Reaction Details  Report a problem with these data
Cell Reactant:
BDBM36171
Syringe Reactant:
BDBM36165
Meas. Tech.:
ITC
Entry Date.:
11/05/10
ΔG°:
-21.03±0.04 (kJ/mole)
pH:
7.2±0
Log10Kb:
1.9
Temperature:
298.15±0 (K)
ΔH° :
-24.9±0.16 (kJ/mole)
ΔS° :
-0.013±n/a (kJ/mole-K)
Comments:
First trial
Citation
 Liu, Y; Yang, YW; Cao, R; Song, SH; Zhang, HY; Wang, LH Thermodynamic Origin of Molecular Selective Binding of Bile Salts by Aminated β-Cyclodextrins J Phys Chem B 107:14130 (2003)    Article
Cell React
Name:
BDBM36171
Synonyms:
mono(6-carboxymethylamino-6-deoxy)-beta-cyclodextrin
Type:
Molecular Host
Emp. Form.:
C44H73NO36
Mol. Mass.:
1192.0355
SMILES:
OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CNCC(O)=O)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]1[C@H](O)[C@H]2O
Structure:
Search PDB for entries with ligand similarity:
Syringe React
Name:
BDBM36165
Synonyms:
cholate (CA)
Type:
Guest
Emp. Form.:
C24H39O5
Mol. Mass.:
407.564
SMILES:
CC(CCC([O-])=O)[C@H]1CCC2C3[C@@H](O)CC4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C
Structure:
Search PDB for entries with ligand similarity: