Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAldo-keto reductase family 1 member C2
LigandBDBM50241828
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1670545 (CHEMBL4020433)
IC50 610±n/a nM
Citation Endo, SXia, SSuyama, MMorikawa, YOguri, HHu, DAo, YTakahara, SHorino, YHayakawa, YWatanabe, YGouda, HHara, AKuwata, KToyooka, NMatsunaga, TIkari, A Synthesis of Potent and Selective Inhibitors of Aldo-Keto Reductase 1B10 and Their Efficacy against Proliferation, Metastasis, and Cisplatin Resistance of Lung Cancer Cells. J Med Chem60:8441-8455 (2017) [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) | AK1C2_HUMAN | 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 | DDH2 | 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:
BDBM50241828
n/a
NameBDBM50241828
Synonyms:CHEMBL4089817
TypeSmall organic molecule
Emp. Form.C19H16FNO4
Mol. Mass.341.333
SMILESOc1ccc2cc(C(=O)NCCCc3ccc(F)cc3)c(=O)oc2c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: