 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 -7.67 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 -6.15 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 -7.34 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 -6.27 -6.75 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 -7.53 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 -8.69 -7.82 -7.82 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 -8.76 -8.68 -8.58 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 -8.30 -8.30 -7.79 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 -8.30 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 -8.14 -7.25 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 -6.86 -7.14 -7.58 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 -7.70 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 -7.40 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 -7.97 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 -9.34 -9.32 -9.07 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 -5.97 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 -7.63 -8.19 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 -7.51 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 -7.38 -6.56 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 -4.63 -7.74 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 -6.62 -7.13 -6.53 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 -6.85 -6.45 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 -6.98 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 -6.74 -6.94 -7.02 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 -7.62 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 -7.37 -7.91 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 -7.62 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 -7.01 -7.28 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 -7.99 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 -7.35 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 -7.55 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 -5.90 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 -6.24 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 -8.97 -9.30 -8.71 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 -5.35 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 -4.96 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 -7.52 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 -6.12 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 -5.77 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 -6.32 -6.33 -5.95 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 -6.36 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 -6.64 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 -5.99 -6.82 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 -5.03 -5.84 -6.23 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 -8.36 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 -5.62 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 -5.30 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 -5.78 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 -5.55 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 -5.94 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 -6.70 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 -7.19 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 -6.77 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 -6.30 -6.75 -6.74 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 -6.44 -5.74 N/A N/A N/A
Remdesivir triphosphate VP40_EBOZM Matrix protein VP40 -4.46 -4.49 N/A N/A N/A