Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAldo-keto reductase family 1 member C1
LigandBDBM50427624
Substrate/Competitorn/a
Meas. Tech.ChEMBL_941821
IC50 76250±n/a nM
Citation Liedtke AJAdeniji AOChen MByrns MCJin YChristianson DWMarnett LJPenning TM Development of potent and selective indomethacin analogues for the inhibition of AKR1C3 (Type 5 17ß-hydroxysteroid dehydrogenase/prostaglandin F synthase) in castrate-resistant prostate cancer. J Med Chem 56:2429-46 (2013) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Aldo-keto reductase family 1 member C1
Name:Aldo-keto reductase family 1 member C1
Synonyms:20-alpha-HSD | 20-alpha-Hydroxysteroid Dehydrogenase (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 | 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:
MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEATKLAIEAGFRHIDSAHLYNNEEQ
VGLAIRSKIADGSVKREDIFYTSKLWCNSHRPELVRPALERSLKNLQLDYVDLYLIHFPV
SVKPGEEVIPKDENGKILFDTVDLCATWEAVEKCKDAGLAKSIGVSNFNRRQLEMILNKP
GLKYKPVCNQVECHPYFNQRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPV
LCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLN
RNVRYLTLDIFAGPPNYPFSDEY
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50427624
n/a
NameBDBM50427624
Synonyms:CHEMBL2323522 | US9346803, Table 2, Compound 11: 9-(4-chlorobenzoyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid
TypeSmall organic molecule
Emp. Form.C21H18ClNO4
Mol. Mass.383.825
SMILESCOc1ccc2n(C(=O)c3ccc(Cl)cc3)c3CCC(Cc3c2c1)C(O)=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: