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Target
Neuronal acetylcholine receptor subunit alpha-2/beta-2
Ligand
BDBM50581246
Substrate
n/a
Meas. Tech.
ChEMBL_2150171 (CHEMBL5034633)
IC50
>10000±n/a nM
Citation
 Zheng, N; Christensen, SB; Dowell, C; Purushottam, L; Skalicky, JJ; McIntosh, JM; Chou, DH Discovery of Methylene Thioacetal-Incorporated ?-RgIA Analogues as Potent and Stable Antagonists of the Human ?9?10 Nicotinic Acetylcholine Receptor for the Treatment of Neuropathic Pain. J Med Chem 64:9513-9524 (2021) [PubMed]  Article 
Target
Name:
Neuronal acetylcholine receptor subunit alpha-2/beta-2
Synonyms:
Neuronal acetylcholine receptor Alpha-2/Beta-2 | Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit | Neuronal acetylcholine receptor; alpha2/beta2 | Neuronal acetylcholine recetpor; alpha2/beta2
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Neuronal acetylcholine receptor subunit alpha-2
Synonyms:
ACHA2_HUMAN | CHRNA2 | Neuronal acetylcholine receptor; alpha2/beta2
Type:
Enzyme Catalytic Domain
Mol. Mass.:
59759.69
Organism:
Homo sapiens (Human)
Description:
Cholinergic, Nicotinic Alpha2Beta2 0 HUMAN::Q15822
Residue:
529
Sequence:
MGPSCPVFLSFTKLSLWWLLLTPAGGEEAKRPPPRAPGDPLSSPSPTALPQGGSHTETEDRLFKHLFRGYNRWARPVPNTSDVVIVRFGLSIAQLIDVDEKNQMMTTNVWLKQEWSDYKLRWNPTDFGNITSLRVPSEMIWIPDIVLYNNADGEFAVTHMTKAHLFSTGTVHWVPPAIYKSSCSIDVTFFPFDQQNCKMKFGSWTYDKAKIDLEQMEQTVDLKDYWESGEWAIVNATGTYNSKKYDCCAEIYPDVTYAFVIRRLPLFYTINLIIPCLLISCLTVLVFYLPSDCGEKITLCISVLLSLTVFLLLITEIIPSTSLVIPLIGEYLLFTMIFVTLSIVITVFVLNVHHRSPSTHTMPHWVRGALLGCVPRWLLMNRPPPPVELCHPLRLKLSPSYHWLESNVDAEEREVVVEEEDRWACAGHVAPSVGTLCSHGHLHSGASGPKAEALLQEGELLLSPHMQKALEGVHYIADHLRSEDADSSVKEDWKYVAMVIDRIFLWLFIIVCFLGTIGLFLPPFLAGMI
  
Component 2
Name:
Neuronal acetylcholine receptor subunit beta-2
Synonyms:
ACHB2_HUMAN | CHRNB2 | Neuronal acetylcholine receptor protein beta-2 subunit | Nicotinic acetylcholine receptor alpha3/beta2/alpha5
Type:
Protein
Mol. Mass.:
57020.50
Organism:
Homo sapiens (Human)
Description:
P17787
Residue:
502
Sequence:
MARRCGPVALLLGFGLLRLCSGVWGTDTEERLVEHLLDPSRYNKLIRPATNGSELVTVQLMVSLAQLISVHEREQIMTTNVWLTQEWEDYRLTWKPEEFDNMKKVRLPSKHIWLPDVVLYNNADGMYEVSFYSNAVVSYDGSIFWLPPAIYKSACKIEVKHFPFDQQNCTMKFRSWTYDRTEIDLVLKSEVASLDDFTPSGEWDIVALPGRRNENPDDSTYVDITYDFIIRRKPLFYTINLIIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSLDVPLVGKYLMFTMVLVTFSIVTSVCVLNVHHRSPTTHTMAPWVKVVFLEKLPALLFMQQPRHHCARQRLRLRRRQREREGAGALFFREAPGADSCTCFVNRASVQGLAGAFGAEPAPVAGPGRSGEPCGCGLREAVDGVRFIADHMRSEDDDQSVSEDWKYVAMVIDRLFLWIFVFVCVFGTIGMFLQPLFQNYTTTTFLHSDHSAPSSK
  
Inhibitor
Name:
BDBM50581246
Synonyms:
CHEMBL5080428
Type:
Small organic molecule
Emp. Form.:
C62H88IN19O21S4
Mol. Mass.:
1690.641
SMILES:
C[C@@H](O)[C@@H]1NC(=O)[C@@H]2NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CSCS2)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)CN |r|
Structure:
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