Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM92962 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1360668 (CHEMBL3282826) |
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pH | 8.25±n/a |
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Ki | 58400000±n/a nM |
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Comments | extracted |
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Citation | Alspach, JD; Ingraham, LL Inhibition of acetylcholinesterase by thiamine. A structure-function study. J Med Chem20:161-4 (1977) [PubMed] |
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More Info.: | Get all data from this article, 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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BDBM92962 |
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n/a |
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Name | BDBM92962 |
Synonyms: | ThDP |
Type | Small molecule |
Emp. Form. | C12H19N4O7P2S |
Mol. Mass. | 425.314 |
SMILES | Cc1c(CCOP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N |
Structure |
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