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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Long-chain-fatty-acid--CoA ligase 1 | ||
| Ligand | BDBM50549490 | ||
| 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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| BDBM50549490 | |||
| n/a | |||
| Name | BDBM50549490 | ||
| Synonyms: | CHEMBL4792940 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C21H20O5 | ||
| Mol. Mass. | 352.3805 | ||
| SMILES | OC(=O)C[C@H]1CC[C@@H](CC1)Oc1ccc2oc3ccccc3c(=O)c2c1 |r,wU:7.10,wD:4.3,(21.15,-27.18,;19.82,-27.95,;19.82,-29.49,;18.49,-27.17,;17.15,-27.94,;15.82,-27.17,;14.48,-27.94,;14.49,-29.47,;15.82,-30.24,;17.15,-29.48,;13.16,-30.24,;11.82,-29.47,;11.82,-27.92,;10.48,-27.16,;9.15,-27.93,;7.81,-27.14,;6.47,-27.92,;5.13,-27.16,;3.81,-27.93,;3.8,-29.47,;5.14,-30.24,;6.47,-29.48,;7.8,-30.25,;7.8,-31.79,;9.15,-29.47,;10.49,-30.25,)| | ||
| Structure | 
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