Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM243023
Substrate
n/a
Meas. Tech.
Enzymatic Assay
pH
8±0.1
Temperature
298.15±0 K
IC50
7.12e+3± 6.4e+2 nM
Citation
 Yurttas, L; Kaplancikli, ZA; Özkay, Y Design, synthesis and evaluation of new thiazole-piperazines as acetylcholinesterase inhibitors. J Enzyme Inhib Med Chem 28:1040-7 (2013) [PubMed]  Article 
Target
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:
MKILDALLFPVIFIMFFIHLSIAQTDPELTIMTRLGQVQGTRLPVPDRSHVIAFLGIPFAEPPLGKMRFKPPEPKKPWNDVFDARDYPSACYQYVDTSYPGFSGTEMWNPNRMMSEDCLYLNVWVPATPRPHNLTVMVWIYGGGFYSGSSSLDVYDGRYLAHSEKVVVVSMNYRVSAFGFLALNGSAEAPGNVGLLDQRLALQWVQDNIHFFGGNPKQVTIFGESAGAASVGMHLLSPDSRPKFTRAILQSGVPNGPWRTVSFDEARRRAIKLGRLVGCPDGNDTDLIDCLRSKQPQDLIDQEWLVLPFSGLFRFSFVPVIDGVVFPDTPEAMLNSGNFKDTQILLGVNQNEGSYFLIYGAPGFSKDNESLITREDFLQGVKMSVPHANEIGLEAVILQYTDWMDEDNPIKNREAMDDIVGDHNVVCPLQHFAKMYAQYSILQGQTGTASQGNLGWGNSGSASNSGNSQVSVYLYMFDHRASNLVWPEWMGVIHGYEIEFVFGLPLEKRLNYTLEEEKLSRRMMKYWANFARTGNPNINVDGSIDSRRRWPVFTSTEQKHVGLNTDSLKVHKGLKSQFCALWNRFLPRLLNVTENIDDAERQWKAEFHRWSSYMMHWKNQFDHYSKQERCTNL
  
Inhibitor
Name:
BDBM243023
Synonyms:
2-(4-Methylpiperazine-1-yl)-N-[4-(2-methylthiazol-4-yl)phenyl]acetamide (5a)
Type:
Small organic molecule
Emp. Form.:
C17H22N4OS
Mol. Mass.:
330.448
SMILES:
CN1CCN(CC(=O)Nc2ccc(cc2)-c2csc(C)n2)CC1
Structure:
Search PDB for entries with ligand similarity: