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Target
Aldo-keto reductase family 1 member C1
Ligand
BDBM50339185
Substrate
n/a
Meas. Tech.
ChEMBL_864146 (CHEMBL2175095)
IC50
>100000±n/a nM
Citation
 Jamieson, SM; Brooke, DG; Heinrich, D; Atwell, GJ; Silva, S; Hamilton, EJ; Turnbull, AP; Rigoreau, LJ; Trivier, E; Soudy, C; Samlal, SS; Owen, PJ; Schroeder, E; Raynham, T; Flanagan, JU; Denny, 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 
Target
Name:
Aldo-keto reductase family 1 member C1
Synonyms:
20-alpha-HSD | 20-alpha-Hydroxysteroid Dehydrogenase (AKR1C1) | AK1C1_HUMAN | AKR1C1 | Aldo-keto reductase family 1 member C1 (AK1C1) | Aldo-keto reductase family 1 member C1 (AK1C1a) | Aldo-keto reductase family 1 member C1 (AKR1C1) | Chlordecone reductase homolog HAKRC | DDH | DDH1 | High-affinity hepatic bile acid-binding protein | Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase
Type:
Enzyme
Mol. Mass.:
36793.97
Organism:
Homo sapiens (Human)
Description:
Recombinant AKR1C1 enzyme was expressed in E. coli.
Residue:
323
Sequence:
MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEATKLAIEAGFRHIDSAHLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCNSHRPELVRPALERSLKNLQLDYVDLYLIHFPVSVKPGEEVIPKDENGKILFDTVDLCATWEAVEKCKDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYFNQRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLNRNVRYLTLDIFAGPPNYPFSDEY
  
Inhibitor
Name:
BDBM50339185
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 | US11459295, Compound S-Naproxen (1) | naproxene
Type:
Small organic molecule
Emp. Form.:
C14H14O3
Mol. Mass.:
230.2592
SMILES:
COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: