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TargetATP-citrate synthase
LigandBDBM50052983
Substrate/Competitorn/a
Meas. Tech.ChEMBL_29519 (CHEMBL640283)
Ki 75000±n/a nM
Citation Gribble, ADDolle, REShaw, AMcNair, DNovelli, RNovelli, CESlingsby, BPShah, VPTew, DSaxty, BAAllen, MGroot, PHPearce, NYates, J ATP-citrate lyase as a target for hypolipidemic intervention. Design and synthesis of 2-substituted butanedioic acids as novel, potent inhibitors of the enzyme. J Med Chem39:3569-84 (1996) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
ATP-citrate synthase
Name:ATP-citrate synthase
Synonyms:ACLY_RAT | Acly
Type:PROTEIN
Mol. Mass.:120645.65
Organism:Rattus norvegicus
Description:ChEMBL_857791
Residue:1100
Sequence:
MSAKAISEQTGKELLYKYICTTSAIQNRFKYARVTPDTDWAHLLQDHPWLLSQSLVVKPD
QLIKRRGKLGLVGVNLSLDGVKSWLKPRLGHEATVGKAKGFLKNFLIEPFVPHSQAEEFY
VCIYATREGDYVLFHHEGGVDVGDVDTKAQKLLVGVDEKLNAEDIKRHLLVHAPEDKKEI
LASFISGLFNFYEDLYFTYLEINPLVVTKDGVYILDLAAKVDATADYICKVKWGDIEFPP
PFGREAYPEEAYIADLDAKSGASLKLTLLNPKGRIWTMVAGGGASVVYSDTICDLGGVNE
LANYGEYSGAPSEQQTYDYAKTILSLMTREKHPDGKILIIGGSIANFTNVAATFKGIVRA
IRDYQGSLKEHEVTIFVRRGGPNYQEGLRVMGEVGKTTGIPIHVFGTETHMTAIVGMAWA
PAIPNQPPTAAHTANFLLNASGSTSTPAPSRTASFSESRADEVAPAKKAKPAMPQDSVPS
PRSLQGKSATLFSRHTKAIVWGMQTRAVQGMLDFDYVCSRDEPSVAAMVYPFTGDHKQKF
YWGHKEILIPVFKNMADAMKKHPEVDVLINFASLRSAYDSTMETMNYAQIRTIAIIAEGI
PEALTRKLIKKADQKGVTIIGPATVGGIKPGCFKIGNTGGMLDNILASKLYRPGSVAYVS
RSGGMSNELNNIISRTTDGVYEGVAIGGDRYPGSTFMDHVLRYQDTPGVKMIVVLGEIGG
TEEYKICRGIKEGRLTKPVVCWCIGTCATMFSSEVQFGHAGACANQASETAVAKNQALKE
AGVFVPRSFDELGEIIQSVYEDLVAKGAIVPAQEVPPPTVPMDYSWARELGLIRKPASFM
TSICDERGQELIYAGMPITEVFKEEMGIGGVLGLLWFQRRLPKYSCQFIEMCLMVTADHG
PAVSGAHNTIICARAGKDLVSSLTSGLLTIGDRFGGALDAAAKMFSKAFDSGIIPMEFVN
KMKKEGKLIMGIGHRVKSINNPDMRVQILKDFVKQHFPATPLLDYALEVEKITTSKKPNL
ILNVDGFIGVAFVDMLRNCGSFTREEADEYVDIGALNGVFVLGRSMGFIGHYLDQKRLKQ
GLYRHPWDDISYVLPEHMSM
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50052983
n/a
NameBDBM50052983
Synonyms:2-Hydroxy-2-[6-(2-nitro-phenyl)-hexylsulfanylmethyl]-succinic acid | CHEMBL116884
TypeSmall organic molecule
Emp. Form.C17H23NO7S
Mol. Mass.385.432
SMILESOC(=O)CC(O)(CSCCCCCCc1ccccc1[N+]([O-])=O)C(O)=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: