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TargetAcetylcholinesterase
LigandBDBM10619
Substrate/Competitorn/a
Meas. Tech.ChEMBL_305786 (CHEMBL874440)
IC50 3860±n/a nM
Citation Luo, WYu, QSZhan, MParrish, DDeschamps, JRKulkarni, SSHolloway, HWAlley, GMLahiri, DKBrossi, AGreig, NH Novel anticholinesterases based on the molecular skeletons of furobenzofuran and methanobenzodioxepine. J Med Chem48:986-94 (2005) [PubMed]  Article
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:
BDBM10619
n/a
NameBDBM10619
Synonyms:(4-Isopropyl-phenyl)-carbamic acid (S)-3a,8-dimethyl-3,3a,8,8a-tetrahydro-2H-furo[2,3-b]indol-5-yl ester | CHEMBL178132 | Physovenine Carbamate 23a
TypeSmall organic molecule
Emp. Form.C22H26N2O3
Mol. Mass.366.4534
SMILESCC(C)c1ccc(NC(=O)Oc2ccc3N(C)C4OCC[C@@]4(C)c3c2)cc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: