Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM50467888 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1797234 (CHEMBL4269351) |
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IC50 | 5800±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: | 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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BDBM50467888 |
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n/a |
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Name | BDBM50467888 |
Synonyms: | CHEMBL4292499 |
Type | Small organic molecule |
Emp. Form. | C24H33N3O3 |
Mol. Mass. | 411.5371 |
SMILES | CCN1CCN(CCCNC(=O)COc2ccc(cc2)-c2ccc(OC)cc2)CC1 |
Structure |
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