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Target
ATP-citrate synthase
Ligand
BDBM50052993
Substrate
n/a
Meas. Tech.
ChEMBL_29519 (CHEMBL640283)
Ki
63000±n/a nM
Citation
 Gribble, AD; Dolle, RE; Shaw, A; McNair, D; Novelli, R; Novelli, CE; Slingsby, BP; Shah, VP; Tew, D; Saxty, BA; Allen, M; Groot, PH; Pearce, N; Yates, 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 Chem 39:3569-84 (1996) [PubMed]  Article 
Target
Name:
ATP-citrate synthase
Synonyms:
ACLY_RAT | Acly
Type:
PROTEIN
Mol. Mass.:
120645.65
Organism:
Rattus norvegicus
Description:
ChEMBL_857791
Residue:
1100
Sequence:
MSAKAISEQTGKELLYKYICTTSAIQNRFKYARVTPDTDWAHLLQDHPWLLSQSLVVKPDQLIKRRGKLGLVGVNLSLDGVKSWLKPRLGHEATVGKAKGFLKNFLIEPFVPHSQAEEFYVCIYATREGDYVLFHHEGGVDVGDVDTKAQKLLVGVDEKLNAEDIKRHLLVHAPEDKKEILASFISGLFNFYEDLYFTYLEINPLVVTKDGVYILDLAAKVDATADYICKVKWGDIEFPPPFGREAYPEEAYIADLDAKSGASLKLTLLNPKGRIWTMVAGGGASVVYSDTICDLGGVNELANYGEYSGAPSEQQTYDYAKTILSLMTREKHPDGKILIIGGSIANFTNVAATFKGIVRAIRDYQGSLKEHEVTIFVRRGGPNYQEGLRVMGEVGKTTGIPIHVFGTETHMTAIVGMAWAPAIPNQPPTAAHTANFLLNASGSTSTPAPSRTASFSESRADEVAPAKKAKPAMPQDSVPSPRSLQGKSATLFSRHTKAIVWGMQTRAVQGMLDFDYVCSRDEPSVAAMVYPFTGDHKQKFYWGHKEILIPVFKNMADAMKKHPEVDVLINFASLRSAYDSTMETMNYAQIRTIAIIAEGIPEALTRKLIKKADQKGVTIIGPATVGGIKPGCFKIGNTGGMLDNILASKLYRPGSVAYVSRSGGMSNELNNIISