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Target
Fatty acid synthase [2202-2509]
Ligand
BDBM24577
Substrate
BDBM24568
Meas. Tech.
Fluorogenic Assay for Detection of FASTE Inhibition
pH
7.4±n/a
Temperature
310.15±n/a K
IC50
370±60 nM
Citation
 Richardson, RD; Ma, G; Oyola, Y; Zancanella, M; Knowles, LM; Cieplak, P; Romo, D; Smith, JW Synthesis of novel beta-lactone inhibitors of fatty acid synthase. J Med Chem 51:5285-96 (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:
BDBM24577
Synonyms:
(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]-3-{[(4-methylbenzene)sulfonyl]oxy}propan-2-yl 2-formamidoacetate | Orlistat derivative, 17e
Type:
Small organic molecule
Emp. Form.:
C22H31NO8S
Mol. Mass.:
469.548
SMILES:
CCCCCC[C@H]1[C@H](C[C@@H](COS(=O)(=O)c2ccc(C)cc2)OC(=O)CNC=O)OC1=O |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:
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