| Reaction Details |
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 | Report a problem with these data |
| Target | 17-beta-hydroxysteroid dehydrogenase type 1 |
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| Ligand | BDBM50179197 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_544139 (CHEMBL1013420) |
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| IC50 | 430±n/a nM |
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| 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 Chem43:2298-306 (2008) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| 17-beta-hydroxysteroid dehydrogenase type 1 |
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| Name: | 17-beta-hydroxysteroid dehydrogenase type 1 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 34945.13 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P14061 |
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| Residue: | 328 |
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| Sequence: | MARTVVLITGCSSGIGLHLAVRLASDPSQSFKVYATLRDLKTQGRLWEAARALACPPGSL
ETLQLDVRDSKSVAAARERVTEGRVDVLVCNAGLGLLGPLEALGEDAVASVLDVNVVGTV
RMLQAFLPDMKRRGSGRVLVTGSVGGLMGLPFNDVYCASKFALEGLCESLAVLLLPFGVH
LSLIECGPVHTAFMEKVLGSPEEVLDRTDIHTFHRFYQYLAHSKQVFREAAQNPEEVAEV
FLTALRAPKPTLRYFTTERFLPLLRMRLDDPSGSNYVTAMHREVFGDVPAKAEAGAEAGG
GAGPGAEDEAGRGAVGDPELGDPPAAPQ
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| BDBM50179197 |
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| n/a |
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| Name | BDBM50179197 |
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| Synonyms: | ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl 8-((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)octanoate | 5'-O-{7-[3',17'beta-dihydroxy-1',3',5'(10')-estratrien-16'beta-yl]-heptanoyl} adenosine | CHEMBL369588 |
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| Type | Small organic molecule |
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| Emp. Form. | C35H47N5O7 |
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| Mol. Mass. | 649.777 |
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| SMILES | C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@H](CCCCCCC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc3c(N)ncnc13)[C@@H]2O |r| |
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| Structure | 
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