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Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50235171
Substrate
n/a
Meas. Tech.
ChEMBL_1654821 (CHEMBL4004187)
IC50
116±n/a nM
Citation
 Hao, X; Han, Z; Li, Y; Li, C; Wang, X; Zhang, X; Yang, Q; Ma, B; Zhu, C Synthesis and structure-activity relationship studies of phenolic hydroxyl derivatives based on quinoxalinone as aldose reductase inhibitors with antioxidant activity. Bioorg Med Chem Lett 27:887-892 (2017) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member B1
Synonyms:
ALDR_RAT | Akr1b1 | Akr1b4 | Aldose reductase | Aldr1
Type:
PROTEIN
Mol. Mass.:
35797.87
Organism:
Rattus norvegicus
Description:
ChEMBL_1512484
Residue:
316
Sequence:
MASHLELNNGTKMPTLGLGTWKSPPGQVTEAVKVAIDMGYRHIDCAQVYQNEKEVGVALQEKLKEQVVKRQDLFIVSKLWCTFHDQSMVKGACQKTLSDLQLDYLDLYLIHWPTGFKPGPDYFPLDASGNVIPSDTDFVDTWTAMEQLVDEGLVKAIGVSNFNPLQIERILNKPGLKYKPAVNQIECHPYLTQEKLIEYCHCKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKEIAAKYNKTTAQVLIRFPIQRNLVVIPKSVTPARIAENFKVFDFELSNEDMATLLSYNRNWRVCALMSCAKHKDYPFHAEV
  
Inhibitor
Name:
BDBM50235171
Synonyms:
CHEMBL4096586
Type:
Small organic molecule
Emp. Form.:
C17H14N2O7
Mol. Mass.:
358.3023
SMILES:
COc1ccc2nc(-c3c(O)cc(O)cc3O)c(=O)n(CC(O)=O)c2c1 |(19.65,-19.54,;19.65,-21.08,;20.98,-21.85,;20.98,-23.4,;22.31,-24.17,;23.65,-23.4,;24.99,-24.17,;26.34,-23.39,;27.67,-24.16,;28.99,-23.38,;28.98,-21.84,;30.33,-24.14,;30.34,-25.69,;31.67,-26.45,;29,-26.46,;27.67,-25.7,;26.34,-26.47,;26.33,-21.84,;27.66,-21.06,;24.98,-21.06,;24.97,-19.52,;26.3,-18.74,;27.64,-19.5,;26.29,-17.2,;23.64,-21.85,;22.31,-21.08,)|
Structure:
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