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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 Alpha-Thrombin {[(1r)-2-((2s)-2-{[(3-{[amino(imino)methyl]amino}propyl)amino]carbonyl}piperidinyl)-1-(cyclohexylmethyl)-2-oxoethyl]amino}acetic acid {[(1r)-2-((2s)-2-{[(3-{[amino(imino)methyl]amino}propyl)amino]carbonyl}piperidinyl)-1-(cyclohexylmethyl)-2-oxoethyl]amino}acetic acid diagram
{[(1r)-2-((2s)-2-{[(3-{[amino(imino)methyl]amino}propyl)amino]carbonyl}piperidinyl)-1-(cyclohexylmethyl)-2-oxoethyl]amino}acetic acid 		-2.22
Link Alpha-Thrombin {[(1r)-2-((2s)-2-{[(3-{[amino(imino)methyl]amino}propyl)amino]carbonyl}piperidinyl)-1-(cyclohexylmethyl)-2-oxoethyl]amino}acetic acid {[(1r)-2-((2s)-2-{[(3-{[amino(imino)methyl]amino}propyl)amino]carbonyl}piperidinyl)-1-(cyclohexylmethyl)-2-oxoethyl]amino}acetic acid diagram
{[(1r)-2-((2s)-2-{[(3-{[amino(imino)methyl]amino}propyl)amino]carbonyl}piperidinyl)-1-(cyclohexylmethyl)-2-oxoethyl]amino}acetic acid 		-2.64
Link Alpha-Thrombin [((1r)-2-{(2s)-2-[({4-[amino(imino)methyl]benzyl}amino)carbonyl]azetidinyl}-1-cyclohexyl-2-oxoethyl)amino]acetic acid [((1r)-2-{(2s)-2-[({4-[amino(imino)methyl]benzyl}amino)carbonyl]azetidinyl}-1-cyclohexyl-2-oxoethyl)amino]acetic acid diagram
[((1r)-2-{(2s)-2-[({4-[amino(imino)methyl]benzyl}amino)carbonyl]azetidinyl}-1-cyclohexyl-2-oxoethyl)amino]acetic acid 		-2.28
Link Alpha-Thrombin [((1r)-2-{(2s)-2-[({4-[amino(imino)methyl]benzyl}amino)carbonyl]azetidinyl}-1-cyclohexyl-2-oxoethyl)amino]acetic acid [((1r)-2-{(2s)-2-[({4-[amino(imino)methyl]benzyl}amino)carbonyl]azetidinyl}-1-cyclohexyl-2-oxoethyl)amino]acetic acid diagram
[((1r)-2-{(2s)-2-[({4-[amino(imino)methyl]benzyl}amino)carbonyl]azetidinyl}-1-cyclohexyl-2-oxoethyl)amino]acetic acid 		-2.84
Link Ribonuclease A 3'-uridinemonophosphate 3'-uridinemonophosphate diagram
3'-uridinemonophosphate 		-29.29 -57.74 -28.45 9.7
Link Ribonuclease A 3'-uridinemonophosphate 3'-uridinemonophosphate diagram
3'-uridinemonophosphate 		-25.1 -49.37 -24.27 54.0
Link Ribonuclease A (K7A/R10A/K66A) 3'-uridinemonophosphate 3'-uridinemonophosphate diagram
3'-uridinemonophosphate 		-25.52 -42.26 -17.15 47.0
Link Ribonuclease A (K7A/R10A/K66A) 3'-uridinemonophosphate 3'-uridinemonophosphate diagram
3'-uridinemonophosphate 		-22.18 -39.33 -17.15 150.0
Link v-Src SH2 Domain (variant 1) pYEEI pYEEI diagram
pYEEI 		-37.7 -25.36 12.35 0.24
Link v-Src SH2 Domain (variant 1) ptc-EEI ptc-EEI diagram
ptc-EEI 		-39.96 -18.74 21.21 0.1 -0.94
Link v-Src SH2 Domain (variant 1) xx2ptc-EEI xx2ptc-EEI diagram
xx2ptc-EEI 		-41.0 -30.67 10.35 0.06 -0.89
Link v-Src SH2 Domain (variant 1) xx1ptc-EEI xx1ptc-EEI diagram
xx1ptc-EEI 		-38.74 -20.96 17.84 0.16
Link v-Src SH2 Domain (variant 1) xx3ptc-EEI xx3ptc-EEI diagram
xx3ptc-EEI 		-40.67 -28.95 11.73 0.07
Link Beta-Glucosidase 1-deoxynojirimycin 1-deoxynojirimycin diagram
1-deoxynojirimycin 		-33.3 -47.24 -13.93 4.76 -0.51
Link Beta-Glucosidase 1-deoxynojirimycin 1-deoxynojirimycin diagram
1-deoxynojirimycin 		-29.66 -52.51 -22.84 7.14 -0.51
Link Beta-Glucosidase 1-deoxynojirimycin 1-deoxynojirimycin diagram
1-deoxynojirimycin 		-29.25 -33.18 -3.93 9.09 -0.51
Link Beta-Glucosidase 1-deoxynojirimycin 1-deoxynojirimycin diagram
1-deoxynojirimycin 		-26.74 -26.44 0.38 23.26 -0.51
Link Beta-Glucosidase 1-deoxynojirimycin 1-deoxynojirimycin diagram
1-deoxynojirimycin 		-26.53 -36.36 -9.83 35.71 -0.51
Link Beta-Glucosidase 5-hydroxymethyl-3,4-dihydroxypiperidine 5-hydroxymethyl-3,4-dihydroxypiperidine diagram
5-hydroxymethyl-3,4-dihydroxypiperidine 		-44.48 -40.5 3.97 0.02 -0.21
Link Beta-Glucosidase 5-hydroxymethyl-3,4-dihydroxypiperidine 5-hydroxymethyl-3,4-dihydroxypiperidine diagram
5-hydroxymethyl-3,4-dihydroxypiperidine 		-46.65 -43.18 3.47 0.03 -0.21

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