Target
Aldo-keto reductase family 1 member C1
Ligand
BDBM50396669
Substrate
n/a
Meas. Tech.
ChEMBL_864146 (CHEMBL2175095)
IC50
830±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 
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:
BDBM50396669
Synonyms:
CHEMBL2172108
Type:
Small organic molecule
Emp. Form.:
C15H10BrNO4S
Mol. Mass.:
380.213
SMILES:
OC(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(Br)cc1
Structure:
Search PDB for entries with ligand similarity: