Reaction Details Report a problem with these data
Target
Gamma-aminobutyric acid (GABA) B receptor 1
Ligand
BDBM50055912
Substrate
n/a
Meas. Tech.
Binding Assay
IC50
12.6±1.7 nM
Citation
 Runyon, SP; Rogawski, MA; Cook, E; Kepler, J; Navarro, H; Kaminski, R; Orr, M Androstane and pregnane steroids with potent allosteric GABA receptor chloride ionophore modulating properties US Patent  US8575375 Publication Date 11/5/2013 
Target
Name:
Gamma-aminobutyric acid (GABA) B receptor 1
Synonyms:
GABA-B receptor 1 | GABA-B-R1 | Gamma-aminobutyric acid type B receptor subunit 1 (GABA) | Gb1 | gamma-Aminobutyric Acid Type B Receptor Subunit 1
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
108221.06
Organism:
Rattus norvegicus (rat)
Description:
Q6MFX8
Residue:
960
Sequence:
MLLLLLVPLFLRPLGAGGAQTPNATSEGCQIIHPPWEGGIRYRGLTRDQVKAINFLPVDYEIEYVCRGEREVVGPKVRKCLANGSWTDMDTPSRCVRICSKSYLTLENGKVFLTGGDLPALDGARVEFRCDPDFHLVGSSRSVCSQGQWSTPKPHCQVNRTPHSERRAVYIGALFPMSGGWPGGQACQPAVEMALEDVNSRRDILPDYELKLIHHDSKCDPGQATKYLYELLYNDPIKIILMPGCSSVSTLVAEAARMWNLIVLSYGSSSPALSNRQRFPTFFRTHPSATLHNPTRVKLFEKWGWKKIATIQQTTEVFTSTLDDLEERVKEAGIEITFRQSFFSDPAVPVKNLKRQDARIIVGLFYETEARKVFCEVYKERLFGKKYVWFLIGWYADNWFKTYDPSINCTVEEMTEAVEGHITTEIVMLNPANTRSISNMTSQEFVEKLTKRLKRHPEETGGFQEAPLAYDAIWALALALNKTSGGGGRSGVRLEDFNYNNQTITDQIYRAMNSSSFEGVSGHVVFDASGSRMAWTLIEQLQGGSYKKIGYYDSTKDDLSWSKTDKWIGGSPPADQTLVIKTFRFLSQKLFISVSVLSSLGIVLAVVCLSFNIYNSHVRYIQNSQPNLNNLTAVGCSLALAAVFPLGLDGYHIGRSQFPFVCQARLWLLGLGFSLGYGSMFTKIWWVHTVFTKKEEKKEWRKTLEPWKLYATVGLLVGMDVLTLAIWQIVDPLHRTIETFAKEEPKEDIDVSILPQLEHCSSKKMNTWLGIFYGYKGLLLLLGIFLAYETKSVSTEKINDHRAVGMAIYNVAVLCLITAPVTMILSSQQDAAFAFASLAIVFSSYITLVVLFVPKMRRLITRGEWQSETQDTMKTGSSTNNNEEEKSRLLEKENRELEKIIAEKEERVSELRHQLQSRQQLRSRRHPPTPPDPSGGLPRGPSEPPDRLSCDGSRVHLLYK
  
Inhibitor
Name:
BDBM50055912
Synonyms:
(3alpha,5alpha)-3-hydroxypregnan-20-one) | 1-((3R,5S)-3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-ethanone | 1-((3R,5S,10S,13S,17S)-3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-ethanone | 1-((3R,5S,10S,14S)-3-Hydroxy-10-methyl-13-(S)-methyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-ethanone | 1-((3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone | 1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-ethanone | 3alpha-hydroxy-5alpha-pregnan-20-one | CHEMBL38856 | US8575375, 10 | allopregnanolone
Type:
Small organic molecule
Emp. Form.:
C21H34O2
Mol. Mass.:
318.4935
SMILES:
CC(=O)[C@H]1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
Structure:
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