Reaction Details
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Aldo-keto reductase family 1 member B10 [K125R,V301L]
Ligand
BDBM50012899
Substrate
n/a
Meas. Tech.
IC50-Activity Assay (AR)
pH
7±n/a
IC50
2.69e+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:
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:
