LTJv5 #81 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
Baricitinib GP160_HIV1 Envelope glycoprotein gp160 -6.07 -6.07 -5.77 N/A N/A
Ruxolitinib GP160_HIV1 Envelope glycoprotein gp160 -5.93 -6.55 -6.11 N/A N/A
Diclofenac GP160_HIV1 Envelope glycoprotein gp160 -5.98 -5.95 -5.93 N/A N/A
Fedratinib GP160_HIV1 Envelope glycoprotein gp160 -8.13 -7.92 -8.11 N/A N/A
Baricitinib GP160_HIV2 Envelope glycoprotein gp160 -6.61 N/A N/A N/A N/A
Ruxolitinib GP160_HIV2 Envelope glycoprotein gp160 -6.47 N/A N/A N/A N/A
Diclofenac GP160_HIV2 Envelope glycoprotein gp160 -6.31 N/A N/A N/A N/A
Fedratinib GP160_HIV2 Envelope glycoprotein gp160 -6.88 N/A N/A N/A N/A
Baricitinib GP_EBOV Envelope glycoprotein -7.36 -6.64 -6.78 30.61% CHEMBL3125895
Ruxolitinib GP_EBOV Envelope glycoprotein -7.85 -6.99 -7.23 24.35% CHEMBL3125895
Diclofenac GP_EBOV Envelope glycoprotein -7.09 -6.46 -6.94 16.00% CHEMBL3125895
Fedratinib GP_EBOV Envelope glycoprotein -8.22 -8.69 -7.68 24.66% CHEMBL3125895
Baricitinib HA_A-H10N7 Hemagglutinin -7.28 N/A N/A N/A N/A
Ruxolitinib HA_A-H10N7 Hemagglutinin -7.10 N/A N/A N/A N/A
Diclofenac HA_A-H10N7 Hemagglutinin -6.72 N/A N/A N/A N/A
Fedratinib HA_A-H10N7 Hemagglutinin -7.33 N/A N/A N/A N/A
Baricitinib HA_A-H10N8 Hemagglutinin -7.12 N/A N/A N/A N/A
Ruxolitinib HA_A-H10N8 Hemagglutinin -6.72 N/A N/A N/A N/A
Diclofenac HA_A-H10N8 Hemagglutinin -5.76 N/A N/A N/A N/A
Fedratinib HA_A-H10N8 Hemagglutinin -6.49 N/A N/A N/A N/A
Baricitinib HA_A-H13N6 Hemagglutinin -5.01 N/A N/A N/A N/A
Ruxolitinib HA_A-H13N6 Hemagglutinin -5.66 N/A N/A N/A N/A
Diclofenac HA_A-H13N6 Hemagglutinin -5.79 N/A N/A N/A N/A
Fedratinib HA_A-H13N6 Hemagglutinin 26.22 N/A N/A N/A N/A
Baricitinib HA_A-H14N6 Hemagglutinin -6.92 N/A N/A N/A N/A
Ruxolitinib HA_A-H14N6 Hemagglutinin -6.28 N/A N/A N/A N/A
Diclofenac HA_A-H14N6 Hemagglutinin -5.68 N/A N/A N/A N/A
Fedratinib HA_A-H14N6 Hemagglutinin -7.25 N/A N/A N/A N/A
Baricitinib HA_A-H15N9 Hemagglutinin -7.14 N/A N/A N/A N/A
Ruxolitinib HA_A-H15N9 Hemagglutinin -6.67 N/A N/A N/A N/A
Diclofenac HA_A-H15N9 Hemagglutinin -6.34 N/A N/A N/A N/A
Fedratinib HA_A-H15N9 Hemagglutinin -6.44 N/A N/A N/A N/A
Baricitinib HA_A-H17N10 Hemagglutinin -5.84 N/A N/A N/A N/A
Ruxolitinib HA_A-H17N10 Hemagglutinin -5.74 N/A N/A N/A N/A
Diclofenac HA_A-H17N10 Hemagglutinin -5.27 N/A N/A N/A N/A
Fedratinib HA_A-H17N10 Hemagglutinin -6.81 N/A N/A N/A N/A
Baricitinib HA_A-H18N11 Hemagglutinin -5.33 N/A N/A N/A N/A
Ruxolitinib HA_A-H18N11 Hemagglutinin -5.33 N/A N/A N/A N/A
Diclofenac HA_A-H18N11 Hemagglutinin -5.78 N/A N/A N/A N/A
Fedratinib HA_A-H18N11 Hemagglutinin -6.40 N/A N/A N/A N/A
Baricitinib HA_A-H1N1 Hemagglutinin -6.29 -6.36 N/A N/A N/A
Ruxolitinib HA_A-H1N1 Hemagglutinin -6.42 -6.10 N/A N/A N/A
Diclofenac HA_A-H1N1 Hemagglutinin -6.51 -6.07 N/A N/A N/A
Fedratinib HA_A-H1N1 Hemagglutinin -6.67 -6.74 N/A N/A N/A
Baricitinib HA_A-H2N2 Hemagglutinin -5.69 -5.80 N/A N/A N/A
Ruxolitinib HA_A-H2N2 Hemagglutinin -5.70 -5.74 N/A N/A N/A
Diclofenac HA_A-H2N2 Hemagglutinin -5.45 -5.63 N/A N/A N/A
Fedratinib HA_A-H2N2 Hemagglutinin -7.11 -6.23 N/A N/A N/A
Baricitinib HA_A-H3N2 Hemagglutinin -6.77 -6.61 -6.42 N/A N/A
Ruxolitinib HA_A-H3N2 Hemagglutinin -6.45 -6.31 -6.24 N/A N/A
Diclofenac HA_A-H3N2 Hemagglutinin -5.79 -5.62 -5.74 N/A N/A
