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For a full dataset and details of experiment click on the datum link or any thermodynamic datum in the table below.

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DatumProteinLigandΔG (kJ/mol)ΔH (kJ/mol)TΔS (kJ/mol)KD (µM)ΔCp (J/mol)
Link Major Urinary Protein I 2-(iso-propyl)-1,4-dihydrothiazole 2-(iso-propyl)-1,4-dihydrothiazole diagram
2-(iso-propyl)-1,4-dihydrothiazole 		-32.01 -48.12 -16.26 3.1 -0.46
Link Major Urinary Protein I 2-(iso-propyl)-1,4-dihydrothiazole 2-(iso-propyl)-1,4-dihydrothiazole diagram
2-(iso-propyl)-1,4-dihydrothiazole 		-31.25 -50.21 -19.34 5.0 -0.46
Link Major Urinary Protein I 2-(ethyl)-1,4-dihydrothiazole 2-(ethyl)-1,4-dihydrothiazole diagram
2-(ethyl)-1,4-dihydrothiazole 		-29.2 -41.46 -12.3 6.5 -0.19
Link Major Urinary Protein I 2-(ethyl)-1,4-dihydrothiazole 2-(ethyl)-1,4-dihydrothiazole diagram
2-(ethyl)-1,4-dihydrothiazole 		-29.0 -41.84 -12.87 8.5 -0.19
Link Major Urinary Protein I 2-(ethyl)-1,4-dihydrothiazole 2-(ethyl)-1,4-dihydrothiazole diagram
2-(ethyl)-1,4-dihydrothiazole 		-28.33 -43.6 -15.24 13.3 -0.19
Link Major Urinary Protein I 2-(ethyl)-1,4-dihydrothiazole 2-(ethyl)-1,4-dihydrothiazole diagram
2-(ethyl)-1,4-dihydrothiazole 		-27.91 -43.93 -15.27 18.9 -0.19
Link Major Urinary Protein I 2-(methyl)-1,4-dihydrothiazole 2-(methyl)-1,4-dihydrothiazole diagram
2-(methyl)-1,4-dihydrothiazole 		-24.23 -37.24 -13.38 49.0 -0.56
Link Major Urinary Protein I 2-(methyl)-1,4-dihydrothiazole 2-(methyl)-1,4-dihydrothiazole diagram
2-(methyl)-1,4-dihydrothiazole 		-23.47 -40.58 -17.48 78.0 -0.56
Link Major Urinary Protein I 2-(methyl)-1,4-dihydrothiazole 2-(methyl)-1,4-dihydrothiazole diagram
2-(methyl)-1,4-dihydrothiazole 		-23.22 -43.1 -20.31 101.0 -0.56
Link Major Urinary Protein I 2-(methyl)-1,4-dihydrothiazole 2-(methyl)-1,4-dihydrothiazole diagram
2-(methyl)-1,4-dihydrothiazole 		-22.64 -46.02 -22.17 147.0 -0.56
Link Serum Albumin 2-bromo-2-chloro-1,1,1-trifluoroethane 2-bromo-2-chloro-1,1,1-trifluoroethane diagram
2-bromo-2-chloro-1,1,1-trifluoroethane 		-15.7 -5.52 10.18 1631.32
Link Serum Albumin 2-bromo-2-chloro-1,1,1-trifluoroethane 2-bromo-2-chloro-1,1,1-trifluoroethane diagram
2-bromo-2-chloro-1,1,1-trifluoroethane 		-15.61 -6.05 9.57 1655.63
Link Serum Albumin 2,6-bis(1-methylethyl)phenol 2,6-bis(1-methylethyl)phenol diagram
2,6-bis(1-methylethyl)phenol 		-23.47 -21.75 1.72 65.45
Link Glutathione S-Transferase 26 Kda (Y7F) S-methylglutathione S-methylglutathione diagram
S-methylglutathione 		-26.21 -19.2 7.01 25.64 -1.32
Link Glutathione S-Transferase 26 Kda (Y7F) S-methylglutathione S-methylglutathione diagram
S-methylglutathione 		-25.53 -26.5 -0.97 40.0 -1.32
Link Glutathione S-Transferase 26 Kda (Y7F) S-methylglutathione S-methylglutathione diagram
S-methylglutathione 		-24.48 -32.4 -7.92 71.43 -1.32
Link Glutathione S-Transferase 26 Kda (Y7F) S-hexylglutathione S-hexylglutathione diagram
S-hexylglutathione 		-30.17 -31.3 -1.13 5.26 -1.14
Link Glutathione S-Transferase 26 Kda (Y7F) S-hexylglutathione S-hexylglutathione diagram
S-hexylglutathione 		-30.17 -36.9 -6.73 6.67 -1.14
Link Glutathione S-Transferase 26 Kda (Y7F) S-hexylglutathione S-hexylglutathione diagram
S-hexylglutathione 		-30.69 -42.4 -11.71 6.25 -1.14
Link Glutathione S-Transferase 26 Kda (Y7F) S-octylglutathione S-octylglutathione diagram
S-octylglutathione 		-32.55 -30.4 2.15 1.96 -0.74

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