Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAcetylcholinesterase
LigandBDBM50038733
Substrate/Competitorn/a
Meas. Tech.ChEMBL_28303 (CHEMBL645002)
IC50 20±n/a nM
Citation Chen, YLListon, DNielsen, JChapin, DDunaiskis, AHedberg, KIves, JJohnson, JJones, S Syntheses and anticholinesterase activity of tetrahydrobenzazepine carbamates. J Med Chem37:1996-2000 (1994) [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:
BDBM50038733
n/a
NameBDBM50038733
Synonyms:(3aS,8aR)-1-ethyl-3a-methyl-1,2,3,3a,8,8a-hexahydroindeno[2,1-b]pyrrol-5-yl hexylcarbamate | CHEMBL413765 | Hexyl-carbamic acid (3aS,8aR)-1-ethyl-3a-methyl-1,2,3,3a,8,8a-hexahydro-indeno[2,1-b]pyrrol-5-yl ester
TypeSmall organic molecule
Emp. Form.C21H32N2O2
Mol. Mass.344.491
SMILESCCCCCCNC(=O)Oc1ccc2C[C@H]3N(CC)CC[C@@]3(C)c2c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: