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Target
Acetylcholinesterase
Ligand
BDBM50523387
Substrate
n/a
Meas. Tech.
ChEMBL_1890180 (CHEMBL4391934)
Kd
4820±n/a nM
Citation
 Chalupova, K; Korabecny, J; Bartolini, M; Monti, B; Lamba, D; Caliandro, R; Pesaresi, A; Brazzolotto, X; Gastellier, AJ; Nachon, F; Pejchal, J; Jarosova, M; Hepnarova, V; Jun, D; Hrabinova, M; Dolezal, R; Zdarova Karasova, J; Mzik, M; Kristofikova, Z; Misik, J; Muckova, L; Jost, P; Soukup, O; Benkova, M; Setnicka, V; Habartova, L; Chvojkova, M; Kleteckova, L; Vales, K; Mezeiova, E; Uliassi, E; Valis, M; Nepovimova, E; Bolognesi, ML; Kuca, K Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease. Eur J Med Chem 168:491-514 (2019) [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:
BDBM50523387
Synonyms:
CHEMBL4556281
Type:
Small organic molecule
Emp. Form.:
C30H38Cl3N5O
Mol. Mass.:
591.015
SMILES:
Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |r|
Structure:
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