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Target
Acetylcholinesterase
Ligand
BDBM50503819
Substrate
n/a
Meas. Tech.
ChEMBL_1812229 (CHEMBL4311689)
IC50
500210±n/a nM
Citation
 Bacalhau, P; Fernandes, L; Rosário Martins, M; Candeias, F; Carreiro, EP; López, Ó; Teresa Caldeira, A; Totobenazara, J; Guedes, RC; Burke, AJ In silico, NMR and pharmacological evaluation of an hydroxyoxindole cholinesterase inhibitor. Bioorg Med Chem 27:354-363 (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:
BDBM50503819
Synonyms:
CHEMBL4565335
Type:
Small organic molecule
Emp. Form.:
C20H23ClN2O2
Mol. Mass.:
358.862
SMILES:
Cl.OC1(C(=O)N(CC2CCNCC2)c2ccccc12)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: