Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM30707
Substrate
n/a
Meas. Tech.
ChEMBL_1295494 (CHEMBL3131492)
IC50
14000±n/a nM
Citation
Queiroz, MM; Queiroz, EF; Zeraik, ML; Ebrahimi, SN; Marcourt, L; Cuendet, M; Castro-Gamboa, I; Hamburger, M; da Silva Bolzani, V; Wolfender, JL Chemical composition of the bark of Tetrapterys mucronata and identification of acetylcholinesterase inhibitory constituents. J Nat Prod 77:650-6 (2014) [PubMed] Article
More Info.:
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:
BDBM30707
Synonyms:
2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamine | 2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine | 2-(5-methoxy-1H-indol-3-yl)ethyl-dimethyl-amine | 3-(2-DIMETHYLAMINOETHYL)-5-METHOXYINDOLE | CHEMBL7257 | MLS000069438 | Methoxydimethyltryptamines | SMR000059066 | WO2023019367, Compound 5-MeO-DMT | cid_1832
Type:
Small organic molecule
Emp. Form.:
C13H18N2O
Mol. Mass.:
218.2948
SMILES:
COc1ccc2[nH]cc(CCN(C)C)c2c1