Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAldo-keto reductase family 1 member B1
LigandBDBM104020
Substrate/Competitorn/a
Meas. Tech.IC50-Activity Assay (AR)
pH7±n/a
IC50 7.1e+2± 7e+1 nM
Commentsextracted
Citation Cousido-Siah, ARuiz, FXFranflík, JGiménez-Dejoz, JMitschler, AKamlar, MVesely´, JAjani, HParés, XFarrés, JHobza, PPodjarny, AD IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors ACS Chem Biol11:2693-2705 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Aldo-keto reductase family 1 member B1
Name:Aldo-keto reductase family 1 member B1
Synonyms:AKR1B1 | ALDR1 | ALDR_HUMAN | ALR2 | AR | Aldo-keto reductase family 1 member B1 (AKR1B1) | Aldose Reductase (ALR2) | Aldose reductase | Aldose reductase (AR)
Type:Protein
Mol. Mass.:35855.50
Organism:Homo sapiens (Human)
Description:P15121. 4LAU; 2IKI; 4LB4; 2FZD; 2FZ8; 1US0
Residue:316
Sequence:
MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQ
EKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGK
EFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKP
AVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAK
HNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVCA
LLSCTSHKDYPFHEEF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM104020
n/a
NameBDBM104020
Synonyms:MK181
TypeSmall organic molecule
Emp. Form.C16H13BrClNO4
Mol. Mass.398.636
SMILESOC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: