Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50092271
Substrate
n/a
Meas. Tech.
ChEMBL_792141 (CHEMBL1930496)
IC50
>100000±n/a nM
Citation
 Heng, S; Tieu, W; Hautmann, S; Kuan, K; Pedersen, DS; Pietsch, M; Gütschow, M; Abell, AD New cholesterol esterase inhibitors based on rhodanine and thiazolidinedione scaffolds. Bioorg Med Chem 19:7453-63 (2011) [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:
BDBM50092271
Synonyms:
(Z)-5-Benzylidene-2-thioxothiazolidin-4-one | (Z)-5-phenyl-2-thioxothiazolidin-4-one | 5-[1-Phenyl-meth-(Z)-ylidene]-2-thioxo-thiazolidin-4-one | 5-benzylidene-2-thioxothiazolidin-4-one | CHEMBL305763
Type:
Small organic molecule
Emp. Form.:
C10H7NOS2
Mol. Mass.:
221.299
SMILES:
SC1=NC(=O)C(S1)=Cc1ccccc1 |w:7.8,t:1|
Structure:
Search PDB for entries with ligand similarity: