Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member B10
Ligand
BDBM16452
Substrate
n/a
Meas. Tech.
IC50-Activity Assay (AKR1B10)
pH
7±n/a
IC50
6.2e+2±n/a nM
Comments
extracted
Citation
 Cousido-Siah, A; Ruiz, FX; Franflík, J; Giménez-Dejoz, J; Mitschler, A; Kamlar, M; Vesely´, J; Ajani, H; Parés, X; Farrés, J; Hobza, P; Podjarny, AD IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors ACS Chem Biol 11:2693-2705 (2016) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member B10
Synonyms:
AK1BA_HUMAN | AKR1B10 | AKR1B11 | ARL-1 | ARP | Aldo-keto reductase family 1 member B10 | Aldo-keto reductase family 1 member B10 (AKR1B10) | Aldo-keto reductase family member 1B10 (AKR1B10) | Aldose reductase-like | Aldose reductase-related protein | SI reductase | Small intestine reductase | hARP
Type:
Protein
Mol. Mass.:
36024.67
Organism:
Homo sapiens (Human)
Description:
O60218. 1ZUA; 4JII; 4GQ0
Residue:
316
Sequence:
MATFVELSTKAKMPIVGLGTWKSPLGKVKEAVKVAIDAGYRHIDCAYVYQNEHEVGEAIQEKIQEKAVKREDLFIVSKLWPTFFERPLVRKAFEKTLKDLKLSYLDVYLIHWPQGFKSGDDLFPKDDKGNAIGGKATFLDAWEAMEELVDEGLVKALGVSNFSHFQIEKLLNKPGLKYKPVTNQVECHPYLTQEKLIQYCHSKGITVTAYSPLGSPDRPWAKPEDPSLLEDPKIKEIAAKHKKTAAQVLIRFHIQRNVIVIPKSVTPARIVENIQVFDFKLSDEEMATILSFNRNWRACNVLQSSHLEDYPFNAEY
  
Inhibitor
Name:
BDBM16452
Synonyms:
(4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3,4-dihydrophthalazin-1-yl)acetic acid | 2-(4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3,4-dihydrophthalazin-1-yl)acetic acid | Alond | CHEMBL10372 | Xedia | Zopolrestat
Type:
Small organic molecule
Emp. Form.:
C19H12F3N3O3S
Mol. Mass.:
419.377
SMILES:
OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12
Structure:
Search PDB for entries with ligand similarity: