Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAldo-keto reductase family 1 member C2
LigandBDBM50339185
Substrate/Competitorn/a
Meas. Tech.ChEMBL_864145
IC50 31300±n/a nM
Citation Jamieson SMBrooke DGHeinrich DAtwell GJSilva SHamilton EJTurnbull APRigoreau LJTrivier ESoudy CSamlal SSOwen PJSchroeder ERaynham TFlanagan JUDenny WA 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic Acids: highly potent and selective inhibitors of the type 5 17-ß-hydroxysteroid dehydrogenase AKR1C3. J Med Chem 55:7746-58 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Aldo-keto reductase family 1 member C2
Name:Aldo-keto reductase family 1 member C2
Synonyms:3-alpha-HSD3 | 3-alpha-Hydroxysteroid Dehydrogenase Type 3 (AKR1C2) | Aldo-keto reductase family 1 member C2 (AK1C2) | Aldo-keto reductase family 1 member C2 (AK1C2a) | Aldo-keto reductase family 1 member C2 (AKR1C2) | Chlordecone reductase homolog HAKRD | DD-2 | DD/BABP | Dihydrodiol dehydrogenase 2 | Dihydrodiol dehydrogenase/bile acid-binding protein | Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase | Type III 3-alpha-hydroxysteroid dehydrogenase
Type:Enzyme
Mol. Mass.:36739.89
Organism:Homo sapiens (human)
Description:n/a
Residue:323
Sequence:
MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEAVKLAIEAGFHHIDSAHVYNNEEQ
VGLAIRSKIADGSVKREDIFYTSKLWSNSHRPELVRPALERSLKNLQLDYVDLYLIHFPV
SVKPGEEVIPKDENGKILFDTVDLCATWEAMEKCKDAGLAKSIGVSNFNHRLLEMILNKP
GLKYKPVCNQVECHPYFNQRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPV
LCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLN
RNVRYLTLDIFAGPPNYPFSDEY
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50339185
n/a
NameBDBM50339185
Synonyms:(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | (S)-2-(6-Methoxy-naphthalen-2-yl)-propionic acid | (S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | (S)-naproxen | 2-(6-Methoxy-naphthalen-2-yl)-propionic acid | 2-(6-Methoxy-naphthalen-2-yl)-propionic acid(naproxen) | 2-(6-methoxy-2-naphthyl)propanoic acid | 2-(6-methoxynaphthalen-2-yl)propanoic acid | Aleve | Anaprox | CHEMBL154 | Ec-naprosyn | Equiproxen | Naprelan | Naprosyn | Naproxen | Naproxen2-(6-Methoxy-naphthalen-2-yl)-propionic acid | RS-3540 | S-NAPROXEN | naproxene
TypeSmall organic molecule
Emp. Form.C14H14O3
Mol. Mass.230.2592
SMILESCOc1ccc2cc(ccc2c1)[C@H](C)C(O)=O |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: