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Target
Gamma-aminobutyric acid type B receptor subunit 1/2
Ligand
BDBM50477172
Substrate
n/a
Meas. Tech.
ChEMBL_449967 (CHEMBL899072)
EC50
2754±n/a nM
Citation
 Guery, S; Floersheim, P; Kaupmann, K; Froestl, W Syntheses and optimization of new GS39783 analogues as positive allosteric modulators of GABA B receptors. Bioorg Med Chem Lett 17:6206-11 (2007) [PubMed]  Article 
Target
Name:
Gamma-aminobutyric acid type B receptor subunit 1/2
Synonyms:
GABA-B receptor | GABA-B receptor 1/2
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of EBI is 68423
Components:
This complex has 2 components.
Component 1
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
  
Component 2
Name:
Gamma-aminobutyric acid type B receptor subunit 2
Synonyms:
GABA-B receptor | GABBR2 | GABR2_HUMAN | GPR51 | GPRC3B
Type:
PROTEIN
Mol. Mass.:
105844.45
Organism:
Homo sapiens (Human)
Description:
EBI_100031
Residue:
941
Sequence:
MASPRSSGQPGPPPPPPPPPARLLLLLLLPLLLPLAPGAWGWARGAPRPPPSSPPLSIMGLMPLTKEVAKGSIGRGVLPAVELAIEQIRNESLLRPYFLDLRLYDTECDNAKGLKAFYDAIKYGPNHLMVFGGVCPSVTSIIAESLQGWNLVQLSFAATTPVLADKKKYPYFFRTVPSDNAVNPAILKLLKHYQWKRVGTLTQDVQRFSEVRNDLTGVLYGEDIEISDTESFSNDPCTSVKKLKGNDVRIILGQFDQNMAAKVFCCAYEENMYGSKYQWIIPGWYEPSWWEQVHTEANSSRCLRKNLLAAMEGYIGVDFEPLSSKQIKTISGKTPQQYEREYNNKRSGVGPSKFHGYAYDGIWVIAKTLQRAMETLHASSRHQRIQDFNYTDHTLGRIILNAMNETNFFGVTGQVVFRNGERMGTIKFTQFQDSREVKVGEYNAVADTLEIINDTIRFQGSEPPKDKTIILEQLRKISLPLYSILSALTILGMIMASAFLFFNIKNRNQKLIKMSSPYMNNLIILGGMLSYASIFLFGLDGSFVSEKTFETLCTVRTWILTVGYTTAFGAMFAKTWRVHAIFKNVKMKKKIIKDQKLLVIVGGMLLIDLCILICWQAVDPLRRTVEKYSMEPDPAGRDISIRPLLEHCENTHMTIWLGIVYAYKGLLMLFGCFLAWETRNVSIPALNDSKYIGMSVYNVGIMCIIGAAVSFLTRDQPNVQFCIVALVIIFCSTITLCLVFVPKLITLRTNPDAATQNRRFQFTQNQKKEDSKTSTSVTSVNQASTSRLEGLQSENHRLRMKITELDKDLEEVTMQLQDTPEKTTYIKQNHYQELNDILNLGNFTESTDGGKAILKNHLDQNPQLQWNTTEPSRTCKDPIEDINSPEHIQRRLSLQLPILHHAYLPSIGGVDASCVSPCVSPTASPRHRHVPPSFRVMVSGL
  
Inhibitor
Name:
BDBM50477172
Synonyms:
CHEMBL237582
Type:
Small organic molecule
Emp. Form.:
C22H24F3N3
Mol. Mass.:
387.4413
SMILES:
Cc1ncc(c(NC2C3CC4CC(C3)CC2C4)n1)-c1ccc(cc1)C(F)(F)F |TLB:13:12:16:9.8.7,13:8:11.12.14:16,THB:7:8:11:14.15.16,7:15:11:9.13.8,6:7:11.12.14:16,(4.3,-15.44,;5.84,-15.43,;6.62,-16.77,;8.16,-16.77,;8.92,-15.44,;8.15,-14.1,;8.93,-12.77,;8.1,-11.47,;6.58,-11.44,;6.25,-10.04,;6.75,-8.72,;5.5,-7.5,;5.89,-9.01,;5.31,-10.4,;7.48,-9.03,;8.7,-10.09,;8.25,-8.73,;6.62,-14.1,;10.46,-15.44,;11.23,-16.78,;12.77,-16.78,;13.54,-15.44,;12.76,-14.1,;11.22,-14.11,;15.08,-15.44,;16.61,-15.44,;15.08,-13.9,;15.08,-16.98,)|
Structure:
Search PDB for entries with ligand similarity: