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Target
Acetylcholinesterase
Ligand
BDBM19125
Substrate
BDBM8959
Meas. Tech.
In Vitro AChE Inhibition Assay
IC50
2±n/a nM
Citation
 Sauvaître, T; Barlier, M; Herlem, D; Gresh, N; Chiaroni, A; Guenard, D; Guillou, C New potent acetylcholinesterase inhibitors in the tetracyclic triterpene series. J Med Chem 50:5311-23 (2007) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
3.1.1.7 | ACES_TETCF | Acetylcholinesterase (AChE) | Acetylcholinesterase precursor | ache
Type:
n/a
Mol. Mass.:
65900.74
Organism:
Tetronarce californica (Pacific electric ray) (Torpedo californica)
Description:
P04058
Residue:
586
Sequence:
MNLLVTSSLGVLLHLVVLCQADDHSELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHGSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLFRRAILQSGSPNCPWASVSVAEGRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHNVICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYTAEEEALSRRIMHYWATFAKTGNPNEPHSQESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQMCVFWNQFLPKLLNATACDGELSSSGTSSSKGIIFYVLFSILYLIF
  
Inhibitor
Name:
BDBM19125
Synonyms:
(1R,3R,6R,7S,8R,10S,11S,14R,15R,20S)-7-[(1S)-1-(dimethylamino)ethyl]-8-hydroxy-6,10,15-trimethyl-18-(propan-2-yl)-17,19-diazahexacyclo[12.8.0.0^{1,3}.0^{3,11}.0^{6,10}.0^{15,20}]docos-18-en-4-one | pyrimidine, 26a
Type:
Terpene
Emp. Form.:
C30H49N3O2
Mol. Mass.:
483.729
SMILES:
[H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14C(=O)C[C@]1(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]21C)CC[C@@H]1N=C(NC[C@@]31C)C(C)C |r,c:32|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM8959
Synonyms:
(2-Mercaptoethyl)trimethylammonium iodide acetate | ATC | Acetylthiocholine | [2-(acetylsulfanyl)ethyl]trimethylazanium iodide | acetylthiocholine chloride | acetylthiocholine iodide
Type:
Small organic molecule
Emp. Form.:
C7H16NOS
Mol. Mass.:
162.272
SMILES:
CC(=O)SCC[N+](C)(C)C
Structure:
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