SCORPIO

ITC

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Browse ITC data

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

Datum	Protein	Ligand	ΔG (kJ/mol)	ΔH (kJ/mol)	TΔS (kJ/mol)	K_D (µM)	ΔC_p (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					-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					-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					-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					-2.84
Link	DNA Gyrase B N-Terminal 24 Kda Fragment (variant 1)	Clorobiocin Clorobiocin	-51.0	-39.6	11.4	0.0	-1.46
Link	DNA Gyrase B N-Terminal 24 Kda Fragment (variant 1)	clorobiocin-version-ru64135 clorobiocin-version-ru64135	-40.3	-18.9	21.4	0.08	-0.83
Link	DNA Gyrase B N-Terminal 24 Kda Fragment (variant 1)	clorobiocin-version-ru64136 clorobiocin-version-ru64136	-35.1	-18.0	17.1	0.71	-0.62
Link	DNA Gyrase B N-Terminal 24 Kda Fragment (variant 2)	Novobiocin Novobiocin	-42.34	-38.92	3.41	0.02
Link	DNA Gyrase B N-Terminal 24 Kda Fragment (variant 2)	Clorobiocin Clorobiocin	-40.94	-36.78	4.16	0.04
Link	Oligo-Peptide Binding Protein	KAK KAK	-41.1	20.1	61.1	0.06

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Disclaimer

This is an ongoing project and, although SCORPIO has been curated with great care, it may contain errors. If you spot an error please contact us. We take no responsibility for the data within SCORPIO, nor any responsibility for the consequences of using the data within SCORPIO. No contract, warranty or liability is implied by using the data within SCORPIO.

If you make use of SCORPIO please cite J. Mol. Biol. [2008] 384, 1002-1017
Tjelvar S. G. Olsson, Mark A. Williams, Will R. Pitt and John E. Ladbury