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Reaction Details
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TargetAcetylcholinesterase
LigandBDBM10608
Substrate/CompetitorBDBM8959
Meas. Tech.Cholinesterase Inhibition Assay
pH8±n/a
Temperature310.15±n/a K
IC50 28±2 nM
Citation Luo, WYu, QSKulkarni, SSParrish, DAHolloway, HWTweedie, DShafferman, ALahiri, DKBrossi, AGreig, NH Inhibition of human acetyl- and butyrylcholinesterase by novel carbamates of (-)- and (+)-tetrahydrofurobenzofuran and methanobenzodioxepine. J Med Chem49:2174-85 (2006) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Acetylcholinesterase
Name:Cholinesterases; ACHE & BCHE
Synonyms:AChE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE)
Type:Enzyme
Mol. Mass.:67792.70
Organism:Homo sapiens (Human)
Description:n/a
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:
BDBM10608
NameBDBM10608
Synonyms:(-)-physostigmine | (3aS)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-methylcarbamate | CHEMBL306319 | Physostigmine | Physostigmine Carbamate 15a
TypeSmall organic molecule
Emp. Form.C15H21N3O2
Mol. Mass.275.3461
SMILESCNC(=O)Oc1ccc2N(C)C3N(C)CC[C@@]3(C)c2c1 |r|
Structure
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BDBM8959
NameBDBM8959
Synonyms:(2-Mercaptoethyl)trimethylammonium iodide acetate | ATC | Acetylthiocholine | [2-(acetylsulfanyl)ethyl]trimethylazanium iodide | acetylthiocholine chloride | acetylthiocholine iodide
TypeSmall organic molecule
Emp. Form.C7H16NOS
Mol. Mass.162.272
SMILESCC(=O)SCC[N+](C)(C)C
Structure
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