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Target
Fatty acid synthase [2202-2509]
Ligand
BDBM24975
Substrate
BDBM24568
Meas. Tech.
Fluorogenic Assay for Detection of FASTE Inhibition
pH
7.4±n/a
Temperature
310.15±n/a K
IC50
8600±n/a nM
Citation
 Zhang, W; Richardson, RD; Chamni, S; Smith, JW; Romo, D Beta-lactam congeners of orlistat as inhibitors of fatty acid synthase. Bioorg Med Chem Lett 18:2491-4 (2008) [PubMed]  Article 
Target
Name:
Fatty acid synthase [2202-2509]
Synonyms:
FAS | FASN | FAS_HUMAN | Fatty Acid Synthase
Type:
Thioesterase domain
Mol. Mass.:
33927.11
Organism:
Homo sapiens (Human)
Description:
The recombinant thioesterase domain (residues 2202-2509) of FAS was cloned and expressed in Escheria coli. The thioesterase was purified by Ni-affinity chromatography, and analyzed for activity and inhibition by Orlistat.
Residue:
308
Sequence:
CPTPKEDGLAQQQTQLNLRSLLVNPEGPTLMRLNSVQSSERPLFLVHPIEGSTTVFHSLASRLSIPTYGLQCTRAAPLDSIHSLAAYYIDCIRQVQPEGPYRVAGYSYGACVAFEMCSQLQAQQSPAPTHNSLFLFDGSPTYVLAYTQSYRAKLTPGCEAEAETEAICFFVQQFTDMEHNRVLEALLPLKGLEERVAAAVDLIIKSHQGLDRQELSFAARSFYYKLRAAEQYTPKAKYHGNVMLLRAKTGGAYGEDLGADYNLSQVCDGKVSVHVIEGDHRTLLEGSGLESIISIIHSSLAEPRVSVR
  
Inhibitor
Name:
BDBM24975
Synonyms:
(3S,4S)-1-(benzyloxy)-4-[(2S)-2-[(tert-butyldimethylsilyl)oxy]tridecyl]-3-hexylazetidin-2-one | beta-lactam derivative of orlistat, (-)-9
Type:
Small organic molecule
Emp. Form.:
C35H63NO3Si
Mol. Mass.:
573.9651
SMILES:
CCCCCCCCCCC[C@@H](C[C@H]1[C@H](CCCCCC)C(=O)N1OCc1ccccc1)O[Si](C)(C)C(C)(C)C |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM24568
Synonyms:
4-methyl-2-oxo-2H-chromen-7-yl heptanoate | 4-methylumbelliferyl heptanoate (4-MUH)
Type:
fluorogenic substrate
Emp. Form.:
C17H20O4
Mol. Mass.:
288.3383
SMILES:
CCCCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1
Structure:
Search PDB for entries with ligand similarity: