Reaction Details |
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Target | Cholinesterase |
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Ligand | BDBM50579319 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2134901 (CHEMBL4844511) |
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IC50 | 19±n/a nM |
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Citation | Wichur, T; Pasieka, A; Gody?, J; Panek, D; Góral, I; Latacz, G; Honkisz-Orzechowska, E; Bucki, A; Siwek, A; G?uch-Lutwin, M; Knez, D; Brazzolotto, X; Gobec, S; Ko?aczkowski, M; Sabate, R; Malawska, B; Wi?ckowska, A Discovery of 1-(phenylsulfonyl)-1H-indole-based multifunctional ligands targeting cholinesterases and 5-HT Eur J Med Chem225:0 (2021) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cholinesterase |
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Name: | Cholinesterase |
Synonyms: | BCHE | Butyrylcholinesterase (BuChE) | CHLE_HORSE | Cholinesterase |
Type: | Enzyme |
Mol. Mass.: | 65643.35 |
Organism: | Equus caballus (Horse) |
Description: | P81908 |
Residue: | 574 |
Sequence: | EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATK
YANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQT
GTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQK
NIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEAR
NRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLT
DMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPR
VSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYY
FEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNP
NGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAE
REWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
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BDBM50579319 |
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n/a |
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Name | BDBM50579319 |
Synonyms: | CHEMBL4850051 |
Type | Small organic molecule |
Emp. Form. | C32H34N4O3S |
Mol. Mass. | 554.702 |
SMILES | O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCNc3c4CCCCc4nc4ccccc34)cccc12 |
Structure |
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