Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM50298429 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_587673 (CHEMBL1049243) |
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IC50 | 1150±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_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE) |
Type: | Enzyme |
Mol. Mass.: | 67792.70 |
Organism: | Homo sapiens (Human) |
Description: | P22303 |
Residue: | 614 |
Sequence: | MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPV
SAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSM
NYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASV
GMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTEL
VACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVG
VVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPE
DPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGY
EIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQ
YVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQDRCSDL
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BDBM50298429 |
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n/a |
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Name | BDBM50298429 |
Synonyms: | 1-(4-nitro benzene)-sulfonyl-cis-2,6-dimethylpiperidine | CHEMBL574487 |
Type | Small organic molecule |
Emp. Form. | C13H18N2O4S |
Mol. Mass. | 298.358 |
SMILES | C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O |r| |
Structure |
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