Reaction Details Report a problem with these data
Target
Gamma-aminobutyric acid type B receptor subunit 1
Ligand
BDBM86283
Substrate
n/a
Meas. Tech.
ChEMBL_1679668 (CHEMBL4029945)
EC50
79±n/a nM
Citation
 Johnstone, S; Albert, JS Pharmacological property optimization for allosteric ligands: A medicinal chemistry perspective. Bioorg Med Chem Lett 27:2239-2258 (2017) [PubMed]  Article 
Target
Name:
Gamma-aminobutyric acid type B receptor subunit 1
Synonyms:
GABA-B receptor | GABA-B receptor 1 | GABA-B-R1 | GABA-BR1 | GABBR1 | GABR1_HUMAN | GARABR1 | GPRC3A | Gb1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
108337.22
Organism:
Homo sapiens (Human)
Description:
Q9UBS5
Residue:
961
Sequence:
MLLLLLLAPLFLRPPGAGGAQTPNATSEGCQIIHPPWEGGIRYRGLTRDQVKAINFLPVDYEIEYVCRGEREVVGPKVRKCLANGSWTDMDTPSRCVRICSKSYLTLENGKVFLTGGDLPALDGARVDFRCDPDFHLVGSSRSICSQGQWSTPKPHCQVNRTPHSERRAVYIGALFPMSGGWPGGQACQPAVEMALEDVNSRRDILPDYELKLIHHDSKCDPGQATKYLYELLYNDPIKIILMPGCSSVSTLVAEAARMWNLIVLSYGSSSPALSNRQRFPTFFRTHPSATLHNPTRVKLFEKWGWKKIATIQQTTEVFTSTLDDLEERVKEAGIEITFRQSFFSDPAVPVKNLKRQDARIIVGLFYETEARKVFCEVYKERLFGKKYVWFLIGWYADNWFKIYDPSINCTVDEMTEAVEGHITTEIVMLNPANTRSISNMTSQEFVEKLTKRLKRHPEETGGFQEAPLAYDAIWALALALNKTSGGGGRSGVRLEDFNYNNQTITDQIYRAMNSSSFEGVSGHVVFDASGSRMAWTLIEQLQGGSYKKIGYYDSTKDDLSWSKTDKWIGGSPPADQTLVIKTFRFLSQKLFISVSVLSSLGIVLAVVCLSFNIYNSHVRYIQNSQPNLNNLTAVGCSLALAAVFPLGLDGYHIGRNQFPFVCQARLWLLGLGFSLGYGSMFTKIWWVHTVFTKKEEKKEWRKTLEPWKLYATVGLLVGMDVLTLAIWQIVDPLHRTIETFAKEEPKEDIDVSILPQLEHCSSRKMNTWLGIFYGYKGLLLLLGIFLAYETKSVSTEKINDHRAVGMAIYNVAVLCLITAPVTMILSSQQDAAFAFASLAIVFSSYITLVVLFVPKMRRLITRGEWQSEAQDTMKTGSSTNNNEEEKSRLLEKENRELEKIIAEKEERVSELRHQLQSRQQLRSRRHPPTPPEPSGGLPRGPPEPPDRLSCDGSRVHLLYK
  
Inhibitor
Name:
BDBM86283
Synonyms:
CAS_345-78-8 | CAS_39069-52-8 | GS 39783 | N,N'-Dicyclopentyl-2-methylsulfanyl-5-nitro-pyrimidine-4,6-diamine | NSC_5032 | Pseudoephedrine,(+)
Type:
Small organic molecule
Emp. Form.:
C15H23N5O2S
Mol. Mass.:
337.44
SMILES:
CSc1nc(NC2CCCC2)c(c(NC2CCCC2)n1)[N+]([O-])=O
Structure:
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