Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50433926
Substrate
n/a
Meas. Tech.
ChEMBL_959843 (CHEMBL2383507)
IC50
1345±n/a nM
Citation
 Chen, Y; Sun, J; Huang, Z; Liao, H; Peng, S; Lehmann, J; Zhang, Y NO-donating tacrine derivatives as potential butyrylcholinesterase inhibitors with vasorelaxation activity. Bioorg Med Chem Lett 23:3162-5 (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:
BDBM50433926
Synonyms:
CHEMBL2380602
Type:
Small organic molecule
Emp. Form.:
C34H37FN4O5
Mol. Mass.:
600.6798
SMILES:
CC(C(=O)NCCNc1c2CCCCc2nc2ccccc12)c1ccc(c(F)c1)-c1ccc(OCCCCO[N+]([O-])=O)cc1
Structure:
Search PDB for entries with ligand similarity: