| Reaction Details |
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 | Report a problem with these data |
| Target | Fatty acid synthase [2202-2509] |
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| Ligand | BDBM24567 |
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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 | 1350±340 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] |
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| Synonyms: | FAS | FASN | FAS_HUMAN | Fatty Acid Synthase |
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| Type: | Thioesterase domain |
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| Mol. Mass.: | 33927.11 |
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| Organism: | Homo sapiens (Human) |
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| 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. |
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| Residue: | 308 |
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| Sequence: | CPTPKEDGLAQQQTQLNLRSLLVNPEGPTLMRLNSVQSSERPLFLVHPIEGSTTVFHSLA
SRLSIPTYGLQCTRAAPLDSIHSLAAYYIDCIRQVQPEGPYRVAGYSYGACVAFEMCSQL
QAQQSPAPTHNSLFLFDGSPTYVLAYTQSYRAKLTPGCEAEAETEAICFFVQQFTDMEHN
RVLEALLPLKGLEERVAAAVDLIIKSHQGLDRQELSFAARSFYYKLRAAEQYTPKAKYHG
NVMLLRAKTGGAYGEDLGADYNLSQVCDGKVSVHVIEGDHRTLLEGSGLESIISIIHSSL
AEPRVSVR
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| BDBM24567 |
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| BDBM24568 |
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| Name | BDBM24567 |
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| Synonyms: | (2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl (2S)-2-formamido-4-methylpentanoate | CHEMBL175247 | Orlistat | THLP | Tetrahydrolipstatin | US9328123, Orlistat | Xenical |
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| Type | Small organic molecule |
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| Emp. Form. | C29H53NO5 |
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| Mol. Mass. | 495.7348 |
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| SMILES | CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r| |
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| Structure | 
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