Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM50019010 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1366477 (CHEMBL3296431) |
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IC50 | 58800±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 |
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
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BDBM50019010 |
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n/a |
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Name | BDBM50019010 |
Synonyms: | CHEMBL3288082 |
Type | Small organic molecule |
Emp. Form. | C30H50Na2O8S2 |
Mol. Mass. | 648.823 |
SMILES | [Na+].[Na+].[H][C@]12[C@@H](CC[C@]1(C)[C@H](C[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OS([O-])(=O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)OS([O-])(=O)=O)C(C)C |r| |
Structure |
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