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Target
Long-chain-fatty-acid--CoA ligase 1
Ligand
BDBM50549460
Substrate
n/a
Meas. Tech.
ChEMBL_2024885 (CHEMBL4678698)
IC50
13±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:
BDBM50549460
Synonyms:
CHEMBL4750346
Type:
Small organic molecule
Emp. Form.:
C23H25FN6O
Mol. Mass.:
420.4826
SMILES:
Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@](F)(CC4)c4nnn[nH]4)ccc3n2C)c1 |r,wU:13.12,16.20,(3.66,-22.89,;5.2,-22.9,;5.96,-24.24,;7.51,-24.24,;8.28,-22.91,;7.51,-21.58,;8.28,-20.25,;9.82,-20.26,;10.72,-21.51,;12.19,-21.04,;13.53,-21.81,;14.87,-21.03,;16.2,-21.8,;17.53,-21.03,;17.53,-19.5,;18.87,-18.73,;20.21,-19.5,;20.2,-17.96,;20.2,-21.05,;18.87,-21.81,;21.54,-18.74,;21.71,-17.21,;23.21,-16.9,;23.98,-18.23,;22.95,-19.37,;14.86,-19.48,;13.52,-18.72,;12.2,-19.49,;10.73,-19.01,;10.26,-17.55,;5.97,-21.57,)|
Structure:
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