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Reaction Details
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Cell Reactant:BDBM11
Syringe Reactant:BDBM50091035
Meas. Tech.:ITC
Entry Date:10/07/10
 
ΔG°:-1.41±0.260 (kcal/mole)
pH:6.9±0
Log10Kb:1.04± 0.130
Temperature:298±0 (K)
ΔH° :-1.36±0.430 (kcal/mole)
ΔHobs:n/a
Ionic Strength:n/a
Corrected for ΔHioniz:n/a
Protons Released:n/a
ΔCp :n/a
Stoich. Param.:n/a
ΔS° :0±0 (kcal/mole-K)
Comments:First trial
 
Citation Rekharsky, BDGoldberg, RNSchwarz, FPTewari, YBRoss, PDYamashoji, YInoue, Y Thermodynamic and Nuclear Magnetic Resonance Study of the Interactions of alpha-and beta-Cyclodextrin with Model Substances: Phenethylamine, Ephedrines, and Related Substances J Am Chem Soc117:8830-40 (1995)  
More Info.:  Get all data from this article ,  ITC RUN data ,  Solution Info ,  Instrument Info
 
BDBM11
Source:7585-39-9 (Sigma)
Purity:n/a
Prep. Method:n/a
NameBDBM11
Synonyms:beta-cyclodextrin | betadex
TypeMolecular 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
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BDBM50091035
Source:n/a
Purity:n/a
Prep. Method:n/a
NameBDBM50091035
Synonyms:2-(4-Hydroxy-3-methoxy-phenyl)-ethyl-ammonium(3-methoxytyramine) | 3-O-methyldopamine
TypeSmall organic molecule
Emp. Form.C9H14NO2
Mol. Mass.168.2124
SMILESCOc1cc(CC[NH3+])ccc1O
Structure
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