Reaction Details Report a problem with these data
Target
Gamma-aminobutyric acid receptor subunit beta-1
Ligand
BDBM625659
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:
BDBM625659
Synonyms:
Synthesis of (3R,5R,8R,9R,10S,13R,14S,17R)-3-(methoxymethyl)-13-methyl-17-(2-(5-methyl-2H-tetrazol-2-yl)ethyl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol (G5) & (3R,5R,8R,9R,10S,13R,14S,17R)-3-(methoxymethyl)-13-methyl-17-(2-(5-methyl-1H-tetrazol-1-yl)ethyl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol (G6) | US20230322846, Example 47
Type:
Small organic molecule
Emp. Form.:
C24H40N4O2
Mol. Mass.:
416.6
SMILES:
COC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H](CCn5nnc(C)n5)[C@@]4(C)CC[C@H]23)C1 |r|
Structure:
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