Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM10439 |
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Substrate/Competitor | BDBM8959 |
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Meas. Tech. | Enzyme Inhibition Assay |
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pH | 7±n/a |
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Temperature | 295.15±n/a K |
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Ki | 0.8±0.1 nM |
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IC50 | 2.4±0.1 nM |
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Citation | Wong, DM; Greenblatt, HM; Dvir, H; Carlier, PR; Han, YF; Pang, YP; Silman, I; Sussman, JL Acetylcholinesterase complexed with bivalent ligands related to huperzine a: experimental evidence for species-dependent protein-ligand complementarity. J Am Chem Soc125:363-73 (2003) [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 |
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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BDBM10439 |
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BDBM8959 |
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Name | BDBM10439 |
Synonyms: | (5S)-5-[(10-{[(5S)-2-oxo-1,2,5,6,7,8-hexahydroquinolin-5-yl]amino}decyl)amino]-1,2,5,6,7,8-hexahydroquinolin-2-one | (S,S)-(-)-bis(10)-hupyridone |
Type | Small organic molecule |
Emp. Form. | C28H42N4O2 |
Mol. Mass. | 466.6587 |
SMILES | O=c1ccc2[C@H](CCCc2[nH]1)NCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc12 |r| |
Structure |
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