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Target
Long-chain-fatty-acid--CoA ligase 1
Ligand
BDBM50549477
Substrate
n/a
Meas. Tech.
ChEMBL_2024885 (CHEMBL4678698)
IC50
5400±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 Lett 33:0 (2021) [PubMed]  Article 
Target
Name:
Long-chain-fatty-acid--CoA ligase 1
Synonyms:
6.2.1.15 | 6.2.1.24 | 6.2.1.3 | ACSL1_MOUSE | Acsl1 | Acsl2 | Arachidonate--CoA ligase | Facl2 | LACS 1 | Long-chain acyl-CoA synthetase 1 | Long-chain-fatty-acid--CoA ligase 1 | Phytanate--CoA ligase
Type:
PROTEIN
Mol. Mass.:
77954.63
Organism:
Mus musculus
Description:
ChEMBL_120094
Residue:
699
Sequence:
MEVHELFRYFRMPELIDIRQYVRTLPTNTLMGFGAFAALTTFWYATRPKALKPPCDLSMQSVEIAGTTDGIRRSAVLEDDKLLVYYYDDVRTMYDGFQRGIQVSNNGPCLGSRKPNQPYEWISYKEVAELAECIGSGLIQKGFKPCSEQFIGLFSQNRPEWVIVEQGCFSYSMVVVPLYDTLGADAITYIVNKAELSVIFADKPEKAKLLLEGVENKLTPCLKIIVIMDSYGSDLVERGKKCGVEIISLKALEDLGRVNRVKPKPPEPEDLAIICFTSGTTGNPKGAMITHQNIINDCSGFIKATESAFIASTDDVLISFLPLAHMFETVVECVMLCHGAKIGFFQGDIRLLMDDLKVLQPTIFPVVPRLLNRMFDRIFGQANTSLKRWLLDFASKRKEAELRSGIVRNNSLWDKLIFHKIQSSLGGKVRLMITGAAPVSATVLTFLRTALGCQFYEGYGQTECTAGCCLSLPGDWTAGHVGAPMPCNYVKLVDVEEMNYLASKGEGEVCVKGANVFKGYLKDPARTAEALDKDGWLHTGDIGKWLPNGTLKIIDRKKHIFKLAQGEYIAPEKIENIYLRSEAVAQVFVHGESLQAFLIAVVVPDVESLPSWAQKRGLQGSFEELCRNKDINKAILDDLLKLGKEAGLKPFEQVKGIAVHPELFSIDNGLLTPTLKAKRPELRNYFRSQIDELYATIKI
  
Inhibitor
Name:
BDBM50549477
Synonyms:
CHEMBL4752206
Type:
Small organic molecule
Emp. Form.:
C23H26N2O3
Mol. Mass.:
378.4641
SMILES:
Cc1ccccc1Cc1nc2cc(O[C@H]3CC[C@H](CC3)C(O)=O)ccc2n1C |r,wU:14.14,17.21,(4.84,-45.85,;5.61,-44.51,;4.84,-43.18,;5.62,-41.84,;7.16,-41.85,;7.92,-43.19,;7.14,-44.51,;7.91,-45.85,;9.45,-45.85,;10.35,-47.1,;11.82,-46.63,;13.15,-47.4,;14.49,-46.63,;15.83,-47.4,;17.16,-46.63,;17.16,-45.1,;18.5,-44.33,;19.84,-45.1,;19.83,-46.64,;18.5,-47.41,;21.17,-44.33,;22.5,-45.11,;21.17,-42.79,;14.49,-45.08,;13.15,-44.31,;11.82,-45.09,;10.36,-44.61,;9.89,-43.14,)|
Structure:
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