Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50070476
Substrate
n/a
Meas. Tech.
ChEBML_28133
Ki
5±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:
BDBM50070476
Synonyms:
(1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,6-difluoro-phenyl)-porphyrin | CHEMBL284754
Type:
Small organic molecule
Emp. Form.:
C44H22F8N4
Mol. Mass.:
758.6595
SMILES:
Fc1cccc(F)c1-c1c2ccc(n2)c(-c2c(F)cccc2F)c2ccc([nH]2)c(-c2c(F)cccc2F)c2ccc([nH]2)c(-c2c(F)cccc2F)c2ccc1n2 |(4.84,-12.94,;6.16,-13.74,;6.12,-15.28,;7.42,-16.09,;8.78,-15.35,;8.82,-13.81,;10.18,-13.08,;7.51,-13.01,;7.56,-11.47,;8.91,-10.74,;10.29,-11.39,;11.36,-10.27,;10.62,-8.92,;9.1,-9.2,;11.46,-7.63,;13,-7.7,;13.7,-9.08,;12.86,-10.38,;15.24,-9.15,;16.08,-7.84,;15.37,-6.49,;13.83,-6.41,;13.13,-5.05,;10.62,-6.1,;11.39,-4.77,;10.36,-3.62,;8.94,-4.25,;9.1,-5.78,;7.61,-3.48,;7.61,-1.94,;6.28,-1.17,;4.94,-1.94,;6.28,.37,;7.61,1.14,;8.94,.37,;8.94,-1.17,;10.29,-1.94,;6.28,-4.25,;4.87,-3.62,;3.85,-4.77,;4.6,-6.11,;6.12,-5.79,;3.85,-7.45,;2.31,-7.45,;1.52,-6.12,;2.29,-4.79,;,-6.12,;-.79,-7.46,;-.02,-8.8,;1.54,-8.8,;2.31,-10.13,;4.62,-8.78,;3.81,-10.08,;4.81,-11.25,;6.24,-10.67,;6.12,-9.13,)|
Structure:
Search PDB for entries with ligand similarity: