Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50200770
Substrate
n/a
Meas. Tech.
ChEMBL_1622780 (CHEMBL3865132)
IC50
198±n/a nM
Citation
 DemirÖzkay, Ü; Can, ÖD; Saglik, BN; AcarÇevik, U; Levent, S; Özkay, Y; Ilgin, S; Atli, Ö Design, synthesis, and AChE inhibitory activity of new benzothiazole-piperazines. Bioorg Med Chem Lett 26:5387-5394 (2016) [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:
BDBM50200770
Synonyms:
CHEMBL3921124
Type:
Small organic molecule
Emp. Form.:
C23H25F3N4O3S
Mol. Mass.:
494.53
SMILES:
COc1cc2nc(NC(=O)CN3CCN(Cc4ccc(cc4)C(F)(F)F)CC3)sc2cc1OC
Structure:
Search PDB for entries with ligand similarity: