Target
Aldo-keto reductase family 1 member A1
Ligand
BDBM50003616
Substrate
n/a
Meas. Tech.
ALR1 in vitro Inhibition Assay
pH
6.2±n/a
IC50
5.74e+4± 8.9e+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:
BDBM50003616
Synonyms:
2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n-propylessigsaeure | VALPROIC ACID | Valproinsaeure | dipropylacetic acid | n-DPA
Type:
Small organic molecule
Emp. Form.:
C8H16O2
Mol. Mass.:
144.2114
SMILES:
CCCC(CCC)C(O)=O
Structure:
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