| Reaction Details |
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 | Report a problem with these data |
| Target | Gamma-aminobutyric acid receptor subunit beta-1 |
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| Ligand | BDBM625679 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Steroid Inhibition of TBPS Binding |
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| IC50 | <100±n/a nM |
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| Citation |  Blanco-Pillado, MJ; SALITURO, FG; MORNINGSTAR, ML NEUROACTIVE STEROIDS AND THEIR METHODS OF USE US Patent US20230322846 Publication Date 10/12/2023 |
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| More Info.: | Get all data from this article, Assay Method |
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| Gamma-aminobutyric acid receptor subunit beta-1 |
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| Name: | Gamma-aminobutyric acid receptor subunit beta-1 |
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| Synonyms: | GABA(A) receptor subunit beta-1 |
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| Type: | Protein |
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| Mol. Mass.: | 54082.33 |
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| Organism: | Rat |
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| Description: | P15431 |
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| Residue: | 474 |
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| Sequence: | MWTVQNRESLGLLSFPVMVAMVCCAHSSNEPSNMSYVKETVDRLLKGYDIRLRPDFGGPP
VDVGMRIDVASIDMVSEVNMDYTLTMYFQQSWKDKRLSYSGIPLNLTLDNRVADQLWVPD
TYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIE
SYGYTTDDIEFYWNGGEGAVTGVNKIELPQFSIVDYKMVSKKVEFTTGAYPRLSLSFRLK
RNIGYFILQTYMPSTLITILSWVSFWINYDASAARVALGITTVLTMTTISTHLRETLPKI
PYVKAIDIYLMGCFVFVFLALLEYAFVNYIFFGKGPQKKGASKQDQSANEKNKLEMNKVQ
VDAHGNILLSTLEIRNETSGSEVLTGVSDPKATMYSYDSASIQYRKPLSSREGFGRGLDR
HGVPGKGRIRRRASQLKVKIPDLTDVNSIDKWSRMFFPITFSLFNVVYWLYYVH
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| BDBM625679 |
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| n/a |
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| Name | BDBM625679 |
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| Synonyms: | Synthesis of 4-cyano-N—((R)-1-((3R,5R,8R,9R,10S,13S,14S,17S)-3-(ethoxymethyl)-3-hydroxy-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)benzenesulfonamide (67) & 4-cyano-N—((R)-1-((3R,5R,8R,9R,10S,13S,14S,17S)-3-(ethoxymethyl)-3-hydroxy-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)-N-methylbenzenesulfonamide (68) | US20230322846, Example 67 |
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| Type | Small organic molecule |
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| Emp. Form. | C30H44N2O4S |
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| Mol. Mass. | 528.746 |
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| SMILES | CCOC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)NS(=O)(=O)c5ccc(cc5)C#N)[C@@]4(C)CC[C@H]23)C1 |r| |
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| Structure | 
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