| Reaction Details |
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 | Report a problem with these data |
| Target | Cholinesterase |
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| Ligand | BDBM50026636 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_858573 (CHEMBL2166018) |
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| IC50 | 8380±n/a nM |
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| Citation |  Brunhofer, G; Fallarero, A; Karlsson, D; Batista-Gonzalez, A; Shinde, P; Gopi Mohan, C; Vuorela, P Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine. Bioorg Med Chem20:6669-79 (2012) [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 |
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| Synonyms: | BCHE | Butyrylcholinesterase (BuChE) | CHLE_HORSE | Cholinesterase |
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| Type: | Enzyme |
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| Mol. Mass.: | 65643.35 |
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| Organism: | Equus caballus (Horse) |
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| Description: | P81908 |
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| Residue: | 574 |
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| Sequence: | EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATK
YANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQT
GTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQK
NIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEAR
NRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLT
DMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPR
VSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYY
FEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNP
NGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAE
REWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
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| BDBM50026636 |
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| n/a |
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| Name | BDBM50026636 |
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| Synonyms: | 17alpha-hydroxy-20alpha-yohimban-16beta-carboxylic acid methyl ester | CHEMBL10347 | RAUWOLSCINE HYDROCHLORIDE | alpha-yohimbine | corynanthidine | isoyohimbine | mesoyohimbine | methyl (16beta,17alpha,20alpha)-17-hydroxyyohimban-16-carboxylate | methyl 17alpha-hydroxy-20alpha-yohimban-16beta-carboxylate | rauwolscine |
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| Type | Small organic molecule |
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| Emp. Form. | C21H26N2O3 |
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| Mol. Mass. | 354.4427 |
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| SMILES | COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| |
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| Structure | 
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