Ki Summary

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Target

Acetylcholinesterase

Ligand

BDBM50199522

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_606473 (CHEMBL1065424)

IC50

11.4±n/a nM

Citation

Yan, J; Sun, L; Wu, G; Yi, P; Yang, F; Zhou, L; Zhang, X; Li, Z; Yang, X; Luo, H; Qiu, M Rational design and synthesis of highly potent anti-acetylcholinesterase activity huperzine A derivatives. Bioorg Med Chem17:6937-41 (2009) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Acetylcholinesterase

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

BDBM50199522

n/a

Name

BDBM50199522

Synonyms:

(+)-huperzine A | (+-)-HA | (-)-1-Amino-13-ethylidene-11-methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one(Huperzine A) | (-)-huperazine A | (-)-huperzine A | (-)1-Amino-13-ethylidene-11-methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one( (-)-Huperzine A) | (1R,9R)-1-Amino-13-eth-(E)-ylidene-11-methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one | (R)-1-Amino-13-eth-(E)-ylidene-11-methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one | (R)-1-Amino-13-ethylidene-11-methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one | (huperazine A)(-)-1-Amino-13-ethylidene-11-methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one | 1-Amino-13-eth-(E)-ylidene-11-methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one | 1-Amino-13-eth-(Z)-ylidene-11-methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one | 1-Amino-13-ethylidene-11-methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one | 1-Amino-13-ethylidene-11-methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one((+/-)-Huperzine A) | 1-Amino-13-ethylidene-11-methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one((-)-Huperzine A) | 1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0~2,7~]trideca-2(7),3,10-trien-5-one | CHEMBL395280 | HUPERAINE A | Hyperazzine A

Type

Small organic molecule

Emp. Form.

C15H18N2O

Mol. Mass.

242.3162

SMILES

C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@@]1(N)CC(C)=C2 |r,c:18,THB:1:2:14.15.17:5.11.4|

Structure