| Reaction Details |
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 | Report a problem with these data |
| Target | Neuronal acetylcholine receptor subunit alpha-3/beta-4 |
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| Ligand | BDBM50246834 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1676966 (CHEMBL4027109) |
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| Ki | 125±n/a nM |
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| Citation |  Wu, J; Cippitelli, A; Zhang, Y; Debevec, G; Schoch, J; Ozawa, A; Yu, Y; Liu, H; Chen, W; Houghten, RA; Welmaker, GS; Giulianotti, MA; Toll, L Highly Selective and Potent?4?2 nAChR Antagonist Inhibits Nicotine Self-Administration and Reinstatement in Rats. J Med Chem60:10092-10104 (2017) [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-3/beta-4 |
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| Name: | Neuronal acetylcholine receptor subunit alpha-3/beta-4 |
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| Synonyms: | Neuronal acetylcholine receptor Alpha-3/Beta-4 | Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit | Neuronal acetylcholine receptor; alpha3/beta4 | nAChR subtypes alpha3 beta4 |
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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-3 |
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| Synonyms: | ACHA3_RAT | Acra3 | Chrna3 |
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| Type: | Enzyme |
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| Mol. Mass.: | 56995.52 |
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| Organism: | Rattus norvegicus (Rat) |
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| Description: | P04757 |
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| Residue: | 499 |
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| Sequence: | MGVVLLPPPLSMLMLVLMLLPAASASEAEHRLFQYLFEDYNEIIRPVANVSHPVIIQFEV
SMSQLVKVDEVNQIMETNLWLKQIWNDYKLKWKPSDYQGVEFMRVPAEKIWKPDIVLYNN
ADGDFQVDDKTKALLKYTGEVTWIPPAIFKSSCKIDVTYFPFDYQNCTMKFGSWSYDKAK
IDLVLIGSSMNLKDYWESGEWAIIKAPGYKHEIKYNCCEEIYQDITYSLYIRRLPLFYTI
NLIIPCLLISFLTVLVFYLPSDCGEKVTLCISVLLSLTVFLLVITETIPSTSLVIPLIGE
YLLFTMIFVTLSIVITVFVLNVHYRTPTTHTMPTWVKAVFLNLLPRVMFMTRPTSGEGDT
PKTRTFYGAELSNLNCFSRADSKSCKEGYPCQDGTCGYCHHRRVKISNFSANLTRSSSSE
SVNAVLSLSALSPEIKEAIQSVKYIAENMKAQNVAKEIQDDWKYVAMVIDRIFLWVFILV
CILGTAGLFLQPLMARDDT
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| Component 2 |
| Name: | Neuronal acetylcholine receptor subunit beta-4 |
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| Synonyms: | ACHB4_RAT | Acrb4 | Chrnb4 | N-alpha 2 | Neuronal acetylcholine receptor non-alpha-2
chain | Neuronal acetylcholine receptor protein beta-4 subunit |
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| Type: | Enzyme |
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| Mol. Mass.: | 55863.89 |
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| Organism: | Rattus norvegicus (Rat) |
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| Description: | P12392 |
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| Residue: | 495 |
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| Sequence: | MRGTPLLLVSLFSLLQDGDCRLANAEEKLMDDLLNKTRYNNLIRPATSSSQLISIRLELS
LSQLISVNEREQIMTTSIWLKQEWTDYRLAWNSSCYEGVNILRIPAKRVWLPDIVLYNNA
DGTYEVSVYTNVIVRSNGSIQWLPPAIYKSACKIEVKHFPFDQQNCTLKFRSWTYDHTEI
DMVLKSPTAIMDDFTPSGEWDIVALPGRRTVNPQDPSYVDVTYDFIIKRKPLFYTINLII
PCVLITSLAILVFYLPSDCGEKMTLCISVLLALTFFLLLISKIVPPTSLDIPLIGKYLLF
TMVLVTFSIVTTVCVLNVHHRSPSTHTMASWVKECFLHKLPTFLFMKRPGLEVSLVRVPH
PSQLHLATADTAATSALGPTSPSNLYGSSMYFVNPVPAAPKSAVSSHTAGLPRDARLRSS
GRFREDLQEALEGVSFIAQHLESDDRDQSVIEDWKFVAMVVDRLFLWVFVFVCILGTMGL
FLPPLFQIHAPSKDS
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| BDBM50246834 |
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| n/a |
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| Name | BDBM50246834 |
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| Synonyms: | CHEMBL4067640 |
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| Type | Small organic molecule |
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| Emp. Form. | C11H15ClN4 |
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| Mol. Mass. | 238.717 |
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| SMILES | C[C@H]1CNC(=N)N1CCc1ccc(Cl)nc1 |r| |
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| Structure | 
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