Reaction Details |
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Target | Cholinesterase |
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Ligand | BDBM50346858 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_753890 (CHEMBL1798234) |
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IC50 | 16400±n/a nM |
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Citation | Macabeo, AP; Vidar, WS; Chen, X; Decker, M; Heilmann, J; Wan, B; Franzblau, SG; Galvez, EV; Aguinaldo, MA; Cordell, GA Mycobacterium tuberculosis and cholinesterase inhibitors from Voacanga globosa. Eur J Med Chem46:3118-23 (2011) [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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BDBM50346858 |
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n/a |
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Name | BDBM50346858 |
Synonyms: | CHEMBL1797183 |
Type | Small organic molecule |
Emp. Form. | C43H48N4O7 |
Mol. Mass. | 732.8638 |
SMILES | COC(=O)C1C[C@]23CCO[C@H]2[C@@]2(C[C@@H]4C[C@]56CC(=O)O[C@H]5CCN5CC[C@]7([C@H]4N(C2)c2c7cccc2OC)[C@H]65)[C@@H](O)N2CC[C@@]4([C@H]32)C1=Nc1ccccc41 |r,t:57| |
Structure |
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