Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM50281126 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1521648 (CHEMBL3626448) |
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IC50 | 18±n/a nM |
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Citation | Camerino, E; Wong, DM; Tong, F; Körber, F; Gross, AD; Islam, R; Viayna, E; Mutunga, JM; Li, J; Totrov, MM; Bloomquist, JR; Carlier, PR Difluoromethyl ketones: Potent inhibitors of wild type and carbamate-insensitive G119S mutant Anopheles gambiae acetylcholinesterase. Bioorg Med Chem Lett25:4405-11 (2015) [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: | ACE1 | ACE1 | ACES_ANOGA | ACHE1 | AChE | Ace | Acetylcholinesterase |
Type: | PROTEIN |
Mol. Mass.: | 80902.47 |
Organism: | Anopheles gambiae |
Description: | ChEMBL_104567 |
Residue: | 737 |
Sequence: | MEIRGLLMGRLRLGRRMVPLGLLGVTALLLILPPFALVQGRHHELNNGAAIGSHQLSAAA
GVGLASQSAQSGSLASGVMSSVPAAGASSSSSSSLLSSSAEDDVARITLSKDADAFFTPY
IGHGESVRIIDAELGTLEHVHSGATPRRRGLTRRESNSDANDNDPLVVNTDKGRIRGITV
DAPSGKKVDVWLGIPYAQPPVGPLRFRHPRPAEKWTGVLNTTTPPNSCVQIVDTVFGDFP
GATMWNPNTPLSEDCLYINVVAPRPRPKNAAVMLWIFGGGFYSGTATLDVYDHRALASEE
NVIVVSLQYRVASLGFLFLGTPEAPGNAGLFDQNLALRWVRDNIHRFGGDPSRVTLFGES
AGAVSVSLHLLSALSRDLFQRAILQSGSPTAPWALVSREEATLRALRLAEAVGCPHEPSK
LSDAVECLRGKDPHVLVNNEWGTLGICEFPFVPVVDGAFLDETPQRSLASGRFKKTEILT
GSNTEEGYYFIIYYLTELLRKEEGVTVTREEFLQAVRELNPYVNGAARQAIVFEYTDWTE
PDNPNSNRDALDKMVGDYHFTCNVNEFAQRYAEEGNNVYMYLYTHRSKGNPWPRWTGVMH
GDEINYVFGEPLNPTLGYTEDEKDFSRKIMRYWSNFAKTGNPNPNTASSEFPEWPKHTAH
GRHYLELGLNTSFVGRGPRLRQCAFWKKYLPQLVAATSNLPGPAPPSEPCESSAFFYRPD
LIVLLVSLLTATVRFIQ
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BDBM50281126 |
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n/a |
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Name | BDBM50281126 |
Synonyms: | 1-(3-tert-Butyl-phenyl)-2,2,2-trifluoro-ethanone | CHEMBL89354 |
Type | Small organic molecule |
Emp. Form. | C12H13F3O |
Mol. Mass. | 230.2262 |
SMILES | CC(C)(C)c1cccc(c1)C(=O)C(F)(F)F |
Structure |
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