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TargetEstradiol 17-beta-dehydrogenase 2
LigandBDBM50232107
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1646099
IC50 26±n/a nM
Citation Abdelsamie, ASvan Koppen, CJBey, ESalah, MBörger, CSiebenbürger, LLaschke, MWMenger, MDFrotscher, M Treatment of estrogen-dependent diseases: Design, synthesis and profiling of a selective 17ß-HSD1 inhibitor with sub-nanomolar IC Eur J Med Chem127:944-957 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Estradiol 17-beta-dehydrogenase 2
Name:Estradiol 17-beta-dehydrogenase 2
Synonyms:17-beta-Hydroxysteroid Dehydrogenase 2 (17-beta-HSD2) | 20 alpha-hydroxysteroid dehydrogenase | 20-alpha-HSD | Estradiol 17-beta-dehydrogenase 2 (17beta-HSD2) | Microsomal 17-beta-hydroxysteroid dehydrogenas | Testosterone 17-beta-dehydrogenase
Type:Oxidoreductase; single-pass type II membrane protein
Mol. Mass.:42795.29
Organism:Homo sapiens (Human)
Description:Enzyme was partially purified from human placenta.
Residue:387
Sequence:
MSTFFSDTAWICLAVPTVLCGTVFCKYKKSSGQLWSWMVCLAGLCAVCLLILSPFWGLIL
FSVSCFLMYTYLSGQELLPVDQKAVLVTGGDCGLGHALCKYLDELGFTVFAGVLNENGPG
AEELRRTCSPRLSVLQMDITKPVQIKDAYSKVAAMLQDRGLWAVINNAGVLGFPTDGELL
LMTDYKQCMAVNFFGTVEVTKTFLPLLRKSKGRLVNVSSMGGGAPMERLASYGSSKAAVT
MFSSVMRLELSKWGIKVASIQPGGFLTNIAGTSDKWEKLEKDILDHLPAEVQEDYGQDYI
LAQRNFLLLINSLASKDFSPVLRDIQHAILAKSPFAYYTPGKGAYLWICLAHYLPIGIYD
YFAKRHFGQDKPMPRALRMPNYKKKAT
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  Blast E-value cutoff:
BDBM50232107
NameBDBM50232107
Synonyms:CHEMBL4077041
TypeSmall organic molecule
Emp. Form.C20H12ClF2N3O3S
Mol. Mass.447.842
SMILESOc1ccc(F)c(C(=O)c2ccc(s2)-c2cc(Cl)c(O)c(Cn3ccnn3)c2)c1F
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
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