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TargetAldehyde reductase
LigandBDBM50049730
Substrate/Competitorn/a
Meas. Tech.ChEMBL_800762
IC50 2600±n/a nM
Citation Minehira, DTakeda, DUrata, HKato, AAdachi, IWang, XMatsuya, YSugimoto, KTakemura, MEndo, SMatsunaga, THara, AKoseki, JNarukawa, KHirono, SToyooka, N Design, synthesis, and biological evaluation of novel (1-thioxo-1,2,3,4-tetrahydro-ß-carbolin-9-yl)acetic acids as selective inhibitors for AKR1B1. Bioorg Med Chem20:356-67 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Aldehyde reductase
Name:Aldehyde reductase
Synonyms:Alcohol dehydrogenase [NADP+] | Aldehyde Reductase (ALR1) | Aldo-keto reductase family 1 member A1
Type:Enzyme
Mol. Mass.:36574.11
Organism:Homo sapiens (Human)
Description:n/a
Residue:325
Sequence:
MAASCVLLHTGQKMPLIGLGTWKSEPGQVKAAVKYALSVGYRHIDCAAIYGNEPEIGEAL
KEDVGPGKAVPREELFVTSKLWNTKHHPEDVEPALRKTLADLQLEYLDLYLMHWPYAFER
GDNPFPKNADGTICYDSTHYKETWKALEALVAKGLVQALGLSNFNSRQIDDILSVASVRP
AVLQVECHPYLAQNELIAHCQARGLEVTAYSPLGSSDRAWRDPDEPVLLEEPVVLALAEK
YGRSPAQILLRWQVQRKVICIPKSITPSRILQNIKVFDFTFSPEEMKQLNALNKNWRYIV
PMLTVDGKRVPRDAGHPLYPFNDPY
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50049730
NameBDBM50049730
Synonyms:2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid | CHEMBL56337 | Epalrestat | {5-[(E)-2-Methyl-3-phenyl-prop-2-en-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-acetic acid
TypeSmall organic molecule
Emp. Form.C15H13NO3S2
Mol. Mass.319.399
SMILESC\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a