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TargetAcetylcholinesterase
LigandBDBM8960
Substrate/Competitorn/a
Meas. Tech.AChE and BChE Inhibition Assay
pH8±n/a
Temperature298.15±n/a K
IC50 32± 3 nM
Commentsextracted
Citation Hameed, AZehra, STShah, SJKhan, KMAlharthy, RDFurtmann, NBajorath, JTahir, MNIqbal, J Syntheses, cholinesterases inhibition, and molecular docking studies of pyrido[2,3-b]pyrazine derivatives. Chem Biol Drug Des86:1115-20 (2015) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Acetylcholinesterase
Name:Acetylcholinesterase
Synonyms:Acetylcholinesterase (AChE) | Acetylcholinesterase (EeAChE)
Type:Enzyme
Mol. Mass.:71812.79
Organism:Electrophorus electricus (Electric eel)
Description:n/a
Residue:633
Sequence:
MKILDALLFPVIFIMFFIHLSIAQTDPELTIMTRLGQVQGTRLPVPDRSHVIAFLGIPFA
EPPLGKMRFKPPEPKKPWNDVFDARDYPSACYQYVDTSYPGFSGTEMWNPNRMMSEDCLY
LNVWVPATPRPHNLTVMVWIYGGGFYSGSSSLDVYDGRYLAHSEKVVVVSMNYRVSAFGF
LALNGSAEAPGNVGLLDQRLALQWVQDNIHFFGGNPKQVTIFGESAGAASVGMHLLSPDS
RPKFTRAILQSGVPNGPWRTVSFDEARRRAIKLGRLVGCPDGNDTDLIDCLRSKQPQDLI
DQEWLVLPFSGLFRFSFVPVIDGVVFPDTPEAMLNSGNFKDTQILLGVNQNEGSYFLIYG
APGFSKDNESLITREDFLQGVKMSVPHANEIGLEAVILQYTDWMDEDNPIKNREAMDDIV
GDHNVVCPLQHFAKMYAQYSILQGQTGTASQGNLGWGNSGSASNSGNSQVSVYLYMFDHR
ASNLVWPEWMGVIHGYEIEFVFGLPLEKRLNYTLEEEKLSRRMMKYWANFARTGNPNINV
DGSIDSRRRWPVFTSTEQKHVGLNTDSLKVHKGLKSQFCALWNRFLPRLLNVTENIDDAE
RQWKAEFHRWSSYMMHWKNQFDHYSKQERCTNL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM8960
NameBDBM8960
Synonyms:(+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-indan-1-one | 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one | Aricept | Aricept odt | CHEMBL1678 | CHEMBL2337271 | CHEMBL502 | DONEPEZIL HYDROCHLORIDE | Donepezil | Donepzil | E2020 | US8999994, Donepezil | US9346818, DPH | US9586925, Donepezil | US9663465, Donepezil
TypeSmall organic molecule
Emp. Form.C24H29NO3
Mol. Mass.379.492
SMILESCOc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a