Fedratinib HA_A-H3N2 Hemagglutinin -7.02 -6.63 -6.28 N/A N/A
Baricitinib HA_A-H3N8 Hemagglutinin -5.96 -6.65 -6.54 N/A N/A
Ruxolitinib HA_A-H3N8 Hemagglutinin -5.81 -6.27 -6.37 N/A N/A
Diclofenac HA_A-H3N8 Hemagglutinin -5.29 -5.96 -6.00 N/A N/A
Fedratinib HA_A-H3N8 Hemagglutinin -7.10 -6.29 -7.14 N/A N/A
Baricitinib HA_A-H5N1 Hemagglutinin -6.48 -6.54 -6.63 N/A N/A
Ruxolitinib HA_A-H5N1 Hemagglutinin -6.52 -6.23 -6.24 N/A N/A
Diclofenac HA_A-H5N1 Hemagglutinin -6.47 -6.03 -6.78 N/A N/A
Fedratinib HA_A-H5N1 Hemagglutinin -6.50 -7.36 -6.95 N/A N/A
Baricitinib HA_A-H5N3 Hemagglutinin -6.72 -6.50 N/A N/A N/A
Ruxolitinib HA_A-H5N3 Hemagglutinin -6.29 -6.15 N/A N/A N/A
Diclofenac HA_A-H5N3 Hemagglutinin -7.26 -6.91 N/A N/A N/A
Fedratinib HA_A-H5N3 Hemagglutinin -6.64 -6.23 N/A N/A N/A
Baricitinib HA_A-H6N1 Hemagglutinin -7.12 N/A N/A N/A N/A
Ruxolitinib HA_A-H6N1 Hemagglutinin -6.72 N/A N/A N/A N/A
Diclofenac HA_A-H6N1 Hemagglutinin -5.76 N/A N/A N/A N/A
Fedratinib HA_A-H6N1 Hemagglutinin -6.49 N/A N/A N/A N/A
Baricitinib HA_A-H6N6 Hemagglutinin -6.11 N/A N/A N/A N/A
Ruxolitinib HA_A-H6N6 Hemagglutinin -6.67 N/A N/A N/A N/A
Diclofenac HA_A-H6N6 Hemagglutinin -5.79 N/A N/A N/A N/A
Fedratinib HA_A-H6N6 Hemagglutinin -6.53 N/A N/A N/A N/A
Baricitinib HA_A-H7N2 Hemagglutinin -6.17 -6.37 -6.20 N/A N/A
Ruxolitinib HA_A-H7N2 Hemagglutinin -6.66 -6.04 -6.52 N/A N/A
Diclofenac HA_A-H7N2 Hemagglutinin -6.31 -5.51 -6.00 N/A N/A
Fedratinib HA_A-H7N2 Hemagglutinin -5.94 -6.34 -5.97 N/A N/A
Baricitinib HA_A-H7N7 Hemagglutinin -5.72 -6.65 N/A N/A N/A
Ruxolitinib HA_A-H7N7 Hemagglutinin -5.56 -6.43 N/A N/A N/A
Diclofenac HA_A-H7N7 Hemagglutinin -6.32 -5.90 N/A N/A N/A
Fedratinib HA_A-H7N7 Hemagglutinin -5.48 -7.52 N/A N/A N/A
Baricitinib HA_A-H7N9 Hemagglutinin -6.17 N/A N/A N/A N/A
Ruxolitinib HA_A-H7N9 Hemagglutinin -6.43 N/A N/A N/A N/A
Diclofenac HA_A-H7N9 Hemagglutinin -6.42 N/A N/A N/A N/A
Fedratinib HA_A-H7N9 Hemagglutinin -6.95 N/A N/A N/A N/A
Baricitinib HA_INFB Hemagglutinin -6.69 -6.22 N/A N/A N/A
Ruxolitinib HA_INFB Hemagglutinin -6.80 -6.39 N/A N/A N/A
Diclofenac HA_INFB Hemagglutinin -6.03 -5.74 N/A N/A N/A
Fedratinib HA_INFB Hemagglutinin -7.29 -6.71 N/A N/A N/A
Baricitinib HA_INFD Hemagglutinin-esterase-fusion glycoprotein -3.92 N/A N/A N/A N/A
Ruxolitinib HA_INFD Hemagglutinin-esterase-fusion glycoprotein -5.08 N/A N/A N/A N/A
Diclofenac HA_INFD Hemagglutinin-esterase-fusion glycoprotein -5.14 N/A N/A N/A N/A
Fedratinib HA_INFD Hemagglutinin-esterase-fusion glycoprotein 3.32 N/A N/A N/A N/A
Baricitinib HE_BCV Hemagglutinin-esterase -6.86 -6.70 N/A N/A N/A
Ruxolitinib HE_BCV Hemagglutinin-esterase -6.47 -6.13 N/A N/A N/A
Diclofenac HE_BCV Hemagglutinin-esterase -6.45 -5.77 N/A N/A N/A
Fedratinib HE_BCV Hemagglutinin-esterase -6.68 -6.97 N/A N/A N/A
Baricitinib HE_HCoV-OC43 Hemagglutinin-esterase -6.37 N/A N/A N/A N/A
Ruxolitinib HE_HCoV-OC43 Hemagglutinin-esterase -6.20 N/A N/A N/A N/A
Diclofenac HE_HCoV-OC43 Hemagglutinin-esterase -5.44 N/A N/A N/A N/A
Fedratinib HE_HCoV-OC43 Hemagglutinin-esterase -6.45 N/A N/A N/A N/A
Baricitinib HE_MHV Hemagglutinin-esterase -6.14 N/A N/A N/A N/A
Ruxolitinib HE_MHV Hemagglutinin-esterase -5.94 N/A N/A N/A N/A
Diclofenac HE_MHV Hemagglutinin-esterase -5.56 N/A N/A N/A N/A
Fedratinib HE_MHV Hemagglutinin-esterase -6.98 N/A N/A N/A N/A
Baricitinib IN_HIV1 Gag-Pol polyprotein -5.34 -5.38 N/A N/A N/A
Ruxolitinib IN_HIV1 Gag-Pol polyprotein -5.69 -5.87 N/A N/A N/A
Diclofenac IN_HIV1 Gag-Pol polyprotein -5.41 -5.42 N/A N/A N/A
Fedratinib IN_HIV1 Gag-Pol polyprotein -6.71 -6.73 N/A N/A N/A
Baricitinib MD_HKU4 Replicase polyprotein 1ab -8.65 -7.73 -8.26 N/A N/A
Ruxolitinib MD_HKU4 Replicase polyprotein 1ab -8.21 -8.13 -8.01 N/A N/A
Diclofenac MD_HKU4 Replicase polyprotein 1ab -7.40 -7.15 -7.04 N/A N/A
Fedratinib MD_HKU4 Replicase polyprotein 1ab -9.97 -9.03 -9.21 N/A N/A
Baricitinib MD_MERs Replicase polyprotein 1a -8.44 -8.32 N/A N/A N/A
Ruxolitinib MD_MERs Replicase polyprotein 1a -8.81 -8.29 N/A N/A N/A
Diclofenac MD_MERs Replicase polyprotein 1a -7.33 -7.55 N/A N/A N/A
Fedratinib MD_MERs Replicase polyprotein 1a -9.21 -8.72 N/A N/A N/A
Baricitinib MX2_A-H5N1 Matrix protein 2 -6.14 N/A N/A N/A N/A
Ruxolitinib MX2_A-H5N1 Matrix protein 2 -7.96 N/A N/A N/A N/A
Diclofenac MX2_A-H5N1 Matrix protein 2 -8.09 N/A N/A N/A N/A
Fedratinib MX2_A-H5N1 Matrix protein 2 -1.97 N/A N/A N/A N/A
Baricitinib NA_A-H11N6 Neuraminidase -7.40 -7.27 -7.29 N/A N/A
Ruxolitinib NA_A-H11N6 Neuraminidase -7.51 -7.18 -6.77 N/A N/A
Diclofenac NA_A-H11N6 Neuraminidase -6.71 -6.79 -7.10 N/A N/A
Fedratinib NA_A-H11N6 Neuraminidase -8.32 -8.68 -8.42 N/A N/A
Baricitinib NA_A-H11N9 Neuraminidase -6.52 -7.62 -7.34 N/A N/A
Ruxolitinib NA_A-H11N9 Neuraminidase -7.64 -7.21 -7.01 N/A N/A
Diclofenac NA_A-H11N9 Neuraminidase -6.27 -7.26 -7.10 N/A N/A
Fedratinib NA_A-H11N9 Neuraminidase -7.01 -8.56 -8.05 N/A N/A
Baricitinib NA_A-H12N5 Neuraminidase -7.41 -8.10 -8.04 N/A N/A
Ruxolitinib NA_A-H12N5 Neuraminidase -6.70 -7.24 -7.14 N/A N/A
Diclofenac NA_A-H12N5 Neuraminidase -6.82 -7.20 -7.19 N/A N/A
Fedratinib NA_A-H12N5 Neuraminidase -8.25 -8.44 -7.93 N/A N/A
Baricitinib NA_A-H13N9 Neuraminidase -7.39 N/A N/A N/A N/A
Ruxolitinib NA_A-H13N9 Neuraminidase -7.18 N/A N/A N/A N/A
Diclofenac NA_A-H13N9 Neuraminidase -6.60 N/A N/A N/A N/A
Fedratinib NA_A-H13N9 Neuraminidase -6.74 N/A N/A N/A N/A
Baricitinib NA_A-H17N10 Neuraminidase -7.37 N/A N/A N/A N/A
Ruxolitinib NA_A-H17N10 Neuraminidase -6.72 N/A N/A N/A N/A
Diclofenac NA_A-H17N10 Neuraminidase -6.00 N/A N/A N/A N/A
Fedratinib NA_A-H17N10 Neuraminidase -6.59 N/A N/A N/A N/A
Baricitinib NA_A-H18N11 Neuraminidase -6.82 N/A N/A N/A N/A
Ruxolitinib NA_A-H18N11 Neuraminidase -6.50 N/A N/A N/A N/A
Diclofenac NA_A-H18N11 Neuraminidase -5.60 N/A N/A N/A N/A
Fedratinib NA_A-H18N11 Neuraminidase -7.19 N/A N/A N/A N/A
Baricitinib NA_A-H1N1 Neuraminidase -7.57 N/A N/A N/A N/A
Ruxolitinib NA_A-H1N1 Neuraminidase -7.62 N/A N/A N/A N/A
Diclofenac NA_A-H1N1 Neuraminidase -7.10 N/A N/A N/A N/A
Fedratinib NA_A-H1N1 Neuraminidase -8.08 N/A N/A N/A N/A
Baricitinib NA_A-H2N2 Neuraminidase -8.06 -7.80 -7.45 N/A N/A
Ruxolitinib NA_A-H2N2 Neuraminidase -7.54 -7.13 -7.17 N/A N/A
Diclofenac NA_A-H2N2 Neuraminidase -6.71 -6.69 -6.53 N/A N/A
Fedratinib NA_A-H2N2 Neuraminidase -7.32 -8.41 -8.46 N/A N/A
Baricitinib NA_A-H3N2 Ig heavy chain Mem5 -6.90 -7.17 N/A N/A N/A
Ruxolitinib NA_A-H3N2 Ig heavy chain Mem5 -7.12 -7.20 N/A N/A N/A
Diclofenac NA_A-H3N2 Ig heavy chain Mem5 -6.26 -6.54 N/A N/A N/A
Fedratinib NA_A-H3N2 Ig heavy chain Mem5 -7.99 -7.02 N/A N/A N/A
Baricitinib NA_A-H3N8 Neuraminidase -7.28 -7.45 -7.25 N/A N/A
Ruxolitinib NA_A-H3N8 Neuraminidase -6.83 -7.95 -7.06 N/A N/A
Diclofenac NA_A-H3N8 Neuraminidase -6.62 -6.84 -7.08 N/A N/A
Fedratinib NA_A-H3N8 Neuraminidase -8.10 -8.90 -7.86 N/A N/A
Baricitinib NA_A-H5N1 Neuraminidase -7.36 N/A N/A N/A N/A
Ruxolitinib NA_A-H5N1 Neuraminidase -7.47 N/A N/A N/A N/A
Diclofenac NA_A-H5N1 Neuraminidase -6.97 N/A N/A N/A N/A
Fedratinib NA_A-H5N1 Neuraminidase -8.66 N/A N/A N/A N/A
Baricitinib NA_A-H7N9 Neuraminidase -7.36 -7.69 -7.42 N/A N/A
Ruxolitinib NA_A-H7N9 Neuraminidase -7.09 -7.32 -7.33 N/A N/A
Diclofenac NA_A-H7N9 Neuraminidase -6.99 -6.92 -6.77 N/A N/A
Fedratinib NA_A-H7N9 Neuraminidase -8.43 -8.17 -8.44 N/A N/A
Baricitinib NA_INFB Neuraminidase -7.76 -7.25 N/A 20.94% CHEMBL362993
Ruxolitinib NA_INFB Neuraminidase -7.05 -7.01 N/A 21.65% CHEMBL362993
Diclofenac NA_INFB Neuraminidase -7.13 -6.64 N/A 18.38% CHEMBL4175983
Fedratinib NA_INFB Neuraminidase -7.40 -7.90 N/A 22.56% CHEMBL195288
Baricitinib NP_A-H1N1 Nucleoprotein -6.35 -5.54 -6.31 N/A N/A
Ruxolitinib NP_A-H1N1 Nucleoprotein -6.20 -7.39 -6.11 N/A N/A
Diclofenac NP_A-H1N1 Nucleoprotein -6.30 -6.76 -6.49 N/A N/A
Fedratinib NP_A-H1N1 Nucleoprotein -5.59 -7.42 -7.11 N/A N/A
Baricitinib NP_A-H5N1 Nucleoprotein -6.13 N/A N/A N/A N/A
Ruxolitinib NP_A-H5N1 Nucleoprotein -6.63 N/A N/A N/A N/A
Diclofenac NP_A-H5N1 Nucleoprotein -6.65 N/A N/A N/A N/A
Fedratinib NP_A-H5N1 Nucleoprotein -6.99 N/A N/A N/A N/A
Baricitinib NP_HCoV-NL63 Nucleoprotein -6.96 N/A N/A N/A N/A
Ruxolitinib NP_HCoV-NL63 Nucleoprotein -6.55 N/A N/A N/A N/A
Diclofenac NP_HCoV-NL63 Nucleoprotein -6.18 N/A N/A N/A N/A
Fedratinib NP_HCoV-NL63 Nucleoprotein -7.71 N/A N/A N/A N/A
Baricitinib NP_HCoV-OC43 Nucleoprotein -8.24 -6.88 -6.48 12.87% CHEMBL3233481
Ruxolitinib NP_HCoV-OC43 Nucleoprotein -8.17 -7.02 -6.83 13.12% CHEMBL3233481
Diclofenac NP_HCoV-OC43 Nucleoprotein -7.26 -6.97 -6.44 19.64% CHEMBL3233481
Fedratinib NP_HCoV-OC43 Nucleoprotein -9.38 -8.35 -6.68 13.04% CHEMBL3233481
Baricitinib NP_INFB Nucleoprotein -5.52 N/A N/A N/A N/A
Ruxolitinib NP_INFB Nucleoprotein -5.16 N/A N/A N/A N/A
Diclofenac NP_INFB Nucleoprotein -5.29 N/A N/A N/A N/A
Fedratinib NP_INFB Nucleoprotein -5.86 N/A N/A N/A N/A
Baricitinib NP_INFD NP -4.99 N/A N/A N/A N/A
Ruxolitinib NP_INFD NP -5.35 N/A N/A N/A N/A
Diclofenac NP_INFD NP -5.27 N/A N/A N/A N/A
Fedratinib NP_INFD NP -5.41 N/A N/A N/A N/A
Baricitinib NP_SARS Nucleoprotein -7.13 N/A N/A N/A N/A
Ruxolitinib NP_SARS Nucleoprotein -6.98 N/A N/A N/A N/A
Diclofenac NP_SARS Nucleoprotein -7.11 N/A N/A N/A N/A
Fedratinib NP_SARS Nucleoprotein -7.44 N/A N/A N/A N/A
Baricitinib NS3_HCV1A Genome polyprotein -6.96 -5.86 -7.53 34.11% CHEMBL3645728
Ruxolitinib NS3_HCV1A Genome polyprotein -6.70 -5.97 -7.11 29.77% CHEMBL4110202
Diclofenac NS3_HCV1A Genome polyprotein -7.19 -6.42 -6.94 29.50% CHEMBL3984600
Fedratinib NS3_HCV1A Genome polyprotein -7.54 -6.30 -7.12 35.36% CHEMBL3913754
Baricitinib NS3_HCV1B Genome polyprotein -8.01 -7.23 -5.74 31.69% CHEMBL1170408
Ruxolitinib NS3_HCV1B Genome polyprotein -7.88 -7.81 -6.20 23.53% CHEMBL1170417
Diclofenac NS3_HCV1B Genome polyprotein -6.85 -6.74 -6.51 16.67% CHEMBL3125634
Fedratinib NS3_HCV1B Genome polyprotein -10.49 -8.27 -6.53 27.82% CHEMBL1170417
Baricitinib NS3_HCV3A Genome polyprotein -6.62 -7.14 -6.62 N/A N/A
Ruxolitinib NS3_HCV3A Genome polyprotein -6.64 -7.04 -6.60 N/A N/A
Diclofenac NS3_HCV3A Genome polyprotein -6.37 -6.20 -6.12 N/A N/A
Fedratinib NS3_HCV3A Genome polyprotein -7.42 -7.26 -7.17 N/A N/A
Baricitinib NS5B_HCV1A Genome polyprotein -8.15 -7.74 -7.94 34.81% CHEMBL3644907
Ruxolitinib NS5B_HCV1A Genome polyprotein -7.37 -8.13 -8.47 31.58% CHEMBL353549
Diclofenac NS5B_HCV1A Genome polyprotein -6.99 -8.34 -8.47 27.42% CHEMBL178973
Fedratinib NS5B_HCV1A Genome polyprotein -8.30 -9.47 -9.02 27.93% CHEMBL3644940
Baricitinib NS5B_HCV1B Genome polyprotein -7.96 -7.67 -7.29 35.38% CHEMBL3645197
Ruxolitinib NS5B_HCV1B Genome polyprotein -7.84 -8.48 -8.38 28.68% CHEMBL3645202
Diclofenac NS5B_HCV1B Genome polyprotein -7.28 -7.09 -6.85 22.06% CHEMBL3645194
Fedratinib NS5B_HCV1B Genome polyprotein -7.80 -8.28 -8.18 32.39% CHEMBL3645179
Baricitinib NS5B_HCV2A Genome polyprotein -8.17 -9.33 N/A N/A N/A
Ruxolitinib NS5B_HCV2A Genome polyprotein -8.83 -9.56 N/A N/A N/A
Diclofenac NS5B_HCV2A Genome polyprotein -7.98 -8.43 N/A N/A N/A
Fedratinib NS5B_HCV2A Genome polyprotein -10.48 -6.70 N/A N/A N/A
Baricitinib NSP15_SARS Replicase polyprotein 1ab -6.35 N/A N/A 19.40% CHEMBL2441741
Ruxolitinib NSP15_SARS Replicase polyprotein 1ab -6.61 N/A N/A 18.56% CHEMBL2441741
Diclofenac NSP15_SARS Replicase polyprotein 1ab -5.87 N/A N/A 16.90% CHEMBL221366
Fedratinib NSP15_SARS Replicase polyprotein 1ab -7.03 N/A N/A 17.89% CHEMBL2441741
Baricitinib NSP1_INFB Non-structural protein 1 -5.80 -5.84 N/A N/A N/A
Ruxolitinib NSP1_INFB Non-structural protein 1 -5.74 -5.72 N/A N/A N/A
Diclofenac NSP1_INFB Non-structural protein 1 -5.60 -5.17 N/A N/A N/A
Fedratinib NSP1_INFB Non-structural protein 1 -6.90 -6.91 N/A N/A N/A
Baricitinib NSP1_SARS Replicase polyprotein 1ab -6.77 N/A N/A 19.40% CHEMBL2441741
Ruxolitinib NSP1_SARS Replicase polyprotein 1ab -6.36 N/A N/A 18.56% CHEMBL2441741
Diclofenac NSP1_SARS Replicase polyprotein 1ab -5.85 N/A N/A 16.90% CHEMBL221366
Fedratinib NSP1_SARS Replicase polyprotein 1ab -6.65 N/A N/A 17.89% CHEMBL2441741
Baricitinib NSP3_HCoV-229E Replicase polyprotein 1a -8.59 N/A N/A N/A N/A
Ruxolitinib NSP3_HCoV-229E Replicase polyprotein 1a -9.18 N/A N/A N/A N/A
Diclofenac NSP3_HCoV-229E Replicase polyprotein 1a -7.72 N/A N/A N/A N/A
Fedratinib NSP3_HCoV-229E Replicase polyprotein 1a -9.61 N/A N/A N/A N/A
Baricitinib NSP3_IBV Replicase polyprotein 1a -8.38 N/A N/A N/A N/A
Ruxolitinib NSP3_IBV Replicase polyprotein 1a -9.36 N/A N/A N/A N/A
Diclofenac NSP3_IBV Replicase polyprotein 1a -7.66 N/A N/A N/A N/A
Fedratinib NSP3_IBV Replicase polyprotein 1a -8.78 N/A N/A N/A N/A
Baricitinib NSP3_MHV Replicase polyprotein 1ab -6.86 N/A N/A N/A N/A
Ruxolitinib NSP3_MHV Replicase polyprotein 1ab -6.98 N/A N/A N/A N/A
Diclofenac NSP3_MHV Replicase polyprotein 1ab -6.62 N/A N/A N/A N/A
Fedratinib NSP3_MHV Replicase polyprotein 1ab 1.40 N/A N/A N/A N/A
Baricitinib NSP9_HCoV-229E Replicase polyprotein 1ab -6.20 -6.66 N/A N/A N/A
Ruxolitinib NSP9_HCoV-229E Replicase polyprotein 1ab -6.23 -6.45 N/A N/A N/A
Diclofenac NSP9_HCoV-229E Replicase polyprotein 1ab -6.51 -5.90 N/A N/A N/A
Fedratinib NSP9_HCoV-229E Replicase polyprotein 1ab -7.02 -6.93 N/A N/A N/A
Baricitinib PA_A-H17N10 Polymerase acidic protein -7.33 N/A N/A N/A N/A
Ruxolitinib PA_A-H17N10 Polymerase acidic protein -7.10 N/A N/A N/A N/A
Diclofenac PA_A-H17N10 Polymerase acidic protein -6.64 N/A N/A N/A N/A
Fedratinib PA_A-H17N10 Polymerase acidic protein -8.10 N/A N/A N/A N/A
Baricitinib PA_A-H1N1 Polymerase acidic protein -7.27 -7.88 -7.38 N/A N/A
Ruxolitinib PA_A-H1N1 Polymerase acidic protein -7.66 -7.96 -7.71 N/A N/A
Diclofenac PA_A-H1N1 Polymerase acidic protein -6.62 -6.87 -6.79 N/A N/A
Fedratinib PA_A-H1N1 Polymerase acidic protein -8.86 -8.53 -8.96 N/A N/A
Baricitinib PA_A-H5N1 Polymerase acidic protein -7.85 -7.31 -7.67 N/A N/A
Ruxolitinib PA_A-H5N1 Polymerase acidic protein -7.59 -7.12 -7.28 N/A N/A
Diclofenac PA_A-H5N1 Polymerase acidic protein -6.70 -6.73 -6.79 N/A N/A
Fedratinib PA_A-H5N1 Polymerase acidic protein -8.64 -8.44 -8.24 N/A N/A
Baricitinib PA_INFA Polymerase acidic protein -8.13 -6.84 -8.00 24.00% CHEMBL2040569
Ruxolitinib PA_INFA Polymerase acidic protein -8.73 -6.96 -7.60 24.65% CHEMBL2040578
Diclofenac PA_INFA Polymerase acidic protein -7.83 -6.65 -6.49 29.31% CHEMBL2040552
Fedratinib PA_INFA Polymerase acidic protein -9.04 -7.71 -8.35 20.83% CHEMBL2040569
Baricitinib PA_INFB Polymerase acidic protein -7.02 N/A N/A N/A N/A
Ruxolitinib PA_INFB Polymerase acidic protein -7.32 N/A N/A N/A N/A
Diclofenac PA_INFB Polymerase acidic protein -6.37 N/A N/A N/A N/A
Fedratinib PA_INFB Polymerase acidic protein -7.53 N/A N/A N/A N/A
Baricitinib PB2_A-H3N2 Polymerase basic protein 2 -7.66 -7.65 N/A N/A N/A
Ruxolitinib PB2_A-H3N2 Polymerase basic protein 2 -7.86 -7.95 N/A N/A N/A
Diclofenac PB2_A-H3N2 Polymerase basic protein 2 -6.98 -7.47 N/A N/A N/A
Fedratinib PB2_A-H3N2 Polymerase basic protein 2 -8.01 -8.73 N/A N/A N/A
Baricitinib PB2_A-H5N1 Polymerase basic protein 2 -7.02 -7.75 -7.68 N/A N/A
Ruxolitinib PB2_A-H5N1 Polymerase basic protein 2 -7.36 -7.86 -7.59 N/A N/A
Diclofenac PB2_A-H5N1 Polymerase basic protein 2 -6.53 -6.65 -8.28 N/A N/A
Fedratinib PB2_A-H5N1 Polymerase basic protein 2 -8.05 -7.85 -8.36 N/A N/A
Baricitinib PB2_INFB Polymerase basic protein 2 -7.32 N/A N/A N/A N/A
Ruxolitinib PB2_INFB Polymerase basic protein 2 -7.43 N/A N/A N/A N/A
Diclofenac PB2_INFB Polymerase basic protein 2 -7.56 N/A N/A N/A N/A
Fedratinib PB2_INFB Polymerase basic protein 2 -7.83 N/A N/A N/A N/A
Baricitinib PB3_A-H3N2 Polymerase basic protein 2 -7.79 N/A N/A N/A N/A
Ruxolitinib PB3_A-H3N2 Polymerase basic protein 2 -7.93 N/A N/A N/A N/A
Diclofenac PB3_A-H3N2 Polymerase basic protein 2 -7.54 N/A N/A N/A N/A
Fedratinib PB3_A-H3N2 Polymerase basic protein 2 -7.98 N/A N/A N/A N/A
Baricitinib PB4_A-H3N2 Polymerase basic protein 2 -7.52 N/A N/A N/A N/A
Ruxolitinib PB4_A-H3N2 Polymerase basic protein 2 -7.78 N/A N/A N/A N/A
Diclofenac PB4_A-H3N2 Polymerase basic protein 2 -7.61 N/A N/A N/A N/A
Fedratinib PB4_A-H3N2 Polymerase basic protein 2 -8.56 N/A N/A N/A N/A
Baricitinib PLP_SARS Replicase polyprotein 1a -7.68 -8.59 -9.19 20.61% CHEMBL225515
Ruxolitinib PLP_SARS Replicase polyprotein 1a -8.16 -8.55 -8.13 24.59% CHEMBL225515
Diclofenac PLP_SARS Replicase polyprotein 1a -7.29 -7.84 -7.97 32.59% CHEMBL358279
Fedratinib PLP_SARS Replicase polyprotein 1a -10.61 -10.33 -10.06 21.55% CHEMBL212454
Baricitinib PR_FCoV Replicase polyprotein 1ab -7.05 N/A N/A N/A N/A
Ruxolitinib PR_FCoV Replicase polyprotein 1ab -7.23 N/A N/A N/A N/A
Diclofenac PR_FCoV Replicase polyprotein 1ab -6.58 N/A N/A N/A N/A
Fedratinib PR_FCoV Replicase polyprotein 1ab -7.52 N/A N/A N/A N/A
Baricitinib PR_HCoV-229E Replicase polyprotein 1a -6.95 -6.68 N/A N/A N/A
Ruxolitinib PR_HCoV-229E Replicase polyprotein 1a -7.16 -6.84 N/A N/A N/A
Diclofenac PR_HCoV-229E Replicase polyprotein 1a -6.47 -6.00 N/A N/A N/A
Fedratinib PR_HCoV-229E Replicase polyprotein 1a -7.41 -7.47 N/A N/A N/A
Baricitinib PR_HCoV-NL63 Replicase polyprotein 1a -4.03 -7.15 N/A N/A N/A
Ruxolitinib PR_HCoV-NL63 Replicase polyprotein 1a -4.54 -7.27 N/A N/A N/A
Diclofenac PR_HCoV-NL63 Replicase polyprotein 1a -5.33 -6.76 N/A N/A N/A
Fedratinib PR_HCoV-NL63 Replicase polyprotein 1a -5.47 -7.76 N/A N/A N/A
Baricitinib PR_HIV1 Gag-Pol polyprotein -6.29 -6.76 -6.43 27.08% CHEMBL492666
Ruxolitinib PR_HIV1 Gag-Pol polyprotein -6.54 -6.42 -6.43 20.56% CHEMBL492666
Diclofenac PR_HIV1 Gag-Pol polyprotein -6.19 -6.09 -6.05 14.95% CHEMBL503401
Fedratinib PR_HIV1 Gag-Pol polyprotein -6.56 -7.29 -7.07 34.55% CHEMBL450294
Baricitinib PR_HIV2 Gag-Pol polyprotein -6.98 -6.87 N/A N/A N/A
Ruxolitinib PR_HIV2 Gag-Pol polyprotein -6.91 -6.04 N/A N/A N/A
Diclofenac PR_HIV2 Gag-Pol polyprotein -6.70 -5.84 N/A N/A N/A
Fedratinib PR_HIV2 Gag-Pol polyprotein -7.45 -7.52 N/A N/A N/A
Baricitinib PR_HKU1 Replicase polyprotein 1a -7.03 N/A N/A N/A N/A
Ruxolitinib PR_HKU1 Replicase polyprotein 1a -7.04 N/A N/A N/A N/A
Diclofenac PR_HKU1 Replicase polyprotein 1a -5.66 N/A N/A N/A N/A
Fedratinib PR_HKU1 Replicase polyprotein 1a -7.46 N/A N/A N/A N/A
Baricitinib PR_HKU4 Replicase polyprotein 1ab -7.26 -6.82 -6.91 N/A N/A
Ruxolitinib PR_HKU4 Replicase polyprotein 1ab -7.33 -7.70 -7.74 N/A N/A
Diclofenac PR_HKU4 Replicase polyprotein 1ab -6.05 -6.46 -6.31 N/A N/A
Fedratinib PR_HKU4 Replicase polyprotein 1ab -7.25 -7.86 -7.87 N/A N/A
Baricitinib PR_IBV Replicase polyprotein 1a -7.06 N/A N/A N/A N/A
Ruxolitinib PR_IBV Replicase polyprotein 1a -7.15 N/A N/A N/A N/A
Diclofenac PR_IBV Replicase polyprotein 1a -6.82 N/A N/A N/A N/A
Fedratinib PR_IBV Replicase polyprotein 1a -8.13 N/A N/A N/A N/A
Baricitinib PR_MERs 3C-like proteinase -6.81 -7.34 N/A N/A N/A
Ruxolitinib PR_MERs 3C-like proteinase -7.23 -7.89 N/A N/A N/A
Diclofenac PR_MERs 3C-like proteinase -6.96 -6.35 N/A N/A N/A
Fedratinib PR_MERs 3C-like proteinase -7.84 -7.81 N/A N/A N/A
Baricitinib PR_PEDV 3C-like proteinase -7.04 N/A N/A N/A N/A
Ruxolitinib PR_PEDV 3C-like proteinase -7.15 N/A N/A N/A N/A
Diclofenac PR_PEDV 3C-like proteinase -6.61 N/A N/A N/A N/A
Fedratinib PR_PEDV 3C-like proteinase -8.06 N/A N/A N/A N/A
Baricitinib PR_SARS Replicase polyprotein 1ab -7.68 -7.20 -7.44 19.40% CHEMBL2441741
Ruxolitinib PR_SARS Replicase polyprotein 1ab -7.04 -6.92 -7.02 18.56% CHEMBL2441741
Diclofenac PR_SARS Replicase polyprotein 1ab -6.26 -6.53 -6.40 16.90% CHEMBL221366
Fedratinib PR_SARS Replicase polyprotein 1ab -7.71 -8.09 -7.88 17.89% CHEMBL2441741
Baricitinib PR_SARS2 3C-like protease -7.33 N/A N/A N/A N/A
Ruxolitinib PR_SARS2 3C-like protease -7.16 N/A N/A N/A N/A
Diclofenac PR_SARS2 3C-like protease -6.47 N/A N/A N/A N/A
Fedratinib PR_SARS2 3C-like protease -8.01 N/A N/A N/A N/A
Baricitinib PR_TGEV Replicase polyprotein 1a -6.69 N/A N/A N/A N/A
Ruxolitinib PR_TGEV Replicase polyprotein 1a -6.88 N/A N/A N/A N/A
Diclofenac PR_TGEV Replicase polyprotein 1a -6.13 N/A N/A N/A N/A
Fedratinib PR_TGEV Replicase polyprotein 1a -7.64 N/A N/A N/A N/A
Baricitinib RT_HIV1 Gag-Pol polyprotein -8.05 -7.88 -8.20 31.44% CHEMBL4115572
Ruxolitinib RT_HIV1 Gag-Pol polyprotein -9.02 -9.58 -9.02 28.81% CHEMBL4227119
Diclofenac RT_HIV1 Gag-Pol polyprotein -9.68 -9.48 -9.63 27.46% CHEMBL4291913
Fedratinib RT_HIV1 Gag-Pol polyprotein -8.54 -8.38 -8.16 32.14% CHEMBL3683702
Baricitinib SPIKE_HCoV-229E Spike glycoprotein -5.21 N/A N/A N/A N/A
Ruxolitinib SPIKE_HCoV-229E Spike glycoprotein -4.68 N/A N/A N/A N/A
Diclofenac SPIKE_HCoV-229E Spike glycoprotein -4.68 N/A N/A N/A N/A
Fedratinib SPIKE_HCoV-229E Spike glycoprotein -5.84 N/A N/A N/A N/A
Baricitinib SPIKE_HCoV-NL63 Spike glycoprotein -5.52 N/A N/A N/A N/A
Ruxolitinib SPIKE_HCoV-NL63 Spike glycoprotein -5.58 N/A N/A N/A N/A
Diclofenac SPIKE_HCoV-NL63 Spike glycoprotein -5.41 N/A N/A N/A N/A
Fedratinib SPIKE_HCoV-NL63 Spike glycoprotein -6.07 N/A N/A N/A N/A
Baricitinib SPIKE_HCoV-OC43 Spike glycoprotein -6.60 N/A N/A N/A N/A
Ruxolitinib SPIKE_HCoV-OC43 Spike glycoprotein -6.77 N/A N/A N/A N/A
Diclofenac SPIKE_HCoV-OC43 Spike glycoprotein -6.04 N/A N/A N/A N/A
Fedratinib SPIKE_HCoV-OC43 Spike glycoprotein -7.19 N/A N/A N/A N/A
Baricitinib SPIKE_HKU4 Spike glycoprotein -6.71 N/A N/A N/A N/A
Ruxolitinib SPIKE_HKU4 Spike glycoprotein -6.69 N/A N/A N/A N/A
Diclofenac SPIKE_HKU4 Spike glycoprotein -6.53 N/A N/A N/A N/A
Fedratinib SPIKE_HKU4 Spike glycoprotein -6.51 N/A N/A N/A N/A
Baricitinib SPIKE_IBV Spike glycoprotein -5.78 N/A N/A N/A N/A
Ruxolitinib SPIKE_IBV Spike glycoprotein -6.48 N/A N/A N/A N/A
Diclofenac SPIKE_IBV Spike glycoprotein -5.81 N/A N/A N/A N/A
Fedratinib SPIKE_IBV Spike glycoprotein -7.26 N/A N/A N/A N/A
Baricitinib SPIKE_MERs Spike glycoprotein -6.65 -6.64 -5.22 N/A N/A
Ruxolitinib SPIKE_MERs Spike glycoprotein -6.72 -6.58 -5.33 N/A N/A
Diclofenac SPIKE_MERs Spike glycoprotein -6.50 -6.07 -5.06 N/A N/A
Fedratinib SPIKE_MERs Spike glycoprotein -7.03 -6.28 -6.38 N/A N/A
Baricitinib SPIKE_MHV Spike glycoprotein -6.36 N/A N/A N/A N/A
Ruxolitinib SPIKE_MHV Spike glycoprotein -6.91 N/A N/A N/A N/A
Diclofenac SPIKE_MHV Spike glycoprotein -6.21 N/A N/A N/A N/A
Fedratinib SPIKE_MHV Spike glycoprotein -7.74 N/A N/A N/A N/A
Baricitinib SPIKE_PDCoV Spike protein -6.42 N/A N/A N/A N/A
Ruxolitinib SPIKE_PDCoV Spike protein -5.92 N/A N/A N/A N/A
Diclofenac SPIKE_PDCoV Spike protein -5.58 N/A N/A N/A N/A
Fedratinib SPIKE_PDCoV Spike protein -7.00 N/A N/A N/A N/A
Baricitinib SPIKE_SARS Spike glycoprotein -6.68 -6.75 N/A N/A N/A
Ruxolitinib SPIKE_SARS Spike glycoprotein -6.74 -6.49 N/A N/A N/A
Diclofenac SPIKE_SARS Spike glycoprotein -5.74 -6.69 N/A N/A N/A
Fedratinib SPIKE_SARS Spike glycoprotein -6.78 -6.52 N/A N/A N/A
Baricitinib SPIKE_SARS2 Spike glycoprotein -5.70 N/A N/A N/A N/A
Ruxolitinib SPIKE_SARS2 Spike glycoprotein -5.79 N/A N/A N/A N/A
Diclofenac SPIKE_SARS2 Spike glycoprotein -5.58 N/A N/A N/A N/A
Fedratinib SPIKE_SARS2 Spike glycoprotein -6.62 N/A N/A N/A N/A