Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM50467886 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1797233 (CHEMBL4269350) |
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IC50 | 1500±n/a nM |
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Citation | Knutsson, S; Engdahl, C; Kumari, R; Forsgren, N; Lindgren, C; Kindahl, T; Kitur, S; Wachira, L; Kamau, L; Ekström, F; Linusson, A Noncovalent Inhibitors of Mosquito Acetylcholinesterase 1 with Resistance-Breaking Potency. J Med Chem61:10545-10557 (2018) [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: | Acetylcholinesterase | ace-1 |
Type: | PROTEIN |
Mol. Mass.: | 78192.84 |
Organism: | Aedes aegypti |
Description: | ChEMBL_117852 |
Residue: | 702 |
Sequence: | MEIRGLITRLLGPCHIRHLILCSLGIYSILVQSVHCRHHDIGSSTAHQLGSKYSQSSSLS
SSSQSSSSLVEDPVLNKDSDAFFTPYIGHGDSVRIVDAELGTLEREHVHSTTTRRRGLTR
RESSSDGTDNDPLLITTDKGKVRGLTLEAPSGKKVDAWLGIPYAQPPLGPLRFRHPRPVE
KWTGVLNATTPPNSCVQIVDTVFGDFPGATMWNPNTPLSEDCLYINVVVPHPRPKNSAVM
LWIFGGGFYSGTATLDVYDHRTLASEENVIVVSLQYRVASLGFLFLGTPEAPGNAGLFDQ
NLALRWVRDNIHKFGGDPSRVTLFGESAGAVSVSLHLLSALSRDLFQRAILQSGSPTAPW
ALVSREEATLRALRLAEAVNCPHDATKLTDTVECLRTKDPNVLVDNEWGTLGICEFPFVP
VVDGAFLDETPQRSLASGRFKKTDILTGSNTEEGYYFIIYYLTELLRKEEGVTVSREEFL
QAVRELNPYVNGAARQAIVFEYTDWTEPENPNSNRDALDKMVGDYHFTCNVNEFAQRYAE
EGNNVYMYLYTHRSKGNPWPRWTGVMHGDEINYVFGEPLNSDLGYMEDEKDFSRKIMRYW
SNFAKTGNPNPSPPNSDFPEWPKHTAHGRHYLELGLNTTYVGRGPRLRQCAFWKKYLPQL
VAATSNLQATPAPSEPCGSSATPYRPLLFLIVSLVLVTCFKI
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BDBM50467886 |
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n/a |
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Name | BDBM50467886 |
Synonyms: | CHEMBL4291400 |
Type | Small organic molecule |
Emp. Form. | C19H28IN3O2 |
Mol. Mass. | 457.349 |
SMILES | CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(I)cc1 |
Structure |
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