Reaction Details | |||
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Target | Acetyl-CoA carboxylase 1 | ||
Ligand | BDBM527543 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ACC1 Enzyme Activity Assay | ||
IC50 | 0.870±n/a nM | ||
Citation | Wang, Y; Zhao, L; Wang, Y; Quan, X; Jiang, C; Chen, H; Chen, M; Li, C; Liao, Y; Liu, Q; Wang, C; Wang, H; Yang, S; Zheng, G Compound as ACC inhibitor and use thereof US Patent US11186587 Publication Date 11/30/2021 | ||
More Info.: | Get all data from this article, Assay Method | ||
Acetyl-CoA carboxylase 1 | |||
Name: | Acetyl-CoA carboxylase 1 | ||
Synonyms: | ACAC | ACACA | ACACA_HUMAN | ACC-alpha | ACC1 | ACCA | Acetyl-CoA carboxylase 1 | Acetyl-CoA carboxylase 1 (ACC1) | ||
Type: | Protein | ||
Mol. Mass.: | 265543.22 | ||
Organism: | Homo sapiens (Human) | ||
Description: | Q13085 | ||
Residue: | 2346 | ||
Sequence: |
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BDBM527543 | |||
n/a | |||
Name | BDBM527543 | ||
Synonyms: | US11186587, Example 26 | ||
Type | Small organic molecule | ||
Emp. Form. | C32H31N3O9S | ||
Mol. Mass. | 633.668 | ||
SMILES | COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(-c2ccc(cc2OC)C(O)=O)c1=O)-c1ncco1)OC1CCOCC1 |(2.47,-4.62,;1.14,-3.85,;-.19,-4.62,;-.19,-6.16,;-1.53,-6.93,;-2.86,-6.16,;-2.86,-4.62,;-1.53,-3.85,;-1.53,-2.31,;-.19,-1.54,;-.19,,;-1.53,.77,;-2.99,.29,;-3.9,1.54,;-2.99,2.79,;-3.47,4.25,;-1.53,2.31,;-.19,3.08,;-.19,4.62,;1.14,2.31,;2.47,3.08,;2.47,4.62,;3.81,5.39,;5.19,4.65,;5.14,3.08,;3.81,2.31,;3.81,.77,;5.14,,;6.52,5.42,;7.86,4.65,;6.52,6.96,;1.14,.77,;2.47,,;-5.44,1.54,;-6.34,2.79,;-7.81,2.31,;-7.81,.77,;-6.34,.29,;-2.86,-1.54,;-4.2,-2.31,;-5.53,-1.54,;-6.86,-2.31,;-6.86,-3.85,;-5.53,-4.62,;-4.2,-3.85,)| | ||
Structure |