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TargetATP-citrate synthase
LigandBDBM50066672
Substrate/Competitorn/a
Meas. Tech.ChEMBL_29508 (CHEMBL643074)
Ki 1100±n/a nM
Citation Gribble, ADIfe, RJShaw, AMcNair, DNovelli, CEBakewell, SShah, VPDolle, REGroot, PHPearce, NYates, JTew, DBoyd, HAshman, SEggleston, DSHaltiwanger, RCOkafo, G ATP-Citrate lyase as a target for hypolipidemic intervention. 2. Synthesis and evaluation of (3R,5S)-omega-substituted-3-carboxy-3, 5-dihydroxyalkanoic acids and their gamma-lactone prodrugs as inhibitors of the enzyme in vitro and in vivo. J Med Chem41:3582-95 (1998) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
ATP-citrate synthase
Name:ATP-citrate synthase
Synonyms:ACLY | ACLY_HUMAN
Type:PROTEIN
Mol. Mass.:120848.43
Organism:Homo sapiens (Human)
Description:ChEMBL_455196
Residue:1101
Sequence:
MSAKAISEQTGKELLYKFICTTSAIQNRFKYARVTPDTDWARLLQDHPWLLSQNLVVKPD
QLIKRRGKLGLVGVNLTLDGVKSWLKPRLGQEATVGKATGFLKNFLIEPFVPHSQAEEFY
VCIYATREGDYVLFHHEGGVDVGDVDAKAQKLLVGVDEKLNPEDIKKHLLVHAPEDKKEI
LASFISGLFNFYEDLYFTYLEINPLVVTKDGVYVLDLAAKVDATADYICKVKWGDIEFPP
PFGREAYPEEAYIADLDAKSGASLKLTLLNPKGRIWTMVAGGGASVVYSDTICDLGGVNE
LANYGEYSGAPSEQQTYDYAKTILSLMTREKHPDGKILIIGGSIANFTNVAATFKGIVRA
IRDYQGPLKEHEVTIFVRRGGPNYQEGLRVMGEVGKTTGIPIHVFGTETHMTAIVGMALG
HRPIPNQPPTAAHTANFLLNASGSTSTPAPSRTASFSESRADEVAPAKKAKPAMPQDSVP
SPRSLQGKSTTLFSRHTKAIVWGMQTRAVQGMLDFDYVCSRDEPSVAAMVYPFTGDHKQK
FYWGHKEILIPVFKNMADAMRKHPEVDVLINFASLRSAYDSTMETMNYAQIRTIAIIAEG
IPEALTRKLIKKADQKGVTIIGPATVGGIKPGCFKIGNTGGMLDNILASKLYRPGSVAYV
SRSGGMSNELNNIISRTTDGVYEGVAIGGDRYPGSTFMDHVLRYQDTPGVKMIVVLGEIG
GTEEYKICRGIKEGRLTKPIVCWCIGTCATMFSSEVQFGHAGACANQASETAVAKNQALK
EAGVFVPRSFDELGEIIQSVYEDLVANGVIVPAQEVPPPTVPMDYSWARELGLIRKPASF
MTSICDERGQELIYAGMPITEVFKEEMGIGGVLGLLWFQKRLPKYSCQFIEMCLMVTADH
GPAVSGAHNTIICARAGKDLVSSLTSGLLTIGDRFGGALDAAAKMFSKAFDSGIIPMEFV
NKMKKEGKLIMGIGHRVKSINNPDMRVQILKDYVRQHFPATPLLDYALEVEKITTSKKPN
LILNVDGLIGVAFVDMLRNCGSFTREEADEYIDIGALNGIFVLGRSMGFIGHYLDQKRLK
QGLYRHPWDDISYVLPEHMSM
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50066672
n/a
NameBDBM50066672
Synonyms:(S)-2-[(R)-8-(2-Benzyloxy-4-chloro-phenyl)-2-hydroxy-octyl]-2-hydroxy-succinic acid | CHEMBL119933
TypeSmall organic molecule
Emp. Form.C25H31ClO7
Mol. Mass.478.962
SMILESO[C@H](CCCCCCc1ccc(Cl)cc1OCc1ccccc1)C[C@](O)(CC(O)=O)C(O)=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: