Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM50430767 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_943016 (CHEMBL2343852) |
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IC50 | 95040±n/a nM |
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Citation | Imramovský, A; Pejchal, V; Štepánková, ?; Vorcáková, K; Jampílek, J; Vanco, J; Šimunek, P; Královec, K; Brucková, L; Mandíková, J; Trejtnar, F Synthesis and in vitro evaluation of new derivatives of 2-substituted-6-fluorobenzo[d]thiazoles as cholinesterase inhibitors. Bioorg Med Chem21:1735-48 (2013) [PubMed] Article |
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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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BDBM50430767 |
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n/a |
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Name | BDBM50430767 |
Synonyms: | CHEMBL2334743 |
Type | Small organic molecule |
Emp. Form. | C18H24FN3O3S |
Mol. Mass. | 381.465 |
SMILES | CC(C)OC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| |
Structure |
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