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Target
Acetylcholinesterase
Ligand
BDBM50029799
Substrate
n/a
Meas. Tech.
ChEMBL_813752 (CHEMBL2020010)
IC50
4900±n/a nM
Citation
 Khorana, N; Changwichit, K; Ingkaninan, K; Utsintong, M Prospective acetylcholinesterase inhibitory activity of indole and its analogs. Bioorg Med Chem Lett 22:2885-8 (2012) [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:
BDBM50029799
Synonyms:
7-Methoxy-1-methyl-2,9-dihydro-1H-beta-carboline | 7-Methoxy-1-methyl-4,9-dihydro-3H-beta-carboline | 7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole | CHEMBL2089157 | CHEMBL340807 | HARMALINE
Type:
Small organic molecule
Emp. Form.:
C13H14N2O
Mol. Mass.:
214.2631
SMILES:
COc1ccc2c3CCN=C(C)c3[nH]c2c1 |t:9|
Structure:
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