Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50211241
Substrate
n/a
Meas. Tech.
ChEMBL_455571 (CHEMBL886351)
IC50
2.47±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:
BDBM50211241
Synonyms:
9-[3-Pyrrolidinopropionamido]-1-azabenzanthrone | CHEMBL246911 | N-(7-oxo-7H-1-aza-benzo[de]anthracen-9-yl)-3-pyrrolidin-1-yl-propionamide
Type:
Small organic molecule
Emp. Form.:
C23H21N3O2
Mol. Mass.:
371.4317
SMILES:
O=C(CCN1CCCC1)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Structure:
Search PDB for entries with ligand similarity: