Reaction Details Report a problem with these data
Target
Gamma-aminobutyric acid type B receptor subunit 1/2
Ligand
BDBM50211642
Substrate
n/a
Meas. Tech.
ChEMBL_718425 (CHEMBL1679957)
EC50
500000±n/a nM
Citation
 Gavande, N; Yamamoto, I; Salam, NK; Ai, TH; Burden, PM; Johnston, GA; Hanrahan, JR Novel Cyclic Phosphinic Acids as GABAC ρ Receptor Antagonists: Design, Synthesis, and Pharmacology ACS Med Chem Lett 2:11-16 (2011) [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:
BDBM50211642
Synonyms:
CHEMBL397209 | Methyl(1,2,3,6-tetrahydropyridinium-4-yl)phosphinate | methyl(1,2,3,6-tetrahydropyridin-4-yl)phosphinic acid
Type:
Small organic molecule
Emp. Form.:
C6H12NO2P
Mol. Mass.:
161.1387
SMILES:
CP(O)(=O)C1=CCNCC1 |t:4|
Structure:
Search PDB for entries with ligand similarity: