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TargetAcetylcholinesterase
LigandBDBM50556130
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2054934 (CHEMBL4709935)
IC50 180±n/a nM
Citation ?a?ewska, DBajda, MKaleta, MZar?ba, PDoroz-P?onka, ASiwek, AAlachkar, AMogilski, SSaad, AKuder, KOlejarz-Maciej, AGody?, JStary, DSudo?, SWi?cek, MLatacz, GWalczak, MHandzlik, JSadek, BMalawska, BKie?-Kononowicz, K Rational design of new multitarget histamine H Eur J Med Chem207:0 (2020) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Acetylcholinesterase
Name:Acetylcholinesterase
Synonyms:ACES_ELEEL | Acetylcholinesterase (AChE) | Acetylcholinesterase (EeAChE) | ache
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:
BDBM50556130
n/a
NameBDBM50556130
Synonyms:CHEMBL4797355
TypeSmall organic molecule
Emp. Form.C24H29NO3
Mol. Mass.379.492
SMILESO=c1c2ccccc2oc2ccc(OCCCCCN3CCCCCC3)cc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: