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. 2012 Feb 16;7(2):e32070. doi: 10.1371/journal.pone.0032070

Table 1. Binding, physical, and activity data for barbiturates.

Thiopental Pentobarbital Phenobarbital
Dissociation constant K d for apoferritin binding (µM) 11.0±0.9 64.3±5.5 672±27
Enthalpy of binding to apoferritin (kcal/mol)a −7.3±0.4 −4.4±0.7
apoferritin cavity volume (Å3) 388.6 407.6
Ligand volume (Å3) 223.9 210.5 211.3
Packing density 0.58 0.52
EC50 for anesthesia (µM) 25b 50b 590c
EC50 for GABA potentiation (µM) 20d 30–60d , e , f 300–900e , f
logPg 2.9 2.1 1.5

aBecause of the low affinity of phenobarbital for apoferritin, it was not possible to obtain a satisfactory estimate of the molar binding enthalpy.

b [16].

c [41].

d [42].

e [43].

f [44].

gCalculated using XLOGP3 [45].