Reaction Details Report a problem with these data
Target
Gamma-aminobutyric acid receptor subunit gamma-1
Ligand
BDBM585882
Substrate
n/a
Meas. Tech.
Steroid Inhibition of TBPS Binding
IC50
<10±n/a nM
Citation
 Martinez Botella, G; Salituro, FG; Robichaud, AJ; Harrison, BL Compositions and methods for treating CNS disorders US Patent  US11542297 Publication Date 1/3/2023 
Target
Name:
Gamma-aminobutyric acid receptor subunit gamma-1
Synonyms:
Benzodiazepine receptors | Benzodiazepine receptors; peripheral & central | GABA receptor gamma-1 subunit | GBRG1_RAT | Gabrg1
Type:
PROTEIN
Mol. Mass.:
53557.84
Organism:
Rattus norvegicus
Description:
ChEMBL_193817
Residue:
465
Sequence:
MGSGKVFLFSPSLLWSQTRGVRLIFLLLTLHLGNCIDKADDEDDEDLTMNKTWVLAPKIHEGDITQILNSLLQGYDNKLRPDIGVRPTVIETDVYVNSIGPVDPINMEYTIDIIFAQTWFDSRLKFNSTMKVLMLNSNMVGKIWIPDTFFRNSRKSDAHWITTPNRLLRIWSDGRVLYTLRLTINAECYLQLHNFPMDEHSCPLEFSSYGYPKNEIEYKWKKPSVEVADPKYWRLYQFAFVGLRNSTEISHTISGDYIIMTIFFDLSRRMGYFTIQTYIPCILTVVLSWVSFWINKDAVPARTSLGITTVLTMTTLSTIARKSLPKVSYVTAMDLFVSVCFIFVFAALMEYGTLHYFTSNNKGKTTRDRKLKSKTSVSPGLHAGSTLIPMNNISMPQGEDDYGYQCLEGKDCATFFCCFEDCRTGSWREGRIHIRIAKIDSYSRIFFPTAFALFNLVYWVGYLYL
  
Inhibitor
Name:
BDBM585882
Synonyms:
US11530237, Compound 40 | US11542297, Compound 40
Type:
Small organic molecule
Emp. Form.:
C29H44N2O5
Mol. Mass.:
500.6701
SMILES:
CCO[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(=O)Cn5ccc(n5)C(=O)OCC)[C@@]4(C)CC[C@H]23)C[C@@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: