Reaction Details |
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Target | Fatty acid synthase [2202-2509] |
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Ligand | BDBM24586 |
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Substrate/Competitor | BDBM24568 |
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Meas. Tech. | Fluorogenic Assay for Detection of FASTE Inhibition |
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pH | 7.4±n/a |
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Temperature | 310.15±n/a K |
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IC50 | 1720±90 nM |
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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 Chem51:5285-96 (2008) [PubMed] Article |
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More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, Assay Method |
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Fatty acid synthase [2202-2509] |
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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: | CPTPKEDGLAQQQTQLNLRSLLVNPEGPTLMRLNSVQSSERPLFLVHPIEGSTTVFHSLA
SRLSIPTYGLQCTRAAPLDSIHSLAAYYIDCIRQVQPEGPYRVAGYSYGACVAFEMCSQL
QAQQSPAPTHNSLFLFDGSPTYVLAYTQSYRAKLTPGCEAEAETEAICFFVQQFTDMEHN
RVLEALLPLKGLEERVAAAVDLIIKSHQGLDRQELSFAARSFYYKLRAAEQYTPKAKYHG
NVMLLRAKTGGAYGEDLGADYNLSQVCDGKVSVHVIEGDHRTLLEGSGLESIISIIHSSL
AEPRVSVR
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BDBM24586 |
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BDBM24568 |
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Name | BDBM24586 |
Synonyms: | (1R)-1-{[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]methyl}dodecyl N-formylglycinate | (2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl 2-formamidoacetate | CHEMBL458827 | Orlistat derivative, 15g | Orlistat derivative, 17c |
Type | Small organic molecule |
Emp. Form. | C25H45NO5 |
Mol. Mass. | 439.6285 |
SMILES | CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)CNC=O |r| |
Structure |
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