Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM50298425 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_587674 (CHEMBL1049244) |
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IC50 | 312±n/a nM |
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Citation | Girisha, HR; Narendra Sharath Chandra, JN; Boppana, S; Malviya, M; Sadashiva, CT; Rangappa, KS Active site directed docking studies: synthesis and pharmacological evaluation of cis-2,6-dimethyl piperidine sulfonamides as inhibitors of acetylcholinesterase. Eur J Med Chem44:4057-62 (2009) [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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BDBM50298425 |
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n/a |
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Name | BDBM50298425 |
Synonyms: | (2R,6S)-1-(4-chlorophenylsulfonyl)-2,6-dimethylpiperidine | 1-(4-chloro benzene)-sulfonyl-cis-2,6-dimethylpiperidine | CHEMBL573102 | rac-(cis)-1-(4-chlorophenylsulfonyl)-2,6-dimethylpiperidine |
Type | Small organic molecule |
Emp. Form. | C13H18ClNO2S |
Mol. Mass. | 287.806 |
SMILES | C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(Cl)cc1 |r| |
Structure |
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