Reaction Details  Report a problem with these data
Cell Reactant:
Aldose reductase (AR)
Syringe Reactant:
BDBM16235
Meas. Tech.:
Isothermal Titration Calorimetry
Entry Date.:
2007-06-09
ΔG°:
-7.49±n/a (kcal/mole)
pH:
8.0000±n/a
Log10Kb:
5
Temperature:
298.0000±n/a (K)
ΔHobs :
-2.08±0.24 (kJ/mole)
Corrected for ΔHioniz:
no
ΔS° :
0.02±n/a (kJ/mole-K)
Citation
 Steuber, H; Heine, A; Klebe, G Structural and thermodynamic study on aldose reductase: nitro-substituted inhibitors with strong enthalpic binding contribution. J Mol Biol 368:618-38 (2007) [PubMed]  Article
Cell React
Source:
Protein was expressed and purified from E. coli.
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:
Aldo-keto reductase family 1 member B1
Synonyms:
AR | Aldose reductase | Aldose Reductase (ALR2) | Aldo-keto reductase family 1 member B1 (AKR1B1) | ALDR_HUMAN | AKR1B1 | ALDR1 | ALR2 | Aldose reductase (AR)
Type:
Protein
Mol. Mass.:
35855.50
Organism:
Human
Description:
P15121. 4LAU; 2IKI; 4LB4; 2FZD; 2FZ8; 1US0
Residue:
316
Sequence:
MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQEKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGKEFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKPAVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAKHNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVCALLSCTSHKDYPFHEEF
  
Syringe React
Source:
Compound was purchased from Chempur, Karlsruhe, Germany.
Name:
BDBM16235
Synonyms:
2-{[5-(5-nitrofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid | Ligand 2 | {[5-(5-nitrofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid | JFD00882
Type:
Small organic molecule
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity: