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Target
Acetylcholinesterase
Ligand
BDBM50287624
Substrate
n/a
Meas. Tech.
ChEBML_29401
IC50
2000±n/a nM
Citation
 Kaneko, S; Nakajima, N; Shikano, M; Katoh, T; Terashima, S Synthesis and acetylcholinesterase inhibitory activity of fluorinated analogues of huperzine A Bioorg Med Chem Lett 6:1927-1930 (1996)    Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE)
Type:
Enzyme
Mol. Mass.:
67792.70
Organism:
Homo sapiens (Human)
Description:
P22303
Residue:
614
Sequence:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
Inhibitor
Name:
BDBM50287624
Synonyms:
1-Amino-13-eth-(E)-ylidene-11-trifluoromethyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one | CHEMBL435373
Type:
Small organic molecule
Emp. Form.:
C15H15F3N2O
Mol. Mass.:
296.2876
SMILES:
CC1=CC2Cc3[nH]c(=O)ccc3C(N)(C1)\C2=C\C(F)(F)F |t:1,TLB:6:5:15:2.14.1,THB:10:11:15:2.14.1|
Structure:
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