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Target
17-beta-hydroxysteroid dehydrogenase type 1
Ligand
BDBM50179198
Substrate
n/a
Meas. Tech.
ChEMBL_544139 (CHEMBL1013420)
IC50
93±n/a nM
Citation
 Fournier, D; Poirier, D; Mazumdar, M; Lin, SX Design and synthesis of bisubstrate inhibitors of type 1 17beta-hydroxysteroid dehydrogenase: overview and perspectives. Eur J Med Chem 43:2298-306 (2008) [PubMed]  Article 
Target
Name:
17-beta-hydroxysteroid dehydrogenase type 1
Synonyms:
17-beta-HSD 1 | 17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1) | 17-beta-hydroxysteroid dehydrogenase type 1 | 20 alpha-hydroxysteroid dehydrogenase | 20-alpha-HSD | DHB1_HUMAN | E17KSR | E2DH | EDH17B1 | EDH17B2 | EDHB17 | Estradiol 17-beta-dehydrogenase 1 | Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) | HSD17B1 | Placental 17-beta-hydroxysteroid dehydrogenase | SDR28C1
Type:
Enzyme
Mol. Mass.:
34945.13
Organism:
Homo sapiens (Human)
Description:
P14061
Residue:
328
Sequence:
MARTVVLITGCSSGIGLHLAVRLASDPSQSFKVYATLRDLKTQGRLWEAARALACPPGSLETLQLDVRDSKSVAAARERVTEGRVDVLVCNAGLGLLGPLEALGEDAVASVLDVNVVGTVRMLQAFLPDMKRRGSGRVLVTGSVGGLMGLPFNDVYCASKFALEGLCESLAVLLLPFGVHLSLIECGPVHTAFMEKVLGSPEEVLDRTDIHTFHRFYQYLAHSKQVFREAAQNPEEVAEVFLTALRAPKPTLRYFTTERFLPLLRMRLDDPSGSNYVTAMHREVFGDVPAKAEAGAEAGGGAGPGAEDEAGRGAVGDPELGDPPAAPQ
  
Inhibitor
Name:
BDBM50179198
Synonyms:
((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl 7-((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)heptanoate | 5'-O-{8-[3',17'beta-dihydroxy-1',3',5'(10')-estratrien-16'beta-yl]-octanoyl} adenosine | CHEMBL332756
Type:
Small organic molecule
Emp. Form.:
C36H49N5O7
Mol. Mass.:
663.8036
SMILES:
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@H](CCCCCCCC(=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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