Reaction Details |
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Target | Cholinesterase |
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Ligand | BDBM50528685 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2053125 (CHEMBL4708126) |
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IC50 | 140±n/a nM |
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Citation | Zhang, Z; Min, J; Chen, M; Jiang, X; Xu, Y; Qin, H; Tang, W The structure-based optimization of ?-sultone-fused pyrazoles as selective BuChE inhibitors. Eur J Med Chem201:0 (2020) [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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BDBM50528685 |
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n/a |
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Name | BDBM50528685 |
Synonyms: | CHEMBL4457213 |
Type | Small organic molecule |
Emp. Form. | C14H13FN2O3S |
Mol. Mass. | 308.328 |
SMILES | Fc1ccccc1-n1nc(C2CC2)c2CCS(=O)(=O)Oc12 |
Structure |
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