Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50130150
Substrate
n/a
Meas. Tech.
ChEBML_27673
IC50
580000±n/a nM
Citation
 Herlem, D; Martin, MT; Thal, C; Guillou, C Synthesis and structure-activity relationships of open D-Ring galanthamine analogues. Bioorg Med Chem Lett 13:2389-91 (2003) [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:
BDBM50130150
Synonyms:
CHEMBL80382 | [2-((5aS,7R,9aS)-7-Hydroxy-1-hydroxymethyl-4-methoxy-6,7-dihydro-5aH-dibenzofuran-9a-yl)-ethyl]-methyl-carbamic acid ethyl ester
Type:
Small organic molecule
Emp. Form.:
C20H27NO6
Mol. Mass.:
377.4315
SMILES:
CCOC(=O)N(C)CC[C@@]12C=C[C@H](O)C[C@@H]1Oc1c2c(CO)ccc1OC |c:10|
Structure:
Search PDB for entries with ligand similarity: