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Target
Neuronal acetylcholine receptor subunit alpha-3/beta-4
Ligand
BDBM50232601
Substrate
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 Lett 27:1261-1266 (2017) [PubMed]  Article 
Target
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:
MRRAPSLVLFFLVALCGRGNCRVANAEEKLMDDLLNKTRYNNLIRPATSSSQLISIKLQLSLAQLISVNEREQIMTTNVWLKQEWTDYRLTWNSSRYEGVNILRIPAKRIWLPDIVLYNNADGTYEVSVYTNLIVRSNGSVLWLPPAIYKSACKIEVKYFPFDQQNCTLKFRSWTYDHTEIDMVLMTPTASMDDFTPSGEWDIVALPGRRTVNPQDPSYVDVTYDFIIKRKPLFYTINLIIPCVLTTLLAILVFYLPSDCGEKMTLCISVLLALTFFLLLISKIVPPTSLDVPLIGKYLMFTMVLVTFSIVTSVCVLNVHHRSPSTHTMAPWVKRCFLHKLPTFLFMKRPGPDSSPARAFPPSKSCVTKPEATATSTSPSNFYGNSMYFVNPASAASKSPAGSTPVAIPRDFWLRSSGRFRQDVQEALEGVSFIAQHMKNDDEDQSVVEDWKYVAMVVDRLFLWVFMFVCVLGTVGLFLPPLFQTHAASEGPYAAQRD
  
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:
MGSGPLSLPLALSPPRLLLLLLLSLLPVARASEAEHRLFERLFEDYNEIIRPVANVSDPVIIHFEVSMSQLVKVDEVNQIMETNLWLKQIWNDYKLKWNPSDYGGAEFMRVPAQKIWKPDIVLYNNAVGDFQVDDKTKALLKYTGEVTWIPPAIFKSSCKIDVTYFPFDYQNCTMKFGSWSYDKAKIDLVLIGSSMNLKDYWESGEWAIIKAPGYKHDIKYNCCEEIYPDITYSLYIRRLPLFYTINLIIPCLLISFLTVLVFYLPSDCGEKVTLCISVLLSLTVFLLVITETIPSTSLVIPLIGEYLLFTMIFVTLSIVITVFVLNVHYRTPTTHTMPSWVKTVFLNLLPRVMFMTRPTSNEGNAQKPRPLYGAELSNLNCFSRAESKGCKEGYPCQDGMCGYCHHRRIKISNFSANLTRSSSSESVDAVLSLSALSPEIKEAIQSVKYIAENMKAQNEAKEIQDDWKYVAMVIDRIFLWVFTLVCILGTAGLFLQPLMAREDA
  
Inhibitor
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 PDB for entries with ligand similarity: