| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Neuronal acetylcholine receptor subunit alpha-3/beta-4 |
|---|
| Ligand | BDBM50232597 |
|---|
| 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
|
|
|
|---|
| BDBM50232597 |
|---|
| n/a |
|---|
| Name | BDBM50232597 |
|---|
| Synonyms: | CHEMBL4092614 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C13H17N5O |
|---|
| Mol. Mass. | 259.307 |
|---|
| SMILES | C1N=C(Nc2cncnc2)O[C@]11CN2CCC1CC2 |r,wU:11.11,t:1,TLB:10:11:15.14:17.18,THB:0:11:15.14:17.18,(16.17,-17.15,;17.32,-16.12,;16.69,-14.71,;17.47,-13.38,;19.01,-13.38,;19.77,-14.72,;21.32,-14.72,;22.08,-13.38,;21.31,-12.04,;19.77,-12.05,;15.16,-14.87,;14.84,-16.38,;14.83,-17.79,;12.66,-17.26,;12.67,-15.46,;13.24,-14.18,;13.31,-15.71,;11.91,-16.47,;11.59,-18.02,)| |
|---|
| Structure | 
|
|---|
Search and Browse
