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Target
Neuronal acetylcholine receptor subunit alpha-2/beta-2
Ligand
BDBM50170586
Substrate
n/a
Meas. Tech.
ChEMBL_306274 (CHEMBL827551)
IC50
0.75±n/a nM
Citation
 Jensen, AA; Frølund, B; Liljefors, T; Krogsgaard-Larsen, P Neuronal nicotinic acetylcholine receptors: structural revelations, target identifications, and therapeutic inspirations. J Med Chem 48:4705-45 (2005) [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:
BDBM50170586
Synonyms:
(3S)-3-{[(2S)-1-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2R)-2-{[(2S)-1-{[(2S)-1-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-phenylpropanamido]propanamido]-3-hydroxybutanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-{[(2R)-1-oxo-3-sulfanylpropan-2-yl]carbamoyl}propanoic acid | CHEMBL429557
Type:
Small organic molecule
Emp. Form.:
C65H92N16O21S4
Mol. Mass.:
1561.781
SMILES:
C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CS)C=O
Structure:
Search PDB for entries with ligand similarity: