Reaction Details Report a problem with these data
Target
Fatty acid synthase
Ligand
BDBM50070942
Substrate
n/a
Meas. Tech.
ChEMBL_857805 (CHEMBL2169238)
IC50
100000±n/a nM
Citation
 Abramson, HN The lipogenesis pathway as a cancer target. J Med Chem 54:5615-38 (2011) [PubMed]  Article 
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:
BDBM50070942
Synonyms:
(-)-Epigallocatechin gallate | (-)-Epigallocatechin-3-o-gallate | (-)-epigallocatechin 3-gallate | (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate | CHEMBL297453 | EGCG | Epigallocatechin 3-gallate | Epigallocatechin monogallate, B | cid_65064
Type:
Small organic molecule
Emp. Form.:
C22H18O11
Mol. Mass.:
458.3717
SMILES:
Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Structure:
Search PDB for entries with ligand similarity: