Reaction Details |
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Target | Neuronal acetylcholine receptor subunit alpha-3/beta-4 |
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Ligand | BDBM50446484 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1287913 (CHEMBL3112332) |
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Ki | 23400±n/a nM |
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Citation | Wu, J; Zhang, Y; Maida, LE; Santos, RG; Welmaker, GS; LaVoi, TM; Nefzi, A; Yu, Y; Houghten, RA; Toll, L; Giulianotti, MA Scaffold ranking and positional scanning utilized in the discovery of nAChR-selective compounds suitable for optimization studies. J Med Chem56:10103-17 (2013) [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 |
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 |
Type: | Protein |
Mol. Mass.: | n/a |
Description: | n/a |
Components: | This complex has 2 components. |
Component 1 |
Name: | Neuronal acetylcholine receptor subunit alpha-3 |
Synonyms: | ACHA3_RAT | Acra3 | Chrna3 |
Type: | Enzyme |
Mol. Mass.: | 56995.52 |
Organism: | Rattus norvegicus (Rat) |
Description: | P04757 |
Residue: | 499 |
Sequence: | MGVVLLPPPLSMLMLVLMLLPAASASEAEHRLFQYLFEDYNEIIRPVANVSHPVIIQFEV
SMSQLVKVDEVNQIMETNLWLKQIWNDYKLKWKPSDYQGVEFMRVPAEKIWKPDIVLYNN
ADGDFQVDDKTKALLKYTGEVTWIPPAIFKSSCKIDVTYFPFDYQNCTMKFGSWSYDKAK
IDLVLIGSSMNLKDYWESGEWAIIKAPGYKHEIKYNCCEEIYQDITYSLYIRRLPLFYTI
NLIIPCLLISFLTVLVFYLPSDCGEKVTLCISVLLSLTVFLLVITETIPSTSLVIPLIGE
YLLFTMIFVTLSIVITVFVLNVHYRTPTTHTMPTWVKAVFLNLLPRVMFMTRPTSGEGDT
PKTRTFYGAELSNLNCFSRADSKSCKEGYPCQDGTCGYCHHRRVKISNFSANLTRSSSSE
SVNAVLSLSALSPEIKEAIQSVKYIAENMKAQNVAKEIQDDWKYVAMVIDRIFLWVFILV
CILGTAGLFLQPLMARDDT
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Component 2 |
Name: | Neuronal acetylcholine receptor subunit beta-4 |
Synonyms: | ACHB4_RAT | Acrb4 | Chrnb4 | N-alpha 2 | Neuronal acetylcholine receptor non-alpha-2
chain | Neuronal acetylcholine receptor protein beta-4 subunit |
Type: | Enzyme |
Mol. Mass.: | 55863.89 |
Organism: | Rattus norvegicus (Rat) |
Description: | P12392 |
Residue: | 495 |
Sequence: | MRGTPLLLVSLFSLLQDGDCRLANAEEKLMDDLLNKTRYNNLIRPATSSSQLISIRLELS
LSQLISVNEREQIMTTSIWLKQEWTDYRLAWNSSCYEGVNILRIPAKRVWLPDIVLYNNA
DGTYEVSVYTNVIVRSNGSIQWLPPAIYKSACKIEVKHFPFDQQNCTLKFRSWTYDHTEI
DMVLKSPTAIMDDFTPSGEWDIVALPGRRTVNPQDPSYVDVTYDFIIKRKPLFYTINLII
PCVLITSLAILVFYLPSDCGEKMTLCISVLLALTFFLLLISKIVPPTSLDIPLIGKYLLF
TMVLVTFSIVTTVCVLNVHHRSPSTHTMASWVKECFLHKLPTFLFMKRPGLEVSLVRVPH
PSQLHLATADTAATSALGPTSPSNLYGSSMYFVNPVPAAPKSAVSSHTAGLPRDARLRSS
GRFREDLQEALEGVSFIAQHLESDDRDQSVIEDWKFVAMVVDRLFLWVFVFVCILGTMGL
FLPPLFQIHAPSKDS
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BDBM50446484 |
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n/a |
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Name | BDBM50446484 |
Synonyms: | CHEMBL3110040 |
Type | Small organic molecule |
Emp. Form. | C32H53BrN6 |
Mol. Mass. | 601.707 |
SMILES | CCCCCCCN1[C@@H](CCCCN2C[C@@H](CC3CCCCC3)N(CCc3cccc(Br)c3)C2=N)CN=C1N |r,c:39| |
Structure |
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