Cell Reactant:
BDBM11
Syringe Reactant:
BDBM36145
Meas. Tech.:
ITC
Entry Date.:
10/22/10
ΔG°:
-18.464±0.126 (kJ/mole)
pH:
6.9±0
Log10Kb:
1.7
Temperature:
308.15±0 (K)
ΔH° :
-13.063±0.126 (kJ/mole)
ΔS° :
0.0176±0.0004 (kJ/mole-K)
Comments:
First trial
Citation
 Ross, PDRekharsky, MV Thermodynamics of hydrogen bond and hydrophobic interactions in cyclodextrin complexes. Biophys J 71:2144-54 (1996) [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:
BDBM36145
Synonyms:
cis-4-Methylcyclohexanol
Type:
Guest
Emp. Form.:
C7H14O
Mol. Mass.:
114.1855
SMILES:
C[C@H]1CC[C@@H](O)CC1 |r,wU:1.0,4.4,(1.33,-2.31,;1.33,-.77,;;,1.54,;1.33,2.31,;1.33,3.85,;2.67,1.54,;2.67,,)|
Structure:
Search PDB for entries with ligand similarity: