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TargetAldose reductase (AR)
LigandBDBM16452
Substrate/Competitorn/a
Meas. Tech.ChEMBL_640040
IC50 60±n/a nM
Citation Endo, SMatsunaga, TKuwata, KZhao, HTEl-Kabbani, OKitade, YHara, A Chromene-3-carboxamide derivatives discovered from virtual screening as potent inhibitors of the tumour maker, AKR1B10. Bioorg Med Chem18:2485-90 (2010) [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:
BDBM16452
NameBDBM16452
Synonyms:(4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3,4-dihydrophthalazin-1-yl)acetic acid | 2-(4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3,4-dihydrophthalazin-1-yl)acetic acid | Alond | CHEMBL10372 | Xedia | Zopolrestat
TypeSmall organic molecule
Emp. Form.C19H12F3N3O3S
Mol. Mass.419.377
SMILESOC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a