Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
Target17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
LigandBDBM50396733
Substrate/Competitorn/a
Meas. Tech.ChEMBL_864305
Ki 117000±n/a nM
Citation Brožic PTurk SAdeniji AOKonc JJanežic DPenning TMLanišnik Rižner TGobec S Selective inhibitors of aldo-keto reductases AKR1C1 and AKR1C3 discovered by virtual screening of a fragment library. J Med Chem 55:7417-24 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
Name:Aldo-keto-reductase family 1 member C3
Synonyms:3-alpha-HSD type 2 | Aldo-keto reductase family 1 member C3 | Aldo-keto reductase family 1 member C3 (AK1C3) | Aldo-keto reductase family 1 member C3 (AK1C3a) | Aldo-keto reductase family 1 member C3 (AKR1C3) | Dihydrodiol dehydrogenase 3 | Dihydrodiol dehydrogenase type I | Estradiol 17-beta-dehydrogenase | Prostaglandin F synthase | Testosterone 17-beta-dehydrogenase 5 | Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase
Type:Enzyme
Mol. Mass.:36859.86
Organism:Homo sapiens (Human)
Description:P42330
Residue:323
Sequence:
MDSKHQCVKLNDGHFMPVLGFGTYAPPEVPRSKALEVTKLAIEAGFRHIDSAHLYNNEEQ
VGLAIRSKIADGSVKREDIFYTSKLWSTFHRPELVRPALENSLKKAQLDYVDLYLIHSPM
SLKPGEELSPTDENGKVIFDIVDLCTTWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNKP
GLKYKPVCNQVECHPYFNRSKLLDFCKSKDIVLVAYSALGSQRDKRWVDPNSPVLLEDPV
LCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTAEDMKAIDGLD
RNLHYFNSDSFASHPNYPYSDEY
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50396733
n/a
NameBDBM50396733
Synonyms:CHEMBL2172251
TypeSmall organic molecule
Emp. Form.C15H13N3O2
Mol. Mass.267.2826
SMILESCc1ccn(Cc2cc(C(O)=O)c3ccccc3n2)n1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: