Reaction Details
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Aldo-keto reductase family 1 member A1
Ligand
BDBM193864
Substrate
n/a
Meas. Tech.
ALR1 in vitro Inhibition Assay
pH
6.2±n/a
IC50
3.36e+3± 1.34e+3 nM
Comments
extracted
Citation
Ibrar, A; Tehseen, Y; Khan, I; Hameed, A; Saeed, A; Furtmann, N; Bajorath, J; Iqbal, J Coumarin-thiazole and -oxadiazole derivatives: Synthesis, bioactivity and docking studies for aldose/aldehyde reductase inhibitors. Bioorg Chem 68:177-186 (2016) [PubMed] Article More Info.:
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:
BDBM193864
Synonyms:
3-(4-((Butylamino)methyl)-5-thioxo-4,5-dihydro-1,3,4-oxadiazol- 2-yl)-2H-chromen-2-one (11b)
Type:
Small organic molecule
Emp. Form.:
C16H17N3O3S
Mol. Mass.:
331.389
SMILES:
CCCCNCn1nc(oc1=S)-c1cc2ccccc2oc1=O
Structure:
