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TargetAldehyde reductase
LigandBDBM16314
Substrate/Competitorn/a
Meas. Tech.ChEMBL_640041
IC50 720±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
 
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:
BDBM16314
NameBDBM16314
Synonyms:2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-N-methylmethanethioamido}acetic acid | Alredase | CHEMBL436 | N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonothioyl}-N-methylglycine | Tolrestat
TypeSmall organic molecule
Emp. Form.C16H14F3NO3S
Mol. Mass.357.347
SMILESCOc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a