Cell Reactant:
BDBM11
Syringe Reactant:
BDBM36115
Meas. Tech.:
ITC
Entry Date.:
11/12/10
ΔG°:
-3.18±0.01 (kcal/mole)
pH:
6.9±0
Log10Kb:
0.6
Temperature:
298.15±0 (K)
ΔH° :
-2.28±0.02 (kJ/mole)
ΔS° :
0±0 (kJ/mole-K)
Comments:
First trial
Citation
 Rekharsky, MVInoue, Y Solvent and guest isotope effects on complexation thermodynamics of alpha-, beta-, and 6-amino-6-deoxy-beta-cyclodextrins. J Am Chem Soc 124:12361-71 (2002) [PubMed]  Article
Cell React
Source:
7585-39-9
Name:
BDBM11
Synonyms:
beta-cyclodextrin | betadex
Type:
Molecular Host
Emp. Form.:
C42H70O35
Mol. Mass.:
1134.9842
SMILES:
[H][C@]1(CO)O[C@]2([H])O[C@]3([H])[C@@]([H])(CO)O[C@]([H])(O[C@]4([H])[C@@]([H])(CO)O[C@]([H])(O[C@]5([H])[C@@]([H])(CO)O[C@]([H])(O[C@]6([H])[C@@]([H])(CO)O[C@]([H])(O[C@]7([H])[C@@]([H])(CO)O[C@]([H])(O[C@]8([H])[C@@]([H])(CO)O[C@]([H])(O[C@@]1([H])[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]8([H])O)[C@]([H])(O)[C@@]7([H])O)[C@]([H])(O)[C@@]6([H])O)[C@]([H])(O)[C@@]5([H])O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O
Structure:
Search PDB for entries with ligand similarity:
Syringe React
Name:
BDBM36115
Synonyms:
1-methyl-3-phenylpropylamine
Type:
Guest
Emp. Form.:
C10H16N
Mol. Mass.:
150.2402
SMILES:
CC([NH3+])CCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: