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TargetAcetylcholinesterase
LigandBDBM11688
Substrate/CompetitorBDBM8959
Meas. Tech.Cholinesterase Inhibition Assay
pH8±n/a
Temperature295.15±n/a K
IC50 8440±n/a nM
Citation Bartolucci, CSiotto, MGhidini, EAmari, GBolzoni, PTRacchi, MVilletti, GDelcanale, MLamba, D Structural determinants of Torpedo californica acetylcholinesterase inhibition by the novel and orally active carbamate based anti-alzheimer drug ganstigmine (CHF-2819). J Med Chem49:5051-8 (2006) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Acetylcholinesterase
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:
MNLLVTSSLGVLLHLVVLCQADDHSELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPP
VGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNI
WVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALH
GSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLF
RRAILQSGSPNCPWASVSVAEGRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEW
NVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGF
SKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHN
VICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYT
AEEEALSRRIMHYWATFAKTGNPNEPHSQESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQ
MCVFWNQFLPKLLNATACDGELSSSGTSSSKGIIFYVLFSILYLIF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM11688
BDBM8959
NameBDBM11688
Synonyms:(3aS,8aS)-1,3a,8-trimethyl-1-oxido-5-{[(2-propylphenyl)carbamoyl]oxy}-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-1-ium hydrochloride | Ganstigmine (CHF-2819) Analogue 5
TypeSmall organic molecule
Emp. Form.C23H29N3O3
Mol. Mass.395.4947
SMILES[H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4CCC)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
Structure
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