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TargetEstradiol 17-beta-dehydrogenase 1 (17beta-HSD1)
LigandBDBM50179201
Substrate/Competitorn/a
Meas. Tech.ChEMBL_544141
IC50 8±n/a nM
Citation Fournier, DPoirier, DMazumdar, MLin, SX Design and synthesis of bisubstrate inhibitors of type 1 17beta-hydroxysteroid dehydrogenase: overview and perspectives. Eur J Med Chem43:2298-306 (2008) [PubMed]  Article
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Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)
Name:Estradiol 17-beta-dehydrogenase 1
Synonyms:17-beta-HSD 1 | 17-beta-hydroxysteroid dehydrogenase type 1 | 20 alpha-hydroxysteroid dehydrogenase | 20-alpha-HSD | E2DH | Estradiol 17-beta-dehydrogenase 1 | Placental 17-beta-hydroxysteroid dehydrogenase
Type:Enzyme
Mol. Mass.:34945.13
Organism:Homo sapiens (Human)
Description:P14061
Residue:328
Sequence:
MARTVVLITGCSSGIGLHLAVRLASDPSQSFKVYATLRDLKTQGRLWEAARALACPPGSL
ETLQLDVRDSKSVAAARERVTEGRVDVLVCNAGLGLLGPLEALGEDAVASVLDVNVVGTV
RMLQAFLPDMKRRGSGRVLVTGSVGGLMGLPFNDVYCASKFALEGLCESLAVLLLPFGVH
LSLIECGPVHTAFMEKVLGSPEEVLDRTDIHTFHRFYQYLAHSKQVFREAAQNPEEVAEV
FLTALRAPKPTLRYFTTERFLPLLRMRLDDPSGSNYVTAMHREVFGDVPAKAEAGAEAGG
GAGPGAEDEAGRGAVGDPELGDPPAAPQ
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BDBM50179201
NameBDBM50179201
Synonyms:((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl 9-((8R,9S,13S,14S,16S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl)nonanoate | ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl 9-((8R,9S,13S,14S,16S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl)nonanoate | 5'-O-{9-[3',17'beta-dihydroxy-1',3',5'(10')-estratrien-16'beta-yl]-nonanoyl} adenosine | CHEMBL371948 | O5'-[9-(3,17B-DIHYDROXY-1,3,5(10)-ESTRATRIEN-16B-YL)-NONANOYL]ADENOSINE
TypeSmall organic molecule
Emp. Form.C37H51N5O7
Mol. Mass.677.8301
SMILESC[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@H](CCCCCCCCC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc3c(N)ncnc13)[C@@H]2O |r|
Structure
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