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Target
Acetylcholinesterase
Ligand
BDBM50135654
Substrate
n/a
Meas. Tech.
ChEBML_27674
Ki
130±n/a nM
Citation
 Lin, G; Tsai, HJ; Tsai, YH Cage amines as the stopper inhibitors of cholinesterases. Bioorg Med Chem Lett 13:2887-90 (2003) [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:
BDBM50135654
Synonyms:
2,4,6,8,10,12-hexa(3,5-dimethoxyphenylmethyl)-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.05,9.03,11]dodecane | CHEMBL413939
Type:
Small organic molecule
Emp. Form.:
C61H74N6O12
Mol. Mass.:
1083.2733
SMILES:
COc1cc(CNC2C3N(Cc4cc(OC)cc(OC)c4)C4C(N(Cc5cc(OC)cc(OC)c5)C5(CC5N3Cc3cc(OC)cc(OC)c3)N4Cc3cc(OC)cc(OC)c3)N2Cc2cc(OC)cc(OC)c2)cc(OC)c1 |TLB:39:38:9:62.22.7,63:62:9:35.50.37.38,36:35:9:62.22.7,51:50:9:62.22.7,THB:23:35:9:62.22.7,23:22:9:35.50.37.38,36:37:9:62.22.7,6:7:9:35.50.37.38,51:50:23.22:37.9.8.38|
Structure:
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