Ki Summary

Reaction Details

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Target

Fatty acid synthase [2202-2509]

Ligand

BDBM24580

Substrate/Competitor

BDBM24568

Meas. Tech.

Fluorogenic Assay for Detection of FASTE Inhibition

7.4±n/a

Temperature

310.15±n/a K

IC50

500±120 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 Chem51:5285-96 (2008) [PubMed] Article

More Info.:

Get all data from this article, Inhibition_Run data, Solution Info, Assay Method

Fatty acid synthase [2202-2509]

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

BDBM24580

BDBM24568

Name

BDBM24580

Synonyms:

(2S,5E)-6-(4-fluorophenyl)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]hex-5-en-2-yl (2S)-2-formamido-4-methylpentanoate | Orlistat derivative, 21c

Type

Small organic molecule

Emp. Form.

C28H40FNO5

Mol. Mass.

489.6193

SMILES

CCCCCC[C@H]1[C@H](C[C@H](CC\C=C\c2ccc(F)cc2)OC(=O)[C@H](CC(C)C)NC=O)OC1=O |r|

Structure