| Reaction Details |
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 | Report a problem with these data |
| Target | Neuronal acetylcholine receptor subunit alpha-4/beta-2 |
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| Ligand | BDBM50500421 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1546367 (CHEMBL3748598) |
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| Ki | 1000±n/a nM |
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| Citation |  Ouach, A; Pin, F; Bertrand, E; Vercouillie, J; Gulhan, Z; Mothes, C; Deloye, JB; Guilloteau, D; Suzenet, F; Chalon, S; Routier, S Design of ?7 nicotinic acetylcholine receptor ligands using the (het)Aryl-1,2,3-triazole core: Synthesis, in vitro evaluation and SAR studies. Eur J Med Chem107:153-64 (2016) [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-4/beta-2 |
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| Name: | Neuronal acetylcholine receptor subunit alpha-4/beta-2 |
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| Synonyms: | Neuronal acetylcholine receptor Alpha-4/Beta-2 | Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit | Neuronal acetylcholine receptor; alpha4/beta2 | nAChR subtypes alpha4 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-4 |
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| Synonyms: | ACHA4_HUMAN | CHRNA4 | CHRNA4 protein | NACRA4 | Neuronal acetylcholine receptor protein alpha-4 subunit | Neuronal acetylcholine receptor subunit alpha 4 beta 2 | Nicotinic acetylcholine receptor alpha4/beta2/alpha5 |
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| Type: | n/a |
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| Mol. Mass.: | 69963.49 |
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| Organism: | Homo sapiens (Human) |
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| Description: | NACHRA4 |
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| Residue: | 627 |
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| Sequence: | MELGGPGAPRLLPPLLLLLGTGLLRASSHVETRAHAEERLLKKLFSGYNKWSRPVANISD
VVLVRFGLSIAQLIDVDEKNQMMTTNVWVKQEWHDYKLRWDPADYENVTSIRIPSELIWR
PDIVLYNNADGDFAVTHLTKAHLFHDGRVQWTPPAIYKSSCSIDVTFFPFDQQNCTMKFG
SWTYDKAKIDLVNMHSRVDQLDFWESGEWVIVDAVGTYNTRKYECCAEIYPDITYAFVIR
RLPLFYTINLIIPCLLISCLTVLVFYLPSECGEKITLCISVLLSLTVFLLLITEIIPSTS
LVIPLIGEYLLFTMIFVTLSIVITVFVLNVHHRSPRTHTMPTWVRRVFLDIVPRLLLMKR
PSVVKDNCRRLIESMHKMASAPRFWPEPEGEPPATSGTQSLHPPSPSFCVPLDVPAEPGP
SCKSPSDQLPPQQPLEAEKASPHPSPGPCRPPHGTQAPGLAKARSLSVQHMSSPGEAVEG
GVRCRSRSIQYCVPRDDAAPEADGQAAGALASRNTHSAELPPPDQPSPCKCTCKKEPSSV
SPSATVKTRSTKAPPPHLPLSPALTRAVEGVQYIADHLKAEDTDFSVKEDWKYVAMVIDR
IFLWMFIIVCLLGTVGLFLPPWLAGMI
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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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| BDBM50500421 |
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| n/a |
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| Name | BDBM50500421 |
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| Synonyms: | CHEMBL3747344 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H18N4O |
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| Mol. Mass. | 294.351 |
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| SMILES | C1CN2CCC1[C@H](C2)n1cc(nn1)-c1ccc2occc2c1 |r,wD:6.9,(5.21,-2.38,;5.21,-4.01,;3.81,-4.82,;4.33,-3.38,;3.26,-2.73,;3.81,-1.57,;2.43,-2.41,;2.41,-4.02,;1.04,-1.6,;.91,-.08,;-.59,.25,;-1.37,-1.07,;-.35,-2.22,;-1.2,1.67,;-.38,2.96,;-1.1,4.34,;-2.64,4.39,;-3.62,5.57,;-5.05,4.99,;-4.95,3.48,;-3.46,3.1,;-2.76,1.72,)| |
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| Structure | 
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