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Target
Long-chain-fatty-acid--CoA ligase 1
Ligand
BDBM50549459
Substrate
n/a
Meas. Tech.
ChEMBL_2024885 (CHEMBL4678698)
IC50
15±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:
BDBM50549459
Synonyms:
CHEMBL4764916
Type:
Small organic molecule
Emp. Form.:
C24H25FN6O2
Mol. Mass.:
448.4927
SMILES:
Cn1c(Cc2ccc3CCOc3c2)nc2cc(O[C@H]3CC[C@](F)(CC3)c3nnn[nH]3)ccc12 |r,wU:18.19,21.27,(33.36,-17.81,;33.83,-19.28,;32.92,-20.52,;31.38,-20.51,;30.61,-21.84,;29.07,-21.83,;28.3,-23.16,;29.06,-24.5,;28.59,-25.97,;29.84,-26.87,;31.08,-25.97,;30.61,-24.5,;31.37,-23.17,;33.82,-21.77,;35.29,-21.3,;36.62,-22.07,;37.96,-21.3,;39.29,-22.07,;40.63,-21.29,;40.63,-19.77,;41.96,-19,;43.3,-19.77,;43.29,-18.22,;43.29,-21.31,;41.96,-22.07,;44.63,-19,;44.79,-17.48,;46.3,-17.16,;47.07,-18.5,;46.03,-19.64,;37.96,-19.75,;36.62,-18.98,;35.29,-19.76,)|
Structure:
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