| Reaction Details |
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 | Report a problem with these data |
| Target | Acetylcholinesterase |
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| Ligand | BDBM19122 |
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| Substrate/Competitor | BDBM8959 |
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| Meas. Tech. | In Vitro AChE Inhibition Assay |
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| IC50 | 485±n/a nM |
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| 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 Chem50:5311-23 (2007) [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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| BDBM19122 |
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| BDBM8959 |
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| Name | BDBM19122 |
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| Synonyms: | (3R,6R,7S,8R,10S,11R,14R,15S,20S)-8-hydroxy-6,10,15-trimethyl-7-[(1S)-1-(methylamino)ethyl]-18-(propan-2-yl)-17-oxa-19-azapentacyclo[12.8.0.0^{3,11}.0^{6,10}.0^{15,20}]docosa-1(22),18-dien-4-one | oxazine, 19 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H46N2O3 |
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| Mol. Mass. | 470.6871 |
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| SMILES | [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)NC)[C@@]1(C)CC2=O)C(C)C |r,c:7,t:3| |
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| Structure | 
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