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Target
Fatty acid synthase
Ligand
BDBM50525843
Substrate
n/a
Meas. Tech.
ChEMBL_1898304 (CHEMBL4400339)
IC50
13920±n/a nM
Citation
 Fang, H; He, J; Ran, T; Chen, H; Jin, W; Tang, B; Hong, Z; Fang, M Synthesis, biological activities, and docking studies of d-pantolactone derivatives as novel FAS inhibitors. Bioorg Med Chem 27:0 (2019) [PubMed]  Article 
Target
Name:
Fatty acid synthase
Synonyms:
FAS_MOUSE | Fasn
Type:
PROTEIN
Mol. Mass.:
272427.70
Organism:
Mus musculus
Description:
ChEMBL_771324
Residue:
2504
Sequence:
MEEVVIAGMSGKLPESENLQEFWANLIGGVDMVTDDDRRWKAGLYGLPKRSGKLKDLSKFDASFFGVHPKQAHTMDPQLRLLLEVSYEAIVDGGINPASLRGTNTGVWVGVSGSEASEALSRDPETLLGYSMVGCQRAMMANRLSFFFDFKGPSIALDTACSSSLLALQNAYQAIRSGECPAALVGGINLLLKPNTSVQFMKLGMLSPDGTCRSFDDSGSGYCRSEAVVAVLLTKKSLARRVYATILNAGTNTDGSKEQGVTFPSGEVQEQLICSLYQPAGLAPESLEYIEAHGTGTKVGDPQELNGITRSLCAFRQAPLLIGSTKSNMGHPEPASGLAALTKVLLSLEHGVWAPNLHFHNPNPEIPALLDGRLQVVDRPLPVRGGNVGINSFGFGGSNVHVILQPNTRQAPAPTAHAALPHLLHASGRTLEAVQDLLEQGRQHSQDLAFVSMLNDIAATPTAAMPFRGYTVLGVEGRVQEVQQVSTNKRPLWFICSGMGTQWRGMGLSLMRLDSFRESILRSDEAVKPLGVKVSDLLLSTDERTFDDIVHAFVSLTAIQIALIDLLTSVGLKPDGIIGHSLGEVACGYADGCLSQREAVLAAYWRGQCIKDAHLPPGSMAAVGLSWEECKQRCPAGVVPACHNSEDTVTISGPQAAVNEFVEQLKQEGVFAKEVRTGGLAFHSYFMEGIAPTLLQALKKVIREPRPRSARWLSTSIPEAQWQSSLARTSSAEYNVNNLVSPVLFQEALWHIPEHAVVLEIAPHALLQAVLKRGVKSSCTIIPLMKRDHKDNLEFFLTNLGKVHLTGINVNPNALFPPVEFPAPRGTPLISPHIKWDHSQTWDVPVAEDFPNGSSSSSATVYSIDASPESPDHYLVDHCIDGRVIFPGTGYLCLVWKTLARSLGLSLEETPVVFENVSFHQATILPKTGTVALEVRLLEASHAFEVSDTGNLIVSGKVYLWEDPNSKLFDHPEVPTPPESASVSRLTQGEVYKELRLRGYDYGPQFQGICEATLEGEQGKLLWKDNWVTFMDTMLQVSILGSSQQSLQLPTRVTAIYIDPATHRQKVYRLKEDTQVADVTTSRCLGITVSGGIHISRLQTTATSRRQQEQLVPTLEKFVFTPHMEAECLSESTALQKELQLCKGLARALQTKATQQGLKAAMLGQEDPPQHGLPRLLAAACQLQLNGNLQLELGEALAQERLLLPEDPLISGLLNSQALKACVDTALENLSTLKMKVAEVLAGEGHLYSRIPALLNTQPMLQLEYTATDRHPQALKDVQTKLQQHDVAQGQWNPSDPAPSSLGALDLLVCNCALATLGDPALALDNMVAALKEGGFLLVHTVLKGHALGETLACLPSEVQPAPSLLSQEEWESLFSRKALHLVGLKRSFYGTALFLCRRAIPQEKPIFLSVEDTSFQWVDSLKSTLATSSSQPVWLTAMDCPTSGVVGLVNCLRKEPGGHRIRCILLSNLSNTSHAPKLDPGSPELQQVLKHDLVMNVYRDGAWGAFRHFQLEQDKPKEQTAHAFVNVLTRGDLASIRWVSSPLKHTQPSSSGAQLCTVYYASLNFRDIMLATGKLSPDAIPGKWASRDCMLGMEFSGRDRCGRRVMGLVPAEGLATSVLLSSDFLWDVPSSWTLEEAASVPVVYTTAYYSLVVRGRIQRGETVLIHSGSGGVGQAAISIALSLGCRVFTTVGSAEKRAYLQARFPQLDDTSFANSRDTSFEQHVLLHTGGKGVDLVLNSLAEEKLQASVRCLAQHGRFLEIGKFDLSNNHPLGMAIFLKNVTFHGILLDALFEEANDSWREVAALLKAGIRDGVVKPLKCTVFPKAQVEDAFRYMAQGKHIGKVLVQVREEEPEAVLPGAQPTLISAISKTFCPAHKSYIITGGLGGFGLELARWLVLRGAQRLVLTSRSGIRTGYQAKHIREWRRQGIQVLVSTSNVSSLEGARALIAEATKLGPVGGVFNLAMVLRDAMLENQTPELFQDVNKPKYNGTLNLDRATREACPELDYFVAFSSVSCGRGNAGQTNYGFANSTMERICEQRRHDGLPGLAVQWGAIGDVGIVLEAMGTNDTVIGGTLPQRISSCMEVLDLFLNQPHAVLSSFVLAEKKAVAHGDGDTQRDLVKAVAHILGIRDLAGINLDSTLADLGLDSLMGVEVRQILEREHDLVLPMREVRQLTLRKLQEMSSKTDSATDTTAPKSRSDTSLKQNQLNLSTLLVNPEGPTLTQLNSVQSSERPLFLVHPIEGSTTVFHSLAAKLSVPTYGLQCTQAAPLDSIPNLAAYYIDCIKQVQPEGPYRIAGYSFGACVAFEMCSQLQAQQGPAPTHNNLFLFDGSHTYVLAYTQSYRAKMTPGCEAEAEAEALCFFIKQFLDVEHSKVLEALLPLKSLEDRVAASVDLITKSHHSLDRRELSFAAVSFYHKLRAADQYKPKAKYHGNVTLLRAKTGGTYGEDLGADYNLSQVCDGKVSVHIIEGDHRTLLEGSGLESIINIIHSSLAEPRVSVREG
  
Inhibitor
Name:
BDBM50525843
Synonyms:
CHEMBL4585660
Type:
Small organic molecule
Emp. Form.:
C19H20O10
Mol. Mass.:
408.3561
SMILES:
CC(=O)Oc1cc(cc(OC(C)=O)c1OC(C)=O)C(=O)O[C@H]1C(=O)OCC1(C)C |r|
Structure:
Search PDB for entries with ligand similarity: