Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50089502
Substrate
n/a
Meas. Tech.
ChEBML_28133
Ki
7290±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:
BDBM50089502
Synonyms:
(1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,3,5,6-tetrafluoro-pyridin-4-yl)-porphyrin | CHEMBL286233
Type:
Small organic molecule
Emp. Form.:
C40H10F16N8
Mol. Mass.:
906.5355
SMILES:
Fc1nc(F)c(F)c(c1F)-c1c2ccc(n2)c(-c2c(F)c(F)nc(F)c2F)c2ccc([nH]2)c(-c2c(F)c(F)nc(F)c2F)c2ccc([nH]2)c(-c2c(F)c(F)nc(F)c2F)c2ccc1n2 |(4.77,-16.03,;6.12,-15.28,;7.42,-16.09,;8.78,-15.35,;10.1,-16.16,;8.82,-13.81,;10.18,-13.08,;7.51,-13.01,;6.16,-13.74,;4.84,-12.94,;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,;15.95,-10.52,;16.08,-7.84,;15.37,-6.49,;16.19,-5.2,;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,;4.95,1.13,;7.61,1.14,;8.94,.37,;10.27,1.16,;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,;1.54,-8.8,;2.31,-10.13,;-.02,-8.8,;-.79,-10.13,;-.79,-7.46,;,-6.12,;-.79,-4.79,;1.52,-6.12,;2.29,-4.79,;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: