Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAldo-keto reductase family 1 member C1
LigandBDBM50427621
Substrate/Competitorn/a
Meas. Tech.Inhibition Assay
IC50>100±n/a nM
Citation Marnett, LJLiedtke, AJPenning, TMAdeniji, AOByrns, MC Indomethacin analogs for the treatment of castrate-resistant prostate cancer US Patent US9346803 Publication Date 5/24/2016
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) | 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:
MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEATKLAIEAGFRHIDSAHLYNNEEQ
VGLAIRSKIADGSVKREDIFYTSKLWCNSHRPELVRPALERSLKNLQLDYVDLYLIHFPV
SVKPGEEVIPKDENGKILFDTVDLCATWEAVEKCKDAGLAKSIGVSNFNRRQLEMILNKP
GLKYKPVCNQVECHPYFNQRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPV
LCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLN
RNVRYLTLDIFAGPPNYPFSDEY
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50427621
n/a
NameBDBM50427621
Synonyms:CHEMBL2323490 | US9346803, 1
TypeSmall organic molecule
Emp. Form.C19H14ClF3N2O5S
Mol. Mass.474.838
SMILESCOc1ccc2n(cc(CC(=O)NS(=O)(=O)C(F)(F)F)c2c1)C(=O)c1ccc(Cl)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: