Reaction Details  Report a problem with these data
Cell Reactant:
BDBM36127
Syringe Reactant:
BDBM50216627
Meas. Tech.:
ITC
Entry Date.:
12/08/10
ΔG°:
-5.95±0.02 (kcal/mole)
pH:
7±0
Log10Kb:
2.8
Temperature:
303.25±0 (K)
ΔH° :
-5.99±0.03 (kJ/mole)
ΔS° :
-0±0 (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:
BDBM36127
Synonyms:
6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6-NH2-beta-cyclodextrin | mono(6-amino-6-deoxy)-beta-cyclodextrin
Type:
Molecular Host
Emp. Form.:
C42H72NO34
Mol. Mass.:
1135.0068
SMILES:
[NH3+]C[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[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
Structure:
Search PDB for entries with ligand similarity:
Syringe React
Name:
BDBM50216627
Synonyms:
(alpha-methyl-1-adamantyl)methylamine | 1-Adamantan-1-yl-ethylamine | CHEMBL959 | RIMANTADINE | US11241393, Rimantadine | rimantadin | rimantidin
Type:
Small organic molecule
Emp. Form.:
C12H21N
Mol. Mass.:
179.3018
SMILES:
CC(N)C12CC3CC(CC(C3)C1)C2 |TLB:10:5:12:9.8.11,10:9:12:6.5.4,THB:4:5:8:12.3.11,4:3:6.5.10:8,1:3:6.5.10:8|
Structure:
Search PDB for entries with ligand similarity: