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Target
Acetylcholinesterase
Ligand
BDBM50089505
Substrate
n/a
Meas. Tech.
ChEBML_28133
Ki
3060±n/a nM
Citation
 Moon, SC; Shin, JH; Jeong, BH; Kim, HS; Yu, BS; Lee, JS; Lee, BS; Namgoong, SK Synthesis of tetrakis(multifluoro-4-pyridyl)porphin derivatives as acetylcholinesterase inhibitors. Bioorg Med Chem Lett 10:1435-8 (2000) [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:
BDBM50089505
Synonyms:
2,7,12,17-tetra(3-fluoro-1-methyl-4-pyridiniumyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene; 4-methylbenzenesulfonate | CHEMBL385638
Type:
Small organic molecule
Emp. Form.:
C44H34F4N8
Mol. Mass.:
750.7858
SMILES:
C[n+]1ccc(c(F)c1)-c1c2ccc(n2)c(-c2cc[n+](C)cc2F)c2ccc([nH]2)c(-c2cc[n+](C)cc2F)c2ccc([nH]2)c(-c2cc[n+](C)cc2F)c2ccc1n2 |(6.85,-13.43,;6.87,-11.89,;5.55,-11.09,;5.59,-9.55,;6.94,-8.82,;8.27,-9.62,;9.62,-8.89,;8.23,-11.16,;6.99,-7.29,;8.35,-6.54,;9.74,-7.21,;10.79,-6.09,;10.07,-4.75,;8.55,-5.04,;10.9,-3.46,;12.44,-3.55,;13.14,-4.9,;14.7,-4.97,;15.53,-3.69,;17.07,-3.77,;14.81,-2.33,;13.28,-2.26,;12.57,-.88,;10.07,-1.95,;10.84,-.61,;9.78,.53,;8.39,-.1,;8.55,-1.63,;7.06,.67,;7.06,2.2,;8.39,2.98,;8.39,4.5,;7.06,5.26,;7.03,6.81,;5.72,4.5,;5.72,2.98,;4.38,2.2,;5.72,-.1,;4.31,.52,;3.27,-.62,;4.05,-1.96,;5.55,-1.63,;3.27,-3.27,;1.74,-3.3,;.97,-1.97,;-.58,-1.97,;-1.36,-3.3,;-2.88,-3.3,;-.58,-4.61,;.97,-4.61,;1.74,-5.95,;4.05,-4.59,;3.25,-5.9,;4.24,-7.08,;5.69,-6.49,;5.55,-4.97,)|
Structure:
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