Reaction Details | |||
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Target | Acetyl-CoA carboxylase 1 | ||
Ligand | BDBM527546 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ACC1 Enzyme Activity Assay | ||
IC50 | 2.13±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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BDBM527546 | |||
n/a | |||
Name | BDBM527546 | ||
Synonyms: | US11186587, Example 29 | ||
Type | Small organic molecule | ||
Emp. Form. | C32H31N3O9S | ||
Mol. Mass. | 633.668 | ||
SMILES | COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(-c2cccc(C(O)=O)c2OC)c1=O)-c1ncco1)OC1CCOCC1 |(-2.86,-3.85,;-1.53,-3.08,;-.19,-3.85,;-.19,-5.39,;1.14,-6.16,;2.47,-5.39,;2.47,-3.85,;1.14,-3.08,;1.14,-1.54,;-.19,-.77,;-.19,.77,;-1.53,1.54,;-2.99,1.06,;-3.9,2.31,;-2.99,3.56,;-3.47,5.02,;-1.53,3.08,;-.19,3.85,;-.19,5.39,;1.14,3.08,;2.47,3.85,;2.47,5.39,;3.81,6.16,;5.14,5.39,;5.19,3.82,;6.52,3.05,;6.52,1.51,;7.86,3.82,;3.81,3.08,;3.81,1.54,;5.14,.77,;1.14,1.54,;2.47,.77,;-5.44,2.31,;-6.34,3.56,;-7.81,3.08,;-7.81,1.54,;-6.34,1.06,;2.47,-.77,;3.81,-1.54,;3.81,-3.08,;5.14,-3.85,;6.47,-3.08,;6.47,-1.54,;5.14,-.77,)| | ||
Structure |