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Target
Acetylcholinesterase
Ligand
BDBM50089503
Substrate
n/a
Meas. Tech.
ChEBML_28133
Ki
2500±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:
BDBM50089503
Synonyms:
2-[7,12,17-tri(2,5-hydroxyphenyl)-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-undecaen-2-yl]phenol | CHEMBL34272
Type:
Small organic molecule
Emp. Form.:
C44H30N4O8
Mol. Mass.:
742.731
SMILES:
Oc1ccc(O)c(c1)-c1c2ccc(n2)c(-c2cc(O)ccc2O)c2ccc([nH]2)c(-c2cc(O)ccc2O)c2ccc([nH]2)c(-c2cc(O)ccc2O)c2ccc1n2 |(17.29,-25.65,;18.65,-24.91,;19.95,-25.72,;21.31,-24.98,;21.35,-23.43,;22.71,-22.71,;20.04,-22.64,;18.69,-23.36,;20.09,-21.1,;18.76,-20.28,;17.34,-20.88,;16.34,-19.7,;17.15,-18.39,;18.65,-18.76,;16.38,-17.06,;14.84,-17.08,;14.05,-15.75,;12.53,-15.75,;11.74,-14.42,;11.74,-17.08,;12.51,-18.41,;14.07,-18.41,;14.84,-19.74,;17.13,-15.73,;16.38,-14.39,;17.4,-13.25,;18.81,-13.86,;18.65,-15.4,;20.14,-13.09,;20.14,-11.56,;18.81,-10.79,;18.81,-9.25,;17.48,-8.48,;20.14,-8.48,;21.47,-9.25,;21.47,-10.79,;22.81,-11.56,;21.47,-13.86,;22.81,-13.09,;23.92,-14.38,;23.15,-15.72,;21.63,-15.4,;23.99,-17.25,;25.53,-17.33,;26.23,-18.69,;27.77,-18.76,;28.48,-20.14,;28.61,-17.47,;27.9,-16.1,;26.36,-16.03,;25.66,-14.66,;23.15,-18.55,;23.89,-19.9,;22.82,-21.02,;21.44,-20.35,;21.63,-18.83,)|
Structure:
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