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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Long-chain-fatty-acid--CoA ligase 1 | ||
| Ligand | BDBM50549491 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2024887 (CHEMBL4678700) | ||
| IC50 | >200000±n/a nM | ||
| Citation |  Hayashi, K; Kondo, N; Omori, N; Yoshimoto, R; Hato, M; Shigaki, S; Nagasawa, A; Ito, M; Okuno, T Discovery of a benzimidazole series as the first highly potent and selective ACSL1 inhibitors. Bioorg Med Chem Lett33:0 (2021) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Long-chain-fatty-acid--CoA ligase 1 | |||
| Name: | Long-chain-fatty-acid--CoA ligase 1 | ||
| Synonyms: | 6.2.1.15 | 6.2.1.24 | 6.2.1.3 | ACS1 | ACSL1 | ACSL1_HUMAN | Acyl-CoA synthetase 1 | Arachidonate--CoA ligase | FACL1 | FACL2 | LACS | LACS 1 | LACS 2 | LACS1 | LACS2 | Long-chain acyl-CoA synthetase 1 | Long-chain acyl-CoA synthetase 2 | Long-chain fatty acid-CoA ligase 2 | Long-chain-fatty-acid--CoA ligase 1 | Palmitoyl-CoA ligase 1 | Palmitoyl-CoA ligase 2 | Phytanate--CoA ligase | Synonyms=FACL1 | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 77946.51 | ||
| Organism: | Homo sapiens | ||
| Description: | ChEMBL_117991 | ||
| Residue: | 698 | ||
| Sequence: |
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| BDBM50549491 | |||
| n/a | |||
| Name | BDBM50549491 | ||
| Synonyms: | CHEMBL4798042 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C21H20O5 | ||
| Mol. Mass. | 352.3805 | ||
| SMILES | OC(=O)[C@@H]1CC[C@H](COc2ccc3oc4ccccc4c(=O)c3c2)CC1 |r,wU:6.6,3.2,(67.49,-20.53,;66.16,-21.3,;66.15,-22.84,;64.83,-20.52,;64.83,-18.98,;63.49,-18.21,;62.17,-18.99,;60.83,-18.22,;59.5,-18.99,;58.17,-18.22,;58.16,-16.67,;56.82,-15.91,;55.49,-16.68,;54.15,-15.89,;52.81,-16.67,;51.47,-15.91,;50.15,-16.68,;50.14,-18.22,;51.48,-18.99,;52.81,-18.23,;54.14,-19,;54.14,-20.54,;55.49,-18.22,;56.83,-19,;62.16,-20.52,;63.49,-21.29,)| | ||
| Structure | 
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