| Reaction Details |
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 | Report a problem with these data |
| Target | Gamma-aminobutyric acid type B receptor subunit 1/2 |
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| Ligand | BDBM50570462 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2112343 (CHEMBL4821193) |
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| IC50 | 21±n/a nM |
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| Citation |  Belgi, A; Burnley, JV; MacRaild, CA; Chhabra, S; Elnahriry, KA; Robinson, SD; Gooding, SG; Tae, HS; Bartels, P; Sadeghi, M; Zhao, FY; Wei, H; Spanswick, D; Adams, DJ; Norton, RS; Robinson, AJ Alkyne-Bridged ?-Conotoxin Vc1.1 Potently Reverses Mechanical Allodynia in Neuropathic Pain Models. J Med Chem64:3222-3233 (2021) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Gamma-aminobutyric acid type B receptor subunit 1/2 |
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| Name: | Gamma-aminobutyric acid type B receptor subunit 1/2 |
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| Synonyms: | GABA-B receptor | GABA-B receptor 1/2 |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of EBI is 68423 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Gamma-aminobutyric acid type B receptor subunit 1 |
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| Synonyms: | GABA-B receptor | GABA-B receptor 1 | GABA-B-R1 | GABA-BR1 | GABBR1 | GABR1_HUMAN | GARABR1 | GPRC3A | Gb1 |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 108337.22 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q9UBS5 |
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| Residue: | 961 |
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| Sequence: | MLLLLLLAPLFLRPPGAGGAQTPNATSEGCQIIHPPWEGGIRYRGLTRDQVKAINFLPVD
YEIEYVCRGEREVVGPKVRKCLANGSWTDMDTPSRCVRICSKSYLTLENGKVFLTGGDLP
ALDGARVDFRCDPDFHLVGSSRSICSQGQWSTPKPHCQVNRTPHSERRAVYIGALFPMSG
GWPGGQACQPAVEMALEDVNSRRDILPDYELKLIHHDSKCDPGQATKYLYELLYNDPIKI
ILMPGCSSVSTLVAEAARMWNLIVLSYGSSSPALSNRQRFPTFFRTHPSATLHNPTRVKL
FEKWGWKKIATIQQTTEVFTSTLDDLEERVKEAGIEITFRQSFFSDPAVPVKNLKRQDAR
IIVGLFYETEARKVFCEVYKERLFGKKYVWFLIGWYADNWFKIYDPSINCTVDEMTEAVE
GHITTEIVMLNPANTRSISNMTSQEFVEKLTKRLKRHPEETGGFQEAPLAYDAIWALALA
LNKTSGGGGRSGVRLEDFNYNNQTITDQIYRAMNSSSFEGVSGHVVFDASGSRMAWTLIE
QLQGGSYKKIGYYDSTKDDLSWSKTDKWIGGSPPADQTLVIKTFRFLSQKLFISVSVLSS
LGIVLAVVCLSFNIYNSHVRYIQNSQPNLNNLTAVGCSLALAAVFPLGLDGYHIGRNQFP
FVCQARLWLLGLGFSLGYGSMFTKIWWVHTVFTKKEEKKEWRKTLEPWKLYATVGLLVGM
DVLTLAIWQIVDPLHRTIETFAKEEPKEDIDVSILPQLEHCSSRKMNTWLGIFYGYKGLL
LLLGIFLAYETKSVSTEKINDHRAVGMAIYNVAVLCLITAPVTMILSSQQDAAFAFASLA
IVFSSYITLVVLFVPKMRRLITRGEWQSEAQDTMKTGSSTNNNEEEKSRLLEKENRELEK
IIAEKEERVSELRHQLQSRQQLRSRRHPPTPPEPSGGLPRGPPEPPDRLSCDGSRVHLLY
K
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| Component 2 |
| Name: | Gamma-aminobutyric acid type B receptor subunit 2 |
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| Synonyms: | GABA-B receptor | GABBR2 | GABR2_HUMAN | GPR51 | GPRC3B |
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| Type: | PROTEIN |
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| Mol. Mass.: | 105844.45 |
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| Organism: | Homo sapiens (Human) |
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| Description: | EBI_100031 |
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| Residue: | 941 |
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| Sequence: | MASPRSSGQPGPPPPPPPPPARLLLLLLLPLLLPLAPGAWGWARGAPRPPPSSPPLSIMG
LMPLTKEVAKGSIGRGVLPAVELAIEQIRNESLLRPYFLDLRLYDTECDNAKGLKAFYDA
IKYGPNHLMVFGGVCPSVTSIIAESLQGWNLVQLSFAATTPVLADKKKYPYFFRTVPSDN
AVNPAILKLLKHYQWKRVGTLTQDVQRFSEVRNDLTGVLYGEDIEISDTESFSNDPCTSV
KKLKGNDVRIILGQFDQNMAAKVFCCAYEENMYGSKYQWIIPGWYEPSWWEQVHTEANSS
RCLRKNLLAAMEGYIGVDFEPLSSKQIKTISGKTPQQYEREYNNKRSGVGPSKFHGYAYD
GIWVIAKTLQRAMETLHASSRHQRIQDFNYTDHTLGRIILNAMNETNFFGVTGQVVFRNG
ERMGTIKFTQFQDSREVKVGEYNAVADTLEIINDTIRFQGSEPPKDKTIILEQLRKISLP
LYSILSALTILGMIMASAFLFFNIKNRNQKLIKMSSPYMNNLIILGGMLSYASIFLFGLD
GSFVSEKTFETLCTVRTWILTVGYTTAFGAMFAKTWRVHAIFKNVKMKKKIIKDQKLLVI
VGGMLLIDLCILICWQAVDPLRRTVEKYSMEPDPAGRDISIRPLLEHCENTHMTIWLGIV
YAYKGLLMLFGCFLAWETRNVSIPALNDSKYIGMSVYNVGIMCIIGAAVSFLTRDQPNVQ
FCIVALVIIFCSTITLCLVFVPKLITLRTNPDAATQNRRFQFTQNQKKEDSKTSTSVTSV
NQASTSRLEGLQSENHRLRMKITELDKDLEEVTMQLQDTPEKTTYIKQNHYQELNDILNL
GNFTESTDGGKAILKNHLDQNPQLQWNTTEPSRTCKDPIEDINSPEHIQRRLSLQLPILH
HAYLPSIGGVDASCVSPCVSPTASPRHRHVPPSFRVMVSGL
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| BDBM50570462 |
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| n/a |
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| Name | BDBM50570462 |
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| Synonyms: | CHEMBL4856595 |
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| Type | Small organic molecule |
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| Emp. Form. | C71H103N23O25S4 |
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| Mol. Mass. | 1806.977 |
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| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CSSC[C@H](NC1=O)C(N)=O)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| |
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| Structure | 
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