Reaction Details |
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Target | Cholinesterase |
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Ligand | BDBM50306339 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_609577 (CHEMBL1073830) |
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Ki | 3180±n/a nM |
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Citation | Vitorovic-Todorovic, MD; Juranic, IO; Mandic, LM; Drakulic, BJ 4-Aryl-4-oxo-N-phenyl-2-aminylbutyramides as acetyl- and butyrylcholinesterase inhibitors. Preparation, anticholinesterase activity, docking study, and 3D structure-activity relationship based on molecular interaction fields. Bioorg Med Chem18:1181-93 (2010) [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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BDBM50306339 |
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n/a |
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Name | BDBM50306339 |
Synonyms: | 4-(2,4-Diisopropylphenyl)-4-oxo-N-phenyl-2-(R,S)-(4-morpholinyl)butyramide | CHEMBL599529 |
Type | Small organic molecule |
Emp. Form. | C26H34N2O3 |
Mol. Mass. | 422.5598 |
SMILES | CC(C)c1ccc(C(=O)CC(N2CCOCC2)C(=O)Nc2ccccc2)c(c1)C(C)C |
Structure |
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