Target
Aldo-keto reductase family 1 member A1
Ligand
BDBM193859
Substrate
n/a
Meas. Tech.
ALR1 in vitro Inhibition Assay
pH
6.2±n/a
IC50
1.44e+4± 6.6e+2 nM
Comments
extracted
Citation
 Ibrar, ATehseen, YKhan, IHameed, ASaeed, AFurtmann, NBajorath, JIqbal, J Coumarin-thiazole and -oxadiazole derivatives: Synthesis, bioactivity and docking studies for aldose/aldehyde reductase inhibitors. Bioorg Chem 68:177-186 (2016) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member A1
Synonyms:
AK1A1_BOVIN | AKR1A1 | Aldehyde reductase (ALR1)
Type:
Protein
Mol. Mass.:
36620.67
Organism:
Bos taurus (Cattle)
Description:
n/a
Residue:
325
Sequence:
MAASCILLHTGQKMPLIGLGTWKSDPGQVKAAIKYALSVGYRHIDCAAIYGNETEIGEALKENVGPGKLVPREELFVTSKLWNTKHHPEDVEPALRKTLADLQLEYLDLYLMHWPYAFERGDSPFPKNADGTIRYDSTHYKETWRALEALVAKGLVRALGLSNFNSRQIDDVLSVASVRPAVLQVECHPYLAQNELIAHCQARNLEVTAYSPLGSSDRAWRDPEEPVLLKEPVVLALAEKHGRSPAQILLRWQVQRKVSCIPKSVTPSRILENIQVFDFTFSPEEMKQLDALNKNLRFIVPMLTVDGKRVPRDAGHPLYPFNDPY
  
Inhibitor
Name:
BDBM193859
Synonyms:
(E)-3-(2-(2-(1-(3-iodo-4-methoxyphenyl)ethylidene)hydrazinyl)thiazol-4-yl)-2H-chromen-2-one (6l)
Type:
Small organic molecule
Emp. Form.:
C21H16IN3O3S
Mol. Mass.:
517.34
SMILES:
COc1ccc(cc1I)C(\C)=N\Nc1nc(cs1)-c1cc2ccccc2oc1=O
Structure:
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