Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAldo-keto reductase family 1 member C3
LigandBDBM50446017
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1283742 (CHEMBL3108467)
IC50 10.0±n/a nM
Citation Flanagan, JUAtwell, GJHeinrich, DMBrooke, DGSilva, SRigoreau, LJTrivier, ETurnbull, APRaynham, TJamieson, SMDenny, WA Morpholylureas are a new class of potent and selective inhibitors of the type 5 17-ß-hydroxysteroid dehydrogenase (AKR1C3). Bioorg Med Chem22:967-77 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Aldo-keto reductase family 1 member C3
Name:Aldo-keto reductase family 1 member C3
Synonyms:17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) | 3-alpha-HSD type 2 | AK1C3_HUMAN | AKR1C3 | 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) | Aldo-keto-reductase family 1 member C3 | DDH1 | Dihydrodiol dehydrogenase 3 | Dihydrodiol dehydrogenase type I | Estradiol 17-beta-dehydrogenase | HSD17B5 | KIAA0119 | PGFS | 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:
BDBM50446017
n/a
NameBDBM50446017
Synonyms:CHEMBL3103349
TypeSmall organic molecule
Emp. Form.C15H20IN3O2
Mol. Mass.401.2427
SMILESIc1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: