Reaction Details  Report a problem with these data
Target
Gamma-aminobutyric acid (GABA) B receptor 1
Ligand
BDBM585990
Substrate
n/a
Meas. Tech.
TBD
IC50
<10±n/a nM
Citation
 Martinez Botella, G; Salituro, FG; Robichaud, AJ; Harrison, BL Compositions and methods for treating CNS disorders US Patent  US11530237 Publication Date 12/20/2022
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:
BDBM585990
Synonyms:
US11530237, Compound 165 | US11542297, Compound 165
Type:
Small organic molecule
Emp. Form.:
C29H40ClN3O3
Mol. Mass.:
514.099
SMILES:
COC[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(=O)Cn5nc6ccc(Cl)cc6n5)[C@@]4(C)CC[C@H]23)C1 |r|
Structure:
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