Reaction Details | |||
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Target | Acetyl-CoA carboxylase 1 | ||
Ligand | BDBM527001 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ACC1 Enzyme Activity Assay | ||
IC50 | 0.680±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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BDBM527001 | |||
n/a | |||
Name | BDBM527001 | ||
Synonyms: | US11186587, Example 4 | ||
Type | Small organic molecule | ||
Emp. Form. | C30H33N3O8S | ||
Mol. Mass. | 595.663 | ||
SMILES | COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n([C@H]2C[C@](C)(C2)C(O)=O)c1=O)-c1ncco1)OC1CCOCC1 |r,wU:22.24,wD:20.21,8.39,22.27,(4.95,4.78,;3.62,4.01,;2.28,4.78,;2.28,6.32,;.95,7.09,;-.38,6.32,;-.38,4.78,;.95,4.01,;.95,2.47,;2.28,1.7,;2.28,.16,;.95,-.61,;-.51,-.14,;-1.42,-1.38,;-.51,-2.63,;-.99,-4.1,;.95,-2.15,;2.28,-2.92,;2.28,-4.46,;3.62,-2.15,;4.95,-2.92,;5.35,-4.41,;6.84,-4.01,;8.38,-3.97,;6.44,-2.53,;7.57,-5.37,;6.77,-6.68,;9.11,-5.41,;3.62,-.61,;4.95,.16,;-2.96,-1.38,;-3.87,-2.63,;-5.33,-2.15,;-5.33,-.61,;-3.87,-.14,;-.38,1.7,;-1.72,2.47,;-3.05,1.7,;-4.38,2.47,;-4.38,4.01,;-3.05,4.78,;-1.72,4.01,)| | ||
Structure |