| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Neuronal acetylcholine receptor subunit alpha-3/beta-4 |
|---|
| Ligand | BDBM50232601 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1648187 (CHEMBL3997243) |
|---|
| EC50 | >100000±n/a nM |
|---|
| Citation |  Iwuagwu, C; King, D; McDonald, IM; Cook, J; Zusi, FC; Hill, MD; Mate, RA; Fang, H; Knox, R; Gallagher, L; Post-Munson Amy Easton, D; Miller, R; Benitex, Y; Siuciak, J; Lodge, N; Zaczek, R; Morgan, D; Bristow, L; Macor, JE; Olson, RE Design and synthesis of a novel series of 4-heteroarylamino-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octanes asa7 nicotinic receptor agonists 2. Development of 4-heteroaryl SAR. Bioorg Med Chem Lett27:1261-1266 (2017) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Neuronal acetylcholine receptor subunit alpha-3/beta-4 |
|---|
| Name: | Neuronal acetylcholine receptor subunit alpha-3/beta-4 |
|---|
| Synonyms: | Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit | Neuronal acetylcholine receptor; alpha3/beta4 |
|---|
| Type: | n/a |
|---|
| Mol. Mass.: | n/a |
|---|
| Description: | ASSAY_ID of ChEMBL is 1970247 |
|---|
| 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
|
|
|
|---|
| Component 2 |
| Name: | Neuronal acetylcholine receptor subunit alpha-3 |
|---|
| Synonyms: | ACHA3_HUMAN | CHRNA3 | Cholinergic, Nicotinic Alpha3Beta2 | Cholinergic, Nicotinic Alpha3Beta4 | Cholinergic, Nicotinic Alpha3Beta4x | Integrin alpha-5/Neuronal acetylcholine receptor subunit alpha-3/Neuronal acetylcholine receptor subunit beta-2/Neuronal acetylcholine receptor subunit beta-4 | NACHRA3 | Neuronal acetylcholine receptor protein alpha-3 subunit | Neuronal acetylcholine receptor subunit alpha-3 | Nicotinic acetylcholine receptor alpha6/alpha3/beta4 | nicotinic central |
|---|
| Type: | Enzyme Catalytic Domain |
|---|
| Mol. Mass.: | 57479.03 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | Cholinergic, Nicotinic Alpha3Beta2 0 HUMAN::P32297 |
|---|
| Residue: | 505 |
|---|
| Sequence: | MGSGPLSLPLALSPPRLLLLLLLSLLPVARASEAEHRLFERLFEDYNEIIRPVANVSDPV
IIHFEVSMSQLVKVDEVNQIMETNLWLKQIWNDYKLKWNPSDYGGAEFMRVPAQKIWKPD
IVLYNNAVGDFQVDDKTKALLKYTGEVTWIPPAIFKSSCKIDVTYFPFDYQNCTMKFGSW
SYDKAKIDLVLIGSSMNLKDYWESGEWAIIKAPGYKHDIKYNCCEEIYPDITYSLYIRRL
PLFYTINLIIPCLLISFLTVLVFYLPSDCGEKVTLCISVLLSLTVFLLVITETIPSTSLV
IPLIGEYLLFTMIFVTLSIVITVFVLNVHYRTPTTHTMPSWVKTVFLNLLPRVMFMTRPT
SNEGNAQKPRPLYGAELSNLNCFSRAESKGCKEGYPCQDGMCGYCHHRRIKISNFSANLT
RSSSSESVDAVLSLSALSPEIKEAIQSVKYIAENMKAQNEAKEIQDDWKYVAMVIDRIFL
WVFTLVCILGTAGLFLQPLMAREDA
|
|
|
|---|
| BDBM50232601 |
|---|
| n/a |
|---|
| Name | BDBM50232601 |
|---|
| Synonyms: | CHEMBL4079623 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C14H19N5O2 |
|---|
| Mol. Mass. | 289.333 |
|---|
| SMILES | COc1cc(NC2=NC[C@@]3(CN4CCC3CC4)O2)ncn1 |r,wU:9.18,t:6,TLB:17:9:13.12:15.16,THB:8:9:13.12:15.16,(56.71,-39.75,;57.48,-41.09,;56.71,-42.42,;55.17,-42.43,;54.41,-43.76,;52.87,-43.76,;52.1,-45.1,;52.72,-46.51,;51.57,-47.53,;50.24,-46.76,;50.23,-48.18,;48.06,-47.64,;48.07,-45.84,;48.64,-44.56,;48.71,-46.09,;47.31,-46.85,;46.99,-48.4,;50.56,-45.26,;55.18,-45.1,;56.72,-45.1,;57.49,-43.77,)| |
|---|
| Structure | 
|
|---|
Search and Browse
