Reaction Details |
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Target | Neuronal acetylcholine receptor; alpha2/beta4 |
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Ligand | BDBM50400739 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_880410 (CHEMBL2210093) |
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Ki | 1820±n/a nM |
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Citation | Yu, LF; Zhang, HK; Gunosewoyo, H; Kozikowski, AP From a4ß2 Nicotinic Ligands to the Discovery of s1 Receptor Ligands: Pharmacophore Analysis and Rational Design. ACS Med Chem Lett3:1054-1058 (2012) [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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BDBM50400739 |
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n/a |
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Name | BDBM50400739 |
Synonyms: | CHEMBL2203550 |
Type | Small organic molecule |
Emp. Form. | C13H14ClN3O3 |
Mol. Mass. | 295.722 |
SMILES | Clc1cncc(OCc2cc(OC[C@@H]3CCN3)no2)c1 |r| |
Structure |
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