Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAcetylcholinesterase
LigandBDBM50523387
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1890180 (CHEMBL4391934)
Kd 4820±n/a nM
Citation Chalupova, KKorabecny, JBartolini, MMonti, BLamba, DCaliandro, RPesaresi, ABrazzolotto, XGastellier, AJNachon, FPejchal, JJarosova, MHepnarova, VJun, DHrabinova, MDolezal, RZdarova Karasova, JMzik, MKristofikova, ZMisik, JMuckova, LJost, PSoukup, OBenkova, MSetnicka, VHabartova, LChvojkova, MKleteckova, LVales, KMezeiova, EUliassi, EValis, MNepovimova, EBolognesi, MLKuca, K Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease. Eur J Med Chem168:491-514 (2019) [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:
BDBM50523387
n/a
NameBDBM50523387
Synonyms:CHEMBL4556281
TypeSmall organic molecule
Emp. Form.C30H38Cl3N5O
Mol. Mass.591.015
SMILESCl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: