Reaction Details  Report a problem with these data
Cell Reactant:
BDBM36250
Syringe Reactant:
BDBM50216627
Meas. Tech.:
ITC
Entry Date.:
2010-12-08
ΔG°:
-13.8200±0.0600 (kJ/mole)
pH:
7.0000±0.0000
Log10Kb:
1.8
Temperature:
303.2500±0.0000 (K)
ΔH° :
-17.2900±0.1800 (kJ/mole)
ΔS° :
-0.0117±0.0007 (kJ/mole-K)
Comments:
First trial
Citation
 Carrazana, J; Jover, A; Meijide, F; Soto, VH; Vazquez Tato, J Complexation of adamantyl compounds by beta-cyclodextrin and monoaminoderivatives. J Phys Chem B 109:9719-26 (2005) [PubMed]  Article
Cell React
Name:
BDBM36250
Synonyms:
3-NH2-beta-cyclodextrin
Type:
Molecular Host
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
N[C@@H]1[C@@H](O)[C@@H]2O[C@H](CO)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O2)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]1O
Structure:
Search PDB for entries with ligand similarity:
Syringe React
Name:
BDBM50216627
Synonyms:
(alpha-methyl-1-adamantyl)methylamine | CHEMBL959 | 1-Adamantan-1-yl-ethylamine | rimantadin | rimantidin | RIMANTADINE | US11241393, Rimantadine
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
C[C@H](C12CC3CC(C1)CC(C3)C2)N
Structure:
Search PDB for entries with ligand similarity: