Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM13549 |
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Substrate/Competitor | BDBM8959 |
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Meas. Tech. | Cholinesterase Inhibition Assay |
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IC50 | 54.7±n/a nM |
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Citation | Elsinghorst, PW; Tanarro, CM; Gutschow, M Novel heterobivalent tacrine derivatives as cholinesterase inhibitors with notable selectivity toward butyrylcholinesterase. J Med Chem49:7540-4 (2006) [PubMed] Article |
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More Info.: | Get all data from this article, Solution Info, Assay Method |
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Acetylcholinesterase |
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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: | MKILDALLFPVIFIMFFIHLSIAQTDPELTIMTRLGQVQGTRLPVPDRSHVIAFLGIPFA
EPPLGKMRFKPPEPKKPWNDVFDARDYPSACYQYVDTSYPGFSGTEMWNPNRMMSEDCLY
LNVWVPATPRPHNLTVMVWIYGGGFYSGSSSLDVYDGRYLAHSEKVVVVSMNYRVSAFGF
LALNGSAEAPGNVGLLDQRLALQWVQDNIHFFGGNPKQVTIFGESAGAASVGMHLLSPDS
RPKFTRAILQSGVPNGPWRTVSFDEARRRAIKLGRLVGCPDGNDTDLIDCLRSKQPQDLI
DQEWLVLPFSGLFRFSFVPVIDGVVFPDTPEAMLNSGNFKDTQILLGVNQNEGSYFLIYG
APGFSKDNESLITREDFLQGVKMSVPHANEIGLEAVILQYTDWMDEDNPIKNREAMDDIV
GDHNVVCPLQHFAKMYAQYSILQGQTGTASQGNLGWGNSGSASNSGNSQVSVYLYMFDHR
ASNLVWPEWMGVIHGYEIEFVFGLPLEKRLNYTLEEEKLSRRMMKYWANFARTGNPNINV
DGSIDSRRRWPVFTSTEQKHVGLNTDSLKVHKGLKSQFCALWNRFLPRLLNVTENIDDAE
RQWKAEFHRWSSYMMHWKNQFDHYSKQERCTNL
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BDBM13549 |
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BDBM8959 |
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Name | BDBM13549 |
Synonyms: | 3-(3,4,5-Trimethoxyphenyl)-N-(5-oxo-5-(2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazino)-pentyl)propanamide | N-[4-(N'-1,2,3,4-tetrahydroacridin-9-ylhydrazinecarbonyl)butyl]-3-(3,4,5-trimethoxyphenyl)propanamide | tacrine derivative 16e |
Type | Small organic molecule |
Emp. Form. | C30H38N4O5 |
Mol. Mass. | 534.6465 |
SMILES | COc1cc(CCC(=O)NCCCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC |
Structure |
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