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Target
Acetylcholinesterase
Ligand
BDBM50022775
Substrate
n/a
Meas. Tech.
AChE and BChE Inhibition Assay
pH
8±n/a
Temperature
298.15±n/a K
IC50
2.22e+4± 3.2e+3 nM
Comments
extracted
Citation
 Hameed, A; Zehra, ST; Shah, SJ; Khan, KM; Alharthy, RD; Furtmann, N; Bajorath, J; Tahir, MN; Iqbal, J Syntheses, cholinesterases inhibition, and molecular docking studies of pyrido[2,3-b]pyrazine derivatives. Chem Biol Drug Des 86:1115-20 (2015) [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:
BDBM50022775
Synonyms:
(m-Hydroxyphenyl)trimethylammonium dimethylcarbamate | 3-Trimethylammoniumphenyl N,N-dimethylcarbamate | 3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium | CHEMBL211471 | CHEMBL278020 | Eustigmin | Eustigmine | NEOSTIGMINE | Neostigmine (2) | Prostigmine | Vagostigmine | m-Trimethylammoniumphenyldimethylcarbamate
Type:
Small organic molecule
Emp. Form.:
C12H19N2O2
Mol. Mass.:
223.2909
SMILES:
CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C
Structure:
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