| Reaction Details |
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 | Report a problem with these data |
| Target | Neuronal acetylcholine receptor subunit alpha-2/beta-2 |
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| Ligand | BDBM50170586 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_306274 (CHEMBL827551) |
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| IC50 | 0.75±n/a nM |
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| Citation |  Jensen, AA; Frølund, B; Liljefors, T; Krogsgaard-Larsen, P Neuronal nicotinic acetylcholine receptors: structural revelations, target identifications, and therapeutic inspirations. J Med Chem48:4705-45 (2005) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Neuronal acetylcholine receptor subunit alpha-2/beta-2 |
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| Name: | Neuronal acetylcholine receptor subunit alpha-2/beta-2 |
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| Synonyms: | Neuronal acetylcholine receptor Alpha-2/Beta-2 | Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit | Neuronal acetylcholine receptor; alpha2/beta2 | Neuronal acetylcholine recetpor; alpha2/beta2 |
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| Type: | Protein |
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| Mol. Mass.: | n/a |
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| Description: | n/a |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Neuronal acetylcholine receptor subunit alpha-2 |
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| Synonyms: | ACHA2_HUMAN | CHRNA2 | Neuronal acetylcholine receptor; alpha2/beta2 |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 59759.69 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Cholinergic, Nicotinic Alpha2Beta2 0 HUMAN::Q15822 |
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| Residue: | 529 |
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| Sequence: | MGPSCPVFLSFTKLSLWWLLLTPAGGEEAKRPPPRAPGDPLSSPSPTALPQGGSHTETED
RLFKHLFRGYNRWARPVPNTSDVVIVRFGLSIAQLIDVDEKNQMMTTNVWLKQEWSDYKL
RWNPTDFGNITSLRVPSEMIWIPDIVLYNNADGEFAVTHMTKAHLFSTGTVHWVPPAIYK
SSCSIDVTFFPFDQQNCKMKFGSWTYDKAKIDLEQMEQTVDLKDYWESGEWAIVNATGTY
NSKKYDCCAEIYPDVTYAFVIRRLPLFYTINLIIPCLLISCLTVLVFYLPSDCGEKITLC
ISVLLSLTVFLLLITEIIPSTSLVIPLIGEYLLFTMIFVTLSIVITVFVLNVHHRSPSTH
TMPHWVRGALLGCVPRWLLMNRPPPPVELCHPLRLKLSPSYHWLESNVDAEEREVVVEEE
DRWACAGHVAPSVGTLCSHGHLHSGASGPKAEALLQEGELLLSPHMQKALEGVHYIADHL
RSEDADSSVKEDWKYVAMVIDRIFLWLFIIVCFLGTIGLFLPPFLAGMI
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| Component 2 |
| Name: | Neuronal acetylcholine receptor subunit beta-2 |
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| Synonyms: | ACHB2_HUMAN | CHRNB2 | Neuronal acetylcholine receptor protein beta-2 subunit | Nicotinic acetylcholine receptor alpha3/beta2/alpha5 |
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| Type: | Protein |
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| Mol. Mass.: | 57020.50 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P17787 |
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| Residue: | 502 |
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| Sequence: | MARRCGPVALLLGFGLLRLCSGVWGTDTEERLVEHLLDPSRYNKLIRPATNGSELVTVQL
MVSLAQLISVHEREQIMTTNVWLTQEWEDYRLTWKPEEFDNMKKVRLPSKHIWLPDVVLY
NNADGMYEVSFYSNAVVSYDGSIFWLPPAIYKSACKIEVKHFPFDQQNCTMKFRSWTYDR
TEIDLVLKSEVASLDDFTPSGEWDIVALPGRRNENPDDSTYVDITYDFIIRRKPLFYTIN
LIIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSLDVPLVGKY
LMFTMVLVTFSIVTSVCVLNVHHRSPTTHTMAPWVKVVFLEKLPALLFMQQPRHHCARQR
LRLRRRQREREGAGALFFREAPGADSCTCFVNRASVQGLAGAFGAEPAPVAGPGRSGEPC
GCGLREAVDGVRFIADHMRSEDDDQSVSEDWKYVAMVIDRLFLWIFVFVCVFGTIGMFLQ
PLFQNYTTTTFLHSDHSAPSSK
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| BDBM50170586 |
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| n/a |
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| Name | BDBM50170586 |
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| Synonyms: | (3S)-3-{[(2S)-1-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2R)-2-{[(2S)-1-{[(2S)-1-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-phenylpropanamido]propanamido]-3-hydroxybutanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-{[(2R)-1-oxo-3-sulfanylpropan-2-yl]carbamoyl}propanoic acid | CHEMBL429557 |
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| Type | Small organic molecule |
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| Emp. Form. | C65H92N16O21S4 |
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| Mol. Mass. | 1561.781 |
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| SMILES | C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CS)C=O |
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| Structure | 
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