SCORPIO version 2.0

Structure-Calorimetry Of Reported Protein Interactions Online

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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.

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Datum	Protein	Ligand	ΔG (kJ/mol)	ΔH (kJ/mol)	TΔS (kJ/mol)	KD (µM)	ΔCp (J/mol)
Link	HIV-1 Protease (M36I/S37N/R41K/H69K/V82F/I84V/L89M)	Indinavir Indinavir	-39.75	12.97	52.72	0.1
Link	HIV-1 Protease (M36I/S37N/R41K/H69K/V82F/I84V/L89M)	Saquinavir Saquinavir	-44.35	12.55	56.9	0.02
Link	HIV-1 Protease (M36I/S37N/R41K/H69K/V82F/I84V/L89M)	Nelfinavir mesylate ag1343 Nelfinavir mesylate ag1343	-45.19	17.57	62.76	0.01
Link	HIV-1 Protease (M36I/S37N/R41K/H69K/V82F/I84V/L89M)	Ritonavir Ritonavir	-41.0	-4.6	36.4	0.06
Link	HIV-1 Protease (M36I/S37N/R41K/H69K/V82F/I84V/L89M)	KNI-764 KNI-764	-53.97	-25.1	28.87	0.0
Link	HIV-1 Protease (I13V/E35D/M36I/S37N/R41K/R57K/H69K/V82F/I84V/L89M)	Indinavir Indinavir	-38.49	12.13	50.63	0.19
Link	HIV-1 Protease (I13V/E35D/M36I/S37N/R41K/R57K/H69K/V82F/I84V/L89M)	Saquinavir Saquinavir	-43.51	12.13	55.65	0.02
Link	HIV-1 Protease (I13V/E35D/M36I/S37N/R41K/R57K/H69K/V82F/I84V/L89M)	Nelfinavir mesylate ag1343 Nelfinavir mesylate ag1343	-44.35	17.15	61.5	0.02
Link	HIV-1 Protease (I13V/E35D/M36I/S37N/R41K/R57K/H69K/V82F/I84V/L89M)	Ritonavir Ritonavir	-40.58	-5.02	35.56	0.08
Link	HIV-1 Protease (I13V/E35D/M36I/S37N/R41K/R57K/H69K/V82F/I84V/L89M)	KNI-764 KNI-764	-53.14	-25.1	28.03	0.0

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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