Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Aldo-keto reductase family 1 member A1
Ligand
BDBM193862
Substrate
n/a
Meas. Tech.
ALR1 in vitro Inhibition Assay
pH
6.2±n/a
IC50
8.91e+3± 9.6e+2 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:
BDBM193862
Synonyms:
Coumarin-thiazole series I, 6o
Type:
Small organic molecule
Emp. Form.:
C23H15N3O4S
Mol. Mass.:
429.448
SMILES:
C\C(=N/Nc1nc(cs1)-c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O
Structure:
