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Target
Acetylcholinesterase
Ligand
BDBM50005766
Substrate
n/a
Meas. Tech.
ChEBML_28304
IC50
12487±n/a nM
Citation
 Chen, YL; Nielsen, J; Hedberg, K; Dunaiskis, A; Jones, S; Russo, L; Johnson, J; Ives, J; Liston, D Syntheses, resolution, and structure-activity relationships of potent acetylcholinesterase inhibitors: 8-carbaphysostigmine analogues. J Med Chem 35:1429-34 (1992) [PubMed]  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:
BDBM50005766
Synonyms:
(+/-)-tert-Butyl-carbamic acid 1-ethyl-3a-methyl-1,2,3,3a,8,8a-hexahydro-1-aza-cyclopenta[a]inden-5-yl ester | CHEMBL34002
Type:
Small organic molecule
Emp. Form.:
C19H28N2O2
Mol. Mass.:
316.4378
SMILES:
CCN1CC[C@]2(C)C1Cc1ccc(OC(=O)NC(C)(C)C)cc21
Structure:
Search PDB for entries with ligand similarity: