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Target
Neuronal acetylcholine receptor subunit beta-2/beta-4
Ligand
BDBM50270377
Substrate
n/a
Meas. Tech.
ChEMBL_1708058 (CHEMBL4059291)
IC50
>100000±n/a nM
Citation
 Crestey, F; Jensen, AA; Soerensen, C; Magnus, CB; Andreasen, JT; Peters, GHJ; Kristensen, JL Dual Nicotinic Acetylcholine Receptor ?4?2 Antagonists/?7 Agonists: Synthesis, Docking Studies, and Pharmacological Evaluation of Tetrahydroisoquinolines and Tetrahydroisoquinolinium Salts. J Med Chem 61:1719-1729 (2018) [PubMed]  Article 
Target
Name:
Neuronal acetylcholine receptor subunit beta-2/beta-4
Synonyms:
Nicotinic acetylcholine receptor alpha-4/beta-2
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1335312
Components:
This complex has 2 components.
Component 1
Name:
Neuronal acetylcholine receptor subunit beta-4
Synonyms:
ACHB4_MOUSE | Acrb4 | Chrnb4
Type:
PROTEIN
Mol. Mass.:
55814.93
Organism:
Mus musculus
Description:
ChEMBL_108396
Residue:
495
Sequence:
MRGTPLLLVSLFALLQPGDCRLANAEEKLMDDLLNKTRYNNLIRPATSSSQLISIRLELSLSQLISVNEREQIMTTSIWLKQEWTDYRLAWNSSCYEGVNILRIPAKRVWLPDIVLYNNADGTYEVSVYTNVIVRSNGSIQWLPPAIYKSACKIEVKHFPFDQQNCTLKFRSWTYDHTEIDMVLKSPTAIMDDFTPSGEWDIVALPGRRTVNPQDPSYVDVTYDFIIKRKPLFYTINLIIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTFFLLLISKIVPPTSLDIPLIGKYLLFTMVLVTFSIVTTVCVLNVHHRSPSTHTMASWVKECFLHKLPTFLFMKRPGLEVSPARVPHSSQLHLTTAEATSTSALGPSSPSNLYGNSMYFVNPVPATPKSAVSSHTAGLPRDARLRSSGRFRQDLQEALEGVSFIAQHLESDDRDQSVIEDWKFVAMVVDRLFLWVFVIVCILGTMGLFLPPLFQIHAPSKGL
  
Component 2
Name:
Neuronal acetylcholine receptor subunit beta-2
Synonyms:
ACHB2_MOUSE | Chrnb2
Type:
PROTEIN
Mol. Mass.:
57114.19
Organism:
Mus musculus
Description:
ChEMBL_108396
Residue:
501
Sequence:
MARCSNSMALLFSFGLLWLCSGVLGTDTEERLVEHLLDPSRYNKLIRPATNGSELVTVQLMVSLAQLISVHEREQIMTTNVWLTQEWEDYRLTWKPEDFDNMKKVRLPSKHIWLPDVVLYNNADGMYEVSFYSNAVVSYDGSIFWLPPAIYKSACKIEVKHFPFDQQNCTMKFRSWTYDRTEIDLVLKSDVASLDDFTPSGEWDIIALPGRRNENPDDSTYVDITYDFIIRRKPLFYTINLIIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSLDVPLVGKYLMFTMVLVTFSIVTSVCVLNVHHRSPTTHTMAPWVKVVFLEKLPTLLFLQQPRHRCARQRLRLRRRQREREGAGTLFFREGPAADPCTCFVNPASMQGLAGAFQAEPAAAGLGRSMGPCSCGLREAVDGVRFIADHMRSEDDDQSVREDWKYVAMVIDRLFLWIFVFVCVFGTIGMFLQPLFQNYTATTFLHSDHSAPSSK
  
Inhibitor
Name:
BDBM50270377
Synonyms:
CHEMBL4081330
Type:
Small organic molecule
Emp. Form.:
C15H22INO2
Mol. Mass.:
375.2452
SMILES:
[I-].[H][C@@]12CCC[N+]1(C)CCc1cc(OC)c(OC)cc21 |r|
Structure:
Search PDB for entries with ligand similarity: