Reaction Details Report a problem with these data
Target
Neuronal acetylcholine receptor subunit alpha-3/beta-4
Ligand
BDBM50534301
Substrate
n/a
Meas. Tech.
ChEMBL_1928133 (CHEMBL4431205)
Ki
558±n/a nM
Citation
 Sarasamkan, J; Scheunemann, M; Apaijai, N; Palee, S; Parichatikanond, W; Arunrungvichian, K; Fischer, S; Chattipakorn, S; Deuther-Conrad, W; Schüürmann, G; Brust, P; Vajragupta, O Varying Chirality Across Nicotinic Acetylcholine Receptor Subtypes: Selective Binding of Quinuclidine Triazole Compounds. ACS Med Chem Lett 7:890-895 (2016) [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:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Neuronal acetylcholine receptor subunit alpha-3
Synonyms:
Cholinergic, Nicotinic Alpha3Beta4 | Cholinergic, Nicotinic Alpha3Beta4x | Nicotinic acetylcholine receptor alpha6/alpha3/beta4 | Neuronal acetylcholine receptor protein alpha-3 subunit | nicotinic central | ACHA3_HUMAN | CHRNA3 | NACHRA3 | Integrin alpha-5/Neuronal acetylcholine receptor subunit alpha-3/Neuronal acetylcholine receptor subunit beta-2/Neuronal acetylcholine receptor subunit beta-4 | Cholinergic, Nicotinic Alpha3Beta2
Type:
Enzyme Catalytic Domain
Mol. Mass.:
57479.03
Organism:
Human
Description:
Cholinergic, Nicotinic Alpha3Beta2 0 HUMAN::P32297
Residue:
505
Sequence:
MGSGPLSLPLALSPPRLLLLLLLSLLPVARASEAEHRLFERLFEDYNEIIRPVANVSDPVIIHFEVSMSQLVKVDEVNQIMETNLWLKQIWNDYKLKWNPSDYGGAEFMRVPAQKIWKPDIVLYNNAVGDFQVDDKTKALLKYTGEVTWIPPAIFKSSCKIDVTYFPFDYQNCTMKFGSWSYDKAKIDLVLIGSSMNLKDYWESGEWAIIKAPGYKHDIKYNCCEEIYPDITYSLYIRRLPLFYTINLIIPCLLISFLTVLVFYLPSDCGEKVTLCISVLLSLTVFLLVITETIPSTSLVIPLIGEYLLFTMIFVTLSIVITVFVLNVHYRTPTTHTMPSWVKTVFLNLLPRVMFMTRPTSNEGNAQKPRPLYGAELSNLNCFSRAESKGCKEGYPCQDGMCGYCHHRRIKISNFSANLTRSSSSESVDAVLSLSALSPEIKEAIQSVKYIAENMKAQNEAKEIQDDWKYVAMVIDRIFLWVFTLVCILGTAGLFLQPLMAREDA
  
Component 2
Name:
Neuronal acetylcholine receptor subunit beta-4
Synonyms:
Cholinergic, Nicotinic Alpha6Beta3Beta4Alpha5 | ACHB4_HUMAN | CHRNB4 | 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:
Human
Description:
Cholinergic, Nicotinic Alpha6Beta3Beta4Alpha5 0 HUMAN::P30926
Residue:
498
Sequence:
MRRAPSLVLFFLVALCGRGNCRVANAEEKLMDDLLNKTRYNNLIRPATSSSQLISIKLQLSLAQLISVNEREQIMTTNVWLKQEWTDYRLTWNSSRYEGVNILRIPAKRIWLPDIVLYNNADGTYEVSVYTNLIVRSNGSVLWLPPAIYKSACKIEVKYFPFDQQNCTLKFRSWTYDHTEIDMVLMTPTASMDDFTPSGEWDIVALPGRRTVNPQDPSYVDVTYDFIIKRKPLFYTINLIIPCVLTTLLAILVFYLPSDCGEKMTLCISVLLALTFFLLLISKIVPPTSLDVPLIGKYLMFTMVLVTFSIVTSVCVLNVHHRSPSTHTMAPWVKRCFLHKLPTFLFMKRPGPDSSPARAFPPSKSCVTKPEATATSTSPSNFYGNSMYFVNPASAASKSPAGSTPVAIPRDFWLRSSGRFRQDVQEALEGVSFIAQHMKNDDEDQSVVEDWKYVAMVVDRLFLWVFMFVCVLGTVGLFLPPLFQTHAASEGPYAAQRD
  
Inhibitor
Name:
BDBM50534301
Synonyms:
CHEMBL4474896
Type:
Small organic molecule
Emp. Form.:
C17H21FN4O
Mol. Mass.:
316.38
SMILES:
FCCOc1cccc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:15.16,THB:12:15:18.19:22.21,(32.59,-29.82,;31.05,-29.81,;30.27,-31.14,;28.73,-31.13,;27.97,-29.8,;28.75,-28.46,;27.97,-27.12,;26.44,-27.12,;25.67,-28.45,;26.43,-29.79,;24.13,-28.45,;23.08,-29.58,;21.68,-28.93,;21.87,-27.4,;23.38,-27.1,;20.34,-29.68,;20.14,-31.06,;18.6,-30.4,;17.24,-31.04,;17.52,-29.64,;18.87,-29.04,;18.8,-27.4,;18.35,-28.51,)|
Structure:
Search PDB for entries with ligand similarity: