| Reaction Details |
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 | Report a problem with these data |
| Target | Acetylcholinesterase |
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| Ligand | BDBM50019007 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1366477 (CHEMBL3296431) |
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| IC50 | >200000±n/a nM |
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| Citation |  Castro, MJ; Richmond, V; Romero, C; Maier, MS; Estévez-Braun, A; Ravelo, AG; Faraoni, MB; Murray, AP Preparation, anticholinesterase activity and molecular docking of new lupane derivatives. Bioorg Med Chem22:3341-50 (2014) [PubMed] Article |
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| More Info.: | Get all data from this article, 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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| BDBM50019007 |
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| n/a |
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| Name | BDBM50019007 |
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| Synonyms: | CHEMBL3288078 |
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| Type | Small organic molecule |
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| Emp. Form. | C30H50O3 |
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| Mol. Mass. | 458.7162 |
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| SMILES | [H][C@]1(CC[C@]2(C)[C@@H](O)C[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]34C)[C@@]12[H])[C@@]1(C)CO1 |r| |
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| Structure | 
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