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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 2-isopropyl-3-methoxypyrazine 2-isopropyl-3-methoxypyrazine diagram
2-isopropyl-3-methoxypyrazine 		-33.89 -44.54 -10.65 1.8
Link Major Urinary Protein 2-isobutyl-3-methoxypyrazine 2-isobutyl-3-methoxypyrazine diagram
2-isobutyl-3-methoxypyrazine 		-38.5 -47.89 -9.39 0.3
Link Nucleoside Diphosphate Kinase (variant 1) 3'-deoxyadenosine-5'-diphosphate 3'-deoxyadenosine-5'-diphosphate diagram
3'-deoxyadenosine-5'-diphosphate 		-19.75 -10.04 9.62 303.03
Link Nucleoside Diphosphate Kinase (variant 1) 3'-deoxy 3'-amino adenosine-5'-diphosphate 3'-deoxy 3'-amino adenosine-5'-diphosphate diagram
3'-deoxy 3'-amino adenosine-5'-diphosphate 		-17.28 -2.51 14.64 833.33
Link Nucleoside Diphosphate Kinase (variant 1) Phosphoaminophosphonic acid-adenylate ester Phosphoaminophosphonic acid-adenylate ester diagram
Phosphoaminophosphonic acid-adenylate ester 		-20.33 -2.51 17.99 238.1
Link Nucleoside Diphosphate Kinase (variant 1) 3'-azido-3'-deoxythymidine-5'-diphosphate 3'-azido-3'-deoxythymidine-5'-diphosphate diagram
3'-azido-3'-deoxythymidine-5'-diphosphate 		-17.07 -13.81 3.35 909.09
Link Trypsin Benzamidine Benzamidine diagram
Benzamidine 		-26.9 -17.0 9.9 16.13 -0.4
Link Trypsin Benzamidine Benzamidine diagram
Benzamidine 		-26.6 -18.9 7.7 22.22 -0.4
Link Trypsin Benzamidine Benzamidine diagram
Benzamidine 		-26.7 -21.4 5.4 24.39 -0.4
Link Trypsin Benzamidine Benzamidine diagram
Benzamidine 		-26.7 -23.7 3.0 32.26 -0.4
Link Trypsin Benzamidine-para-amide Benzamidine-para-amide diagram
Benzamidine-para-amide 		-29.3 -24.1 5.2 5.95 -0.52
Link Trypsin Benzamidine-para-amide Benzamidine-para-amide diagram
Benzamidine-para-amide 		-29.1 -26.9 2.2 7.87 -0.52
Link Trypsin Benzamidine-para-amide Benzamidine-para-amide diagram
Benzamidine-para-amide 		-29.1 -30.2 -1.4 9.71 -0.52
Link Trypsin Benzamidine-para-amide Benzamidine-para-amide diagram
Benzamidine-para-amide 		-28.8 -33.0 -4.2 14.08 -0.52
Link Trypsin Benzamidine-para-methyl Benzamidine-para-methyl diagram
Benzamidine-para-methyl 		-27.5 -16.7 10.8 12.56 -0.42
Link Trypsin Benzamidine-para-methyl Benzamidine-para-methyl diagram
Benzamidine-para-methyl 		-27.6 -18.5 9.1 14.41 -0.42
Link Trypsin Benzamidine-para-methyl Benzamidine-para-methyl diagram
Benzamidine-para-methyl 		-27.5 -20.7 6.8 18.05 -0.42
Link Trypsin Benzamidine-para-methyl Benzamidine-para-methyl diagram
Benzamidine-para-methyl 		-27.4 -23.8 3.6 24.21 -0.42
Link Trypsin Benzamidine-para-methoxyl Benzamidine-para-methoxyl diagram
Benzamidine-para-methoxyl 		-24.9 -14.2 10.7 36.9 -0.42
Link Trypsin Benzamidine-para-methoxyl Benzamidine-para-methoxyl diagram
Benzamidine-para-methoxyl 		-25.3 -15.7 9.6 37.74 -0.42

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