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TargetAcetylcholinesterase
LigandBDBM50326252
Substrate/Competitorn/a
Meas. Tech.ChEMBL_28897 (CHEMBL638446)
IC50 1950±n/a nM
Citation Bolognesi, MLAndrisano, VBartolini, MMinarini, ARosini, MTumiatti, VMelchiorre, C Hexahydrochromeno[4,3-b]pyrrole derivatives as acetylcholinesterase inhibitors. J Med Chem44:105-9 (2001) [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:
BDBM50326252
n/a
NameBDBM50326252
Synonyms:(3aR,9bS)-1-methyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrol-7-yl methylcarbamate | CHEMBL11833 | Methyl-carbamic acid 1-methyl-1,2,3,3a,4,9b-hexahydro-5-oxa-1-aza-cyclopenta[a]naphthalen-7-yl ester
TypeSmall organic molecule
Emp. Form.C14H18N2O3
Mol. Mass.262.3043
SMILESCNC(=O)Oc1ccc2[C@@H]3[C@@H](CCN3C)COc2c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: