Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM10632 |
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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 | 298.15±n/a K |
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Ki | 334±29 nM |
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Citation | Dvir, H; Jiang, HL; Wong, DM; Harel, M; Chetrit, M; He, XC; Jin, GY; Yu, GL; Tang, XC; Silman, I; Bai, DL; Sussman, JL X-ray structures of Torpedo californica acetylcholinesterase complexed with (+)-huperzine A and (-)-huperzine B: structural evidence for an active site rearrangement. Biochemistry41:10810-8 (2002) [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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BDBM10632 |
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BDBM8959 |
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Name | BDBM10632 |
Synonyms: | (-)-Huperzine B | (1R,10R)-16-methyl-6,14-diazatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,16-trien-5-one |
Type | Small organic molecule |
Emp. Form. | C16H20N2O |
Mol. Mass. | 256.3428 |
SMILES | CC1=CC2Cc3[nH]c(=O)ccc3[C@]3(C1)NCCC[C@H]23 |r,t:1,TLB:17:18:4.5.11:2.1.13,THB:10:11:18:2.1.13| |
Structure |
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