BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
Cell Reactant:Aldose reductase (AR)
Syringe Reactant:BDBM16313
Meas. Tech.:Isothermal Titration Calorimetry
Entry Date:07/02/07
 
ΔG°:-40.9± (kJ/mole)
pH:n/a
Log10Kb:7.17± 6.57
Temperature:298±n/a (K)
ΔH° :n/a
ΔHobs:n/a
Ionic Strength:n/a
Corrected for ΔHioniz:yes
Protons Released:n/a
ΔCp :n/a
Stoich. Param.:n/a
ΔS° :n/a
Comments:n/a
 
Citation Steuber, HZentgraf, MPodjarny, AHeine, AKlebe, G High-resolution crystal structure of aldose reductase complexed with the novel sulfonyl-pyridazinone inhibitor exhibiting an alternative active site anchoring group. J Mol Biol356:45-56 (2006) [PubMed]  Article
More Info.:  Get all data from this article ,  ITC RUN data ,  Solution Info ,  Data Fit Method ,  Instrument Info
 
Aldose reductase (AR)
Source:Protein was expressed and purified from E. coli.
Purity:n/a
Prep. Method:The protein was saturated with an excess of NADP+. Solution was degassed at 293K under vacuum for 10 min. Upon experimental setup, the protein solution in the sample cell was stirred at 400 rpm.
Name:Aldose reductase
Synonyms:AR | Aldo-keto reductase family 1 member B1 (AKR1B1) | Aldose Reductase (ALR2) | Aldose reductase
Type:Protein
Mol. Mass.:35855.50
Organism:Homo sapiens (Human)
Description:P15121. 4LAU; 2IKI; 4LB4; 2FZD; 2FZ8; 1US0
Residue:316
Sequence:
MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQ
EKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGK
EFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKP
AVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAK
HNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVCA
LLSCTSHKDYPFHEEF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM16313
Source:A gift from the Institute of Diabetes Discovery, Inc., Branford, CT.
Purity:n/a
Prep. Method:n/a
NameBDBM16313
Synonyms:2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamothioyl}-5-fluorophenoxy)acetic acid | CHEMBL395347 | IDD 594 | IDD594 | LdT | {2-[(4-bromo-2-fluorobenzyl)carbamothioyl]-5-fluorophenoxy}acetic acid
TypeSmall organic molecule
Emp. Form.C16H12BrF2NO3S
Mol. Mass.416.237
SMILESOC(=O)COc1cc(F)ccc1C(=S)NCc1ccc(Br)cc1F
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.