Reaction Details
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Aldo-keto reductase family 1 member B10 [K125R,V301L]
Ligand
BDBM16238
Substrate
n/a
Meas. Tech.
IC50-Activity Assay (AR)
pH
7±n/a
IC50
4.4e+3±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 More Info.:
Target
Name:
Aldo-keto reductase family 1 member B10 [K125R,V301L]
Synonyms:
AK1BA_HUMAN | AKR1B10 | AKR1B11 | Methylated AKR1B10 K125R/V301L (AKME2MU)
Type:
Protein
Mol. Mass.:
36066.71
Organism:
Homo sapiens (Human)
Description:
Methylated form of AKR1B10 with mutations K125R and V301L; 4XLJ; 4XLK; 4XM9; 4XLM; 4XMJ; 4XZL; 4WEV
Residue:
316
Sequence:
MATFVELSTKAKMPIVGLGTWKSPLGKVKEAVKVAIDAGYRHIDCAYVYQNEHEVGEAIQEKIQEKAVKREDLFIVSKLWPTFFERPLVRKAFEKTLKDLKLSYLDVYLIHWPQGFKSGDDLFPRDDKGNAIGGKATFLDAWEAMEELVDEGLVKALGVSNFSHFQIEKLLNKPGLKYKPVTNQVECHPYLTQEKLIQYCHSKGITVTAYSPLGSPDRPWAKPEDPSLLEDPKIKEIAAKHKKTAAQVLIRFHIQRNVIVIPKSVTPARIVENIQVFDFKLSDEEMATILSFNRNWRACNLLQSSHLEDYPFNAEY
Inhibitor
Name:
BDBM16238
Synonyms:
2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamoyl}-5-chlorophenoxy)acetic acid | IDD 388 | IDD388 | {2-[(4-bromo-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
Type:
Small organic molecule
Emp. Form.:
C16H12BrClFNO4
Mol. Mass.:
416.626
SMILES:
OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1F
Structure:
