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TargetAldose reductase (AR)
LigandBDBM16239
Substrate/Competitorn/a
Meas. Tech.ChEMBL_457959
IC50 6±n/a nM
Citation Ferrari, AMDegliesposti, GSgobba, MRastelli, G Validation of an automated procedure for the prediction of relative free energies of binding on a set of aldose reductase inhibitors. Bioorg Med Chem15:7865-77 (2007) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Aldose reductase (AR)
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:
BDBM16239
NameBDBM16239
Synonyms:2-(5-chloro-2-{[(3-nitrophenyl)methyl]carbamoyl}phenoxy)acetic acid | CHEMBL241577 | IDD 393 | IDD393 (3) | {5-chloro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid
TypeSmall organic molecule
Emp. Form.C16H13ClN2O6
Mol. Mass.364.737
SMILESOC(=O)COc1cc(Cl)ccc1C(=O)NCc1cccc(c1)[N+]([O-])=O
Structure
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n/a