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TargetAcetylcholinesterase
LigandBDBM50005765
Substrate/Competitorn/a
Meas. Tech.ChEMBL_28305 (CHEMBL875789)
IC50 546±n/a nM
Citation Chen, YLNielsen, JHedberg, KDunaiskis, AJones, SRusso, LJohnson, JIves, JListon, D Syntheses, resolution, and structure-activity relationships of potent acetylcholinesterase inhibitors: 8-carbaphysostigmine analogues. J Med Chem35:1429-34 (1992) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Acetylcholinesterase
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:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPV
SAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSM
NYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASV
GMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTEL
VACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVG
VVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPE
DPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGY
EIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQ
YVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQDRCSDL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50005765
n/a
NameBDBM50005765
Synonyms:(+/-)-Hexyl-carbamic acid 1-propyl-1,2,3,3a,8,8a-hexahydro-1-aza-cyclopenta[a]inden-5-yl ester | (-)Hexyl-carbamic acid 1-propyl-1,2,3,3a,8,8a-hexahydro-1-aza-cyclopenta[a]inden-5-yl ester | CHEMBL32543
TypeSmall organic molecule
Emp. Form.C21H32N2O2
Mol. Mass.344.491
SMILESCCCCCCNC(=O)Oc1ccc2CC3[C@@H](CCN3CCC)c2c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: