| Reaction Details |
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 | Report a problem with these data |
| Target | Acetylcholinesterase |
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| Ligand | BDBM11686 |
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| Substrate/Competitor | BDBM8959 |
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| Meas. Tech. | Cholinesterase Inhibition Assay |
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| pH | 8±n/a |
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| Temperature | 295.15±n/a K |
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| IC50 | 5120±n/a nM |
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| Citation |  Bartolucci, C; Siotto, M; Ghidini, E; Amari, G; Bolzoni, PT; Racchi, M; Villetti, G; Delcanale, M; Lamba, 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 |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| Acetylcholinesterase |
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| Name: | Acetylcholinesterase |
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| Synonyms: | 3.1.1.7 | ACES_TETCF | Acetylcholinesterase (AChE) | Acetylcholinesterase precursor | ache |
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| Type: | n/a |
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| Mol. Mass.: | 65900.74 |
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| Organism: | Tetronarce californica (Pacific electric ray) (Torpedo californica) |
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| Description: | P04058 |
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| Residue: | 586 |
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| Sequence: | MNLLVTSSLGVLLHLVVLCQADDHSELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPP
VGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNI
WVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALH
GSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLF
RRAILQSGSPNCPWASVSVAEGRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEW
NVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGF
SKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHN
VICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYT
AEEEALSRRIMHYWATFAKTGNPNEPHSQESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQ
MCVFWNQFLPKLLNATACDGELSSSGTSSSKGIIFYVLFSILYLIF
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| BDBM11686 |
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| BDBM8959 |
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| Name | BDBM11686 |
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| Synonyms: | (-)-O-[(2-ethylphenyl)carbamoyl]geneseroline | (3aS,8aS)-5-({[(2-ethylphenyl)amino]carbonyl}oxy)-1-hydroxy-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-1-ium chloride | (3aS,8aS)-5-{[(2-ethylphenyl)carbamoyl]oxy}-1,3a,8-trimethyl-1-oxido-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-1-ium hydrochloride | 1S,3AS,8AS-TRIMETHYL-1-OXIDO-1,2,3,3A,8,8A- HEXAHYDROPYRROLO[2,3-B]INDOL-5-YL 2-ETHYLPHENYLCARBAMATE | Compound 3 | Ganstigmine (CHF-2819) |
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| Type | Small organic molecule |
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| Emp. Form. | C22H27N3O3 |
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| Mol. Mass. | 381.4681 |
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| SMILES | [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4CC)cc3[C@]1(C)CC[N+]2(C)[O-] |r| |
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| Structure | 
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