Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAcetylcholinesterase
LigandBDBM50199147
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1621488 (CHEMBL3863771)
IC50 150±n/a nM
Citation Gao, JMidde, NZhu, JTerry, AVMcInnes, CChapman, JM Synthesis and biological evaluation of ranitidine analogs as multiple-target-directed cognitive enhancers for the treatment of Alzheimer's disease. Bioorg Med Chem Lett26:5573-5579 (2016) [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:
BDBM50199147
n/a
NameBDBM50199147
Synonyms:CHEMBL3963904
TypeSmall organic molecule
Emp. Form.C22H21N3O5S
Mol. Mass.439.484
SMILESCN(C)Cc1ccc(CSCCN2C(=O)c3cccc4cc(cc(C2=O)c34)[N+]([O-])=O)o1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: