Reaction Details |
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Target | Neuronal acetylcholine receptor; alpha2/beta4 |
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Ligand | BDBM50170598 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_304195 (CHEMBL830024) |
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EC50 | >100000±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; alpha2/beta4 |
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Name: | Neuronal acetylcholine receptor; alpha2/beta4 |
Synonyms: | Neuronal acetylcholine receptor protein alpha-2 subunit/subunit beta-4 | Neuronal acetylcholine receptor subunit alpha-2/beta-4 |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 2150172 |
Components: | This complex has 2 components. |
Component 1 |
Name: | Neuronal acetylcholine receptor subunit beta-4 |
Synonyms: | ACHB4_HUMAN | CHRNB4 | Cholinergic, Nicotinic Alpha6Beta3Beta4Alpha5 | Integrin alpha-5/Neuronal acetylcholine receptor subunit alpha-3/Neuronal acetylcholine receptor subunit beta-2/Neuronal acetylcholine receptor subunit beta-4 | Nicotinic acetylcholine receptor alpha6/alpha3/beta4 |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 56388.51 |
Organism: | Homo sapiens (Human) |
Description: | Cholinergic, Nicotinic Alpha6Beta3Beta4Alpha5 0 HUMAN::P30926 |
Residue: | 498 |
Sequence: | MRRAPSLVLFFLVALCGRGNCRVANAEEKLMDDLLNKTRYNNLIRPATSSSQLISIKLQL
SLAQLISVNEREQIMTTNVWLKQEWTDYRLTWNSSRYEGVNILRIPAKRIWLPDIVLYNN
ADGTYEVSVYTNLIVRSNGSVLWLPPAIYKSACKIEVKYFPFDQQNCTLKFRSWTYDHTE
IDMVLMTPTASMDDFTPSGEWDIVALPGRRTVNPQDPSYVDVTYDFIIKRKPLFYTINLI
IPCVLTTLLAILVFYLPSDCGEKMTLCISVLLALTFFLLLISKIVPPTSLDVPLIGKYLM
FTMVLVTFSIVTSVCVLNVHHRSPSTHTMAPWVKRCFLHKLPTFLFMKRPGPDSSPARAF
PPSKSCVTKPEATATSTSPSNFYGNSMYFVNPASAASKSPAGSTPVAIPRDFWLRSSGRF
RQDVQEALEGVSFIAQHMKNDDEDQSVVEDWKYVAMVVDRLFLWVFMFVCVLGTVGLFLP
PLFQTHAASEGPYAAQRD
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Component 2 |
Name: | Neuronal acetylcholine receptor subunit alpha-2 |
Synonyms: | ACHA2_HUMAN | CHRNA2 | Neuronal acetylcholine receptor; alpha2/beta2 |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 59759.69 |
Organism: | Homo sapiens (Human) |
Description: | Cholinergic, Nicotinic Alpha2Beta2 0 HUMAN::Q15822 |
Residue: | 529 |
Sequence: | MGPSCPVFLSFTKLSLWWLLLTPAGGEEAKRPPPRAPGDPLSSPSPTALPQGGSHTETED
RLFKHLFRGYNRWARPVPNTSDVVIVRFGLSIAQLIDVDEKNQMMTTNVWLKQEWSDYKL
RWNPTDFGNITSLRVPSEMIWIPDIVLYNNADGEFAVTHMTKAHLFSTGTVHWVPPAIYK
SSCSIDVTFFPFDQQNCKMKFGSWTYDKAKIDLEQMEQTVDLKDYWESGEWAIVNATGTY
NSKKYDCCAEIYPDVTYAFVIRRLPLFYTINLIIPCLLISCLTVLVFYLPSDCGEKITLC
ISVLLSLTVFLLLITEIIPSTSLVIPLIGEYLLFTMIFVTLSIVITVFVLNVHHRSPSTH
TMPHWVRGALLGCVPRWLLMNRPPPPVELCHPLRLKLSPSYHWLESNVDAEEREVVVEEE
DRWACAGHVAPSVGTLCSHGHLHSGASGPKAEALLQEGELLLSPHMQKALEGVHYIADHL
RSEDADSSVKEDWKYVAMVIDRIFLWLFIIVCFLGTIGLFLPPFLAGMI
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BDBM50170598 |
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n/a |
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Name | BDBM50170598 |
Synonyms: | 5'-phenyl-3'H-4-azaspiro[bicyclo[2.2.2]octane-2,2'-furo[2,3-b]pyridine] | CHEMBL189861 |
Type | Small organic molecule |
Emp. Form. | C19H20N2O |
Mol. Mass. | 292.3749 |
SMILES | C1c2cc(cnc2OC11CN2CCC1CC2)-c1ccccc1 |TLB:7:8:14.15:12.11,(6.42,-1.42,;7.72,-.59,;9.2,-.98,;10.3,.11,;9.9,1.6,;8.4,2,;7.31,.9,;5.79,1,;5.23,-.45,;4.43,-1.59,;2.85,-.63,;2.85,.74,;3.67,1.56,;3.69,.48,;1.97,-.29,;1.2,-1.52,;11.79,-.29,;12.86,.81,;14.36,.39,;14.75,-1.1,;13.66,-2.18,;12.18,-1.78,)| |
Structure |
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