Reaction Details
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Aldo-keto reductase family 1 member A1
Ligand
BDBM193861
Substrate
n/a
Meas. Tech.
ALR1 in vitro Inhibition Assay
pH
6.2±n/a
IC50
1.71e+4± 1.02e+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:
BDBM193861
Synonyms:
3-(2-(2-(diphenylmethylene)hydrazinyl)thiazol-4-yl)-2Hchromen-2-one (6n)
Type:
Small organic molecule
Emp. Form.:
C25H17N3O2S
Mol. Mass.:
423.486
SMILES:
O=c1oc2ccccc2cc1-c1csc(-[#7]\[#7]=[#6](\c2ccccc2)-c2ccccc2)n1
Structure:
