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Target
Acetylcholinesterase
Ligand
BDBM50608068
Substrate
n/a
Meas. Tech.
ChEMBL_2272465
IC50
1.1±n/a nM
Citation
 Wang, J; Gong, F; Liang, T; Xie, Z; Yang, Y; Cao, C; Gao, J; Lu, T; Chen, X A review of synthetic bioactive tetrahydro-?-carbolines: A medicinal chemistry perspective. Eur J Med Chem 225:0 (2021) [PubMed]
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:
BDBM50608068
Synonyms:
CHEMBL5275164
Type:
Small organic molecule
Emp. Form.:
C34H32N4O3
Mol. Mass.:
544.6429
SMILES:
O=C(CCCCN1CCc2c(C1)[nH]c1ccccc21)Oc1ccc(\C=C2\CCc3nc4ccccc4c(=O)n23)cc1
Structure:
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