| Reaction Details |
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 | Report a problem with these data |
| Target | Gamma-aminobutyric acid receptor subunit beta-1 |
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| Ligand | BDBM50581248 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2150256 (CHEMBL5034718) |
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| IC50 | >10000±n/a nM |
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| Citation |  Zheng, N; Christensen, SB; Dowell, C; Purushottam, L; Skalicky, JJ; McIntosh, JM; Chou, DH Discovery of Methylene Thioacetal-Incorporated ?-RgIA Analogues as Potent and Stable Antagonists of the Human ?9?10 Nicotinic Acetylcholine Receptor for the Treatment of Neuropathic Pain. J Med Chem64:9513-9524 (2021) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Gamma-aminobutyric acid receptor subunit beta-1 |
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| Name: | Gamma-aminobutyric acid receptor subunit beta-1 |
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| Synonyms: | GABA A receptor alpha-1/beta-1/gamma-2 | GABA(A) receptor subunit beta-1 | GABRB1 | GBRB1_HUMAN | Gamma-aminobutyric acid receptor subunit beta-1 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 54244.51 |
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| Organism: | Homo sapiens (Human) |
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| Description: | EBI_11217 |
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| Residue: | 474 |
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| Sequence: | MWTVQNRESLGLLSFPVMITMVCCAHSTNEPSNMSYVKETVDRLLKGYDIRLRPDFGGPP
VDVGMRIDVASIDMVSEVNMDYTLTMYFQQSWKDKRLSYSGIPLNLTLDNRVADQLWVPD
TYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIE
SYGYTTDDIEFYWNGGEGAVTGVNKIELPQFSIVDYKMVSKKVEFTTGAYPRLSLSFRLK
RNIGYFILQTYMPSTLITILSWVSFWINYDASAARVALGITTVLTMTTISTHLRETLPKI
PYVKAIDIYLMGCFVFVFLALLEYAFVNYIFFGKGPQKKGASKQDQSANEKNKLEMNKVQ
VDAHGNILLSTLEIRNETSGSEVLTSVSDPKATMYSYDSASIQYRKPLSSREAYGRALDR
HGVPSKGRIRRRASQLKVKIPDLTDVNSIDKWSRMFFPITFSLFNVVYWLYYVH
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| BDBM50581248 |
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| n/a |
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| Name | BDBM50581248 |
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| Synonyms: | CHEMBL5090753 |
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| Type | Small organic molecule |
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| Emp. Form. | C69H105IN24O21S4 |
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| Mol. Mass. | 1861.885 |
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| SMILES | C[C@H](O)[C@H]1NC(=O)[C@@H]2NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)O)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CSCS2)C(=O)N[C@H](CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)Cc1ccc(O)cc1)NC(=O)CN |r| |
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| Structure | 
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