BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
Cell Reactant:BDBM4
Syringe Reactant:BDBM36147
Meas. Tech.:ITC
Entry Date:10/30/10
 
ΔG°:-5.61± (kJ/mole)
pH:7.2±0
Log10Kb:0.980± 0.0414
Temperature:298.15±0 (K)
ΔH° :-25.1±0.210 (kJ/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° : -0.0653± (kJ/mole-K)
Comments:First trial
 
Citation Inoue, YHakushi, TLiu, YTong, LHShen, BJJin, DS Thermodynamics of molecular recognition by cyclodextrins. 1. Calorimetric titration of inclusion complexation of naphthalenesulfonates with .alpha.-, .beta.-, and .gamma.-cyclodextrins: enthalpy-entropy compensation J Am Chem Soc115:475-481 (1993)    Article
More Info.:  Get all data from this article ,  ITC RUN data ,  Solution Info ,  Instrument Info
 
BDBM4
Source:10016-20-3
Purity:n/a
Prep. Method:n/a
NameBDBM4
Synonyms:(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2^{3,6}.2^{8,11}.2^{13,16}.2^{18,21}.2^{23,26}]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol | alpha-cyclodextrin
TypeMolecular Host
Emp. Form.C36H60O30
Mol. Mass.972.8436
SMILES[H]C12OC(CO)C([H])(OC3([H])OC(CO)C([H])(OC4([H])OC(CO)C([H])(OC5([H])OC(CO)C([H])(OC6([H])OC(CO)C([H])(OC7([H])OC(CO)C([H])(O1)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
BDBM36147
Source:n/a
Purity:n/a
Prep. Method:n/a
NameBDBM36147
Synonyms:2,7-naphthalenedisulfonate
TypeGuest
Emp. Form.C10H6O6S2
Mol. Mass.286.282
SMILES[O-]S(=O)(=O)c1ccc2ccc(cc2c1)S([O-])(=O)=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:

   
    

Home

|

Search

|

Deposit

|

SiteMap

|

About us

|

Email us

|

Info

 
Last update November 1, 2007
©2000 BindingDB. All rights reserved.