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Target
Acetylcholinesterase
Ligand
BDBM50279987
Substrate
n/a
Meas. Tech.
ChEMBL_1510048 (CHEMBL3606140)
IC50
170±n/a nM
Citation
 Chen, Y; Liu, ZL; Fu, TM; Li, W; Xu, XL; Sun, HP Discovery of new acetylcholinesterase inhibitors with small core structures through shape-based virtual screening. Bioorg Med Chem Lett 25:3442-6 (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:
BDBM50279987
Synonyms:
2,3,5,6,7,8-Hexahydro-1H-cyclopenta[b]quinolin-9-ylamine | CHEMBL130880 | Ipidacrine
Type:
Small organic molecule
Emp. Form.:
C12H16N2
Mol. Mass.:
188.2688
SMILES:
Nc1c2CCCc2nc2CCCCc12
Structure:
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