Reaction Details
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Fatty acid synthase
Ligand
BDBM50394659
Substrate
n/a
Meas. Tech.
ChEMBL_857805 (CHEMBL2169238)
IC50
16000±n/a nM
Citation
Abramson, HN The lipogenesis pathway as a cancer target. J Med Chem 54:5615-38 (2011) [PubMed] Article More Info.:
Target
Name:
Fatty acid synthase
Synonyms:
FAS | FASN | FAS_CHICK | Fatty acid synthase (FAS)
Type:
Enzyme
Mol. Mass.:
274770.36
Organism:
Gallus gallus (Chicken)
Description:
P12276
Residue:
2512
Sequence:
MEDVVIAGIAGKLPESENLQEFWENLLNGVDMVTEDDRRWKPGIYGLPKRNGKLKDIKKFDASFFGVHPKQAHTMDPQLRLLLEVSYEAILDGGINPTALRGTDTGVWVGASGSEALEALSQDPEELLGYSMTGCQRAMLANRISYFYDFTGPSLTIDTACSSSLMALENAYKAIRHGQCSAALVGGVNILLKPNTSVQFMKLGMLSPDGACKAFDVSGNGYCRSEAVVVVLLTKKSMAKRVYATIVNAGSNTDGFKEQGVTFPSGEMQQQLVGSLYRECGIKPGDVEYVEAHGTGTKVGDPQEVNGIVNVFCQCEREPLLIGSTKSNMGHPEPASGLAALAKVILSLEHGLWAPNLHFNDPNPDIPALHDGSLKVVCKPTPVKGGLVSINSFGFGGSNAHVILRPNEKKCQPQETCNLPRLVQVCGRTQEAVEILIEESRKHGGCSPFLSLLSDISAVPVSSMPYRGYTLVGTESDITEIQQVQASGRPLWYICSGMGTQWKGMGLSLMKLDLFRQSILRSDEALKSTGLKVSDLLLNADENTFDDTVHAFVGLAAIQIAQIDVLKAAGLQPDGILGHSVGELACGYADNSLSHEEAVLAAYWRGRCVKEAKLPPGGMAAVGLTWEECKQRCPPNVVPACHNSEDTVTVSGPLDSVSEFVTKLKKDGVFAKEVRRAGVAFHSYYMASIAPALLSALKKVIPHPKPRSARWISTSIPESQWQSDLARNSSAEYHVNNLVNPVLFHEGLKHIPENAVVVEIAPHALLQAILRRTLKPTCTILPLMKKDHKNNLEFFLTQTGKIHLTGINVLGNNLFPPVEYPVPVGTPLISPYIKWDHSQDWDVPKAEDFPSGSKGSASASVYNIDVSPDSPDHYLVGHCIDGRVLYPATGYLVLAWRTLARSLGMVMEQTAVMFEEVTIHQATILPKKGSTQLEVRIMPASHSFEVSGNGNLAVSGKISLLENDALKNFHNQLADFQSQANVTAKSGLLMEDVYQELHLRGYNYGPTFQGVLECNSEGSAGKILWNGNWVTFLDTLLHLIVLAETGRSLRLPTRIRSVYIDPVLHQEQVYQYQDNVEAFDVVVDRCLDSLKAGGVQINGLHASVAPRRQQERISPTLEKFSFVPYIESDCLSSSTQLHAYLEHCKGLIQKLQAKMALHGVKLVIHGLETKGAAAGSPPAQKGLQHILTEICRLELNGNPHSELEQIVTQEKMHLQDDPLLNGLLDSSELKTCLDVAKENTTSHRMKIVEALAGSGRLFSRVQSILNTQPLLQLDYIATDCTPETLSDNETELHDAGISFSQWDPSSLPSGNLTNADLAVCNCSTSVLGNTAEIISNLAAAVKEGGFVLLHTLLKEETLGEIVSFLTSPDLQQKHSFLSQAQWEELFSKASLNLVAMKRSFFGSVIFLCRRQSPAKAPILLPVDDTHYKWVDSLKEILADSSEQPLWLTATNCGNSGILGMVNCLRLEAEGHRIRCVFVSNLSPSSTVPATSLSSLEMQKIIERDLVMNVYRDGKWGSFRHLPLQQAQPQELTECAYVNVLTRGDLSSLRWIVSPLRHFQTTNPNVQLCKVYYASLNFWDIMLATGKLSPDAIPGNWTLQQCMLGMEFSGRDLAGRRVMGLLPAKGLATVVDCDKRFLWEVPENWTLEEAASVPVVYATAYYALVVRGGMKKGESVLIHSGSGGVGQAAIAIALSMGCRVFATVGSAEKREYLQARFPQLDANSFASSRNTTFQQHILRVTNGKGVSLVLNSLAEEKLQASLRCLAQHGRFLEIGKFDLSNNSQLGMALFLKNVAFHGILLDSIFEEGNQEWEVVSELLTKGIKDGVVKPLRTTVFGKEEVEAAFRFMAQGKHIGKVMIKIQEEEKQYPLRSEPVKLSAISRTSCPPTKSYIITGGLGGFGLELAQWLIERGAQKLVLTSRSGIRTGYQAKCVREWKALGIQVLVSTSDVGTLEGTQLLIEEALKLGPVGGIFNLAVVLKDAMIENQTPELFWEVNKPKYSGTLHLDWVTRKKCPDLDYFVVFSSVSCGRGNAGQSNYGFANSAMERICEQRHHDGLPGLAVQWGAIGDVGILKAMGNREVVIGGTVLQQISSCLEVLDMFLNQPHPVMSSFVLAEKVSVKSEGGSQRDLVEAVAHILGVRDVSSLNAESSLADLGLDSLMGVEVRQTLERDYDIVMTMREIRLLTINKLRELSSKTGTAEELKPSQVLKTGPGEPPKLDLNNLLVNPEGPTITRLNEVQSTERPLFLVHPIEGSIAVFYTLASKLHMPCYGLQCTKAAPLDSIQSLASYYIDCMKQIQPEGPYRIAGYSFGACVAFEMCSQLQAQQNASHALNSLFLFDGSHSFVAAYTQSYRAKLTQGNEAALETEALCAFVQQFTGIEYNKLLEILLPLEDLEARVNAAADLITQIHKNINREALSFAAASFYHKLKAADKYIPESKYHGNVTLMRAKTHNEYEEGLGGDYRLSEVCDGKVSVHIIEGDHRTLLEGDGVESIIGIIHGSLAEPRVSVREG
Inhibitor
Name:
BDBM50394659
Synonyms:
CHEMBL2165410
Type:
Small organic molecule
Emp. Form.:
C71H114N24O34
Mol. Mass.:
1847.8053
SMILES:
[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](-[#8])=O |r|
Structure:
