Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50211250
Substrate
n/a
Meas. Tech.
ChEMBL_455571 (CHEMBL886351)
IC50
2.51±n/a nM
Citation
 Tang, H; Ning, FX; Wei, YB; Huang, SL; Huang, ZS; Chan, AS; Gu, LQ Derivatives of oxoisoaporphine alkaloids: a novel class of selective acetylcholinesterase inhibitors. Bioorg Med Chem Lett 17:3765-8 (2007) [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:
BDBM50211250
Synonyms:
1-methyl-1-[3-(7-oxo-7H-1-aza-benzo[de]anthracen-9-ylcarbamoyl)-propyl]-pyrrolidinium | CHEMBL396158
Type:
Small organic molecule
Emp. Form.:
C25H26N3O2
Mol. Mass.:
400.4923
SMILES:
C[N+]1(CCCC(=O)Nc2ccc-3c(c2)C(=O)c2cccc4ccnc-3c24)CCCC1
Structure:
Search PDB for entries with ligand similarity: