Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50254287
Substrate
n/a
Meas. Tech.
ChEBML_1686258
IC50
1830000±n/a nM
Citation
 Yoder, RJ; Zhuang, Q; Beck, JM; Franjesevic, A; Blanton, TG; Sillart, S; Secor, T; Guerra, L; Brown, JD; Reid, C; McElroy, CA; Do?an Ekici, Ö; Callam, CS; Hadad, CM Study of ACS Med Chem Lett 8:622-627 (2017) [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:
BDBM50254287
Synonyms:
CHEMBL4094588
Type:
Small organic molecule
Emp. Form.:
C12H18ClNO3
Mol. Mass.:
259.729
SMILES:
Cl.COc1cc(CN2CCOCC2)ccc1O
Structure:
Search PDB for entries with ligand similarity: