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Target
Aldo-keto reductase family 1 member B1 [K65Q]
Ligand
BDBM50012899
Substrate
n/a
Meas. Tech.
ALR2 in vitro Inhibition Assay
IC50
293± 8e+1 nM
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 
Target
Name:
Aldo-keto reductase family 1 member B1 [K65Q]
Synonyms:
AKR1B1 | ALDR_BOVIN | Aldose reductase
Type:
Protein
Mol. Mass.:
35916.27
Organism:
Bos taurus (Cattle)
Description:
P16116[K65Q]
Residue:
315
Sequence:
AHNIVLYTGAKMPILGLGTWKSPPGKVTEAVKVAIDLGYRHIDCAHVYQNENEVGLALQAKLQEQVVKREDLFIVSKLWCTYHDKDLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGKDFFPLDEDGNVIPSEKDFVDTWTAMEELVDEGLVKAIGVSNFNHLQVEKILNKPGLKYKPAVNQIECHPYLTQEKLIQYCNSKGIVVTAYSPLGSPDRPWAKPEDPSILEDPRIKAIADKYNKTTAQVLIRFPIQRNLIVIPKSVTPERIAENFQVFDFELDKEDMNTLLSYNRDWRACALVSCASHRDYPFHEEF
  
Inhibitor
Name:
BDBM50012899
Synonyms:
(Z)-5-Fluoro-2-methyl-1-((p-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid | CHEMBL15770 | SULINDAC | cis-5-Fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid | cis-5-Fluoro-2-methyl-1-((p-methylsulfinyl)benzylidene)indene-3-acetic acid | {(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetic acid
Type:
Small organic molecule
Emp. Form.:
C20H17FO3S
Mol. Mass.:
356.411
SMILES:
CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1ccc(cc1)S(C)=O |c:1|
Structure:
Search PDB for entries with ligand similarity: