Cell Reactant:
BDBM36123
Syringe Reactant:
BDBM36120
Meas. Tech.:
ITC
Entry Date.:
10/22/10
pH:
6.9±0
Log10Kb:
0.5
Temperature:
298.15±0 (K)
ΔH° :
-12.79±0.1 (kJ/mole)
ΔS° :
0.0007±0.0005 (kJ/mole-K)
Comments:
First trial
Citation
 Rekharsky , MYamamura, HKawai, MInoue, Y Critical Difference in Chiral Recognition of N-Cbz-d/l-aspartic and -glutamic Acids by Mono- and Bis(Trimethylammonio)-β-cyclodextrins J Am Chem Soc 123:5360-5361 (2000)  
Cell React
Name:
BDBM36123
Synonyms:
AB-TMA2-beta-cyclodextrin
Type:
Molecular Host
Emp. Form.:
C48H86N2O33
Mol. Mass.:
1219.1889
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])(C[N+](C)(C)C)O[C@]([H])(O[C@]6([H])[C@@]([H])(C[N+](C)(C)C)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:
BDBM36120
Synonyms:
Cbz-L-Glu | Z-L-Glu
Type:
Guest
Emp. Form.:
C13H15NO6
Mol. Mass.:
281.2613
SMILES:
OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: