Reaction Details Report a problem with these data
Target
Gamma-aminobutyric acid receptor subunit beta-1
Ligand
BDBM625627
Substrate
n/a
Meas. Tech.
Steroid Inhibition of TBPS Binding
IC50
<100±n/a nM
Citation
 Blanco-Pillado, MJ; SALITURO, FG; MORNINGSTAR, ML NEUROACTIVE STEROIDS AND THEIR METHODS OF USE US Patent  US20230322846 Publication Date 10/12/2023 
Target
Name:
Gamma-aminobutyric acid receptor subunit beta-1
Synonyms:
GABA(A) receptor subunit beta-1
Type:
Protein
Mol. Mass.:
54082.33
Organism:
Rat
Description:
P15431
Residue:
474
Sequence:
MWTVQNRESLGLLSFPVMVAMVCCAHSSNEPSNMSYVKETVDRLLKGYDIRLRPDFGGPPVDVGMRIDVASIDMVSEVNMDYTLTMYFQQSWKDKRLSYSGIPLNLTLDNRVADQLWVPDTYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIESYGYTTDDIEFYWNGGEGAVTGVNKIELPQFSIVDYKMVSKKVEFTTGAYPRLSLSFRLKRNIGYFILQTYMPSTLITILSWVSFWINYDASAARVALGITTVLTMTTISTHLRETLPKIPYVKAIDIYLMGCFVFVFLALLEYAFVNYIFFGKGPQKKGASKQDQSANEKNKLEMNKVQVDAHGNILLSTLEIRNETSGSEVLTGVSDPKATMYSYDSASIQYRKPLSSREGFGRGLDRHGVPGKGRIRRRASQLKVKIPDLTDVNSIDKWSRMFFPITFSLFNVVYWLYYVH
  
Inhibitor
Name:
BDBM625627
Synonyms:
Synthesis of (R)-1-(((3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)methyl)-6-phenylpiperidin-2-one (A22) & (S)-1-(((3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)methyl)-6-phenylpiperidin-2-one (A23) | US20230322846, Example 13
Type:
Small organic molecule
Emp. Form.:
C31H45NO2
Mol. Mass.:
463.6945
SMILES:
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2CN1[C@H](CCCC1=O)c1ccccc1 |r|
Structure:
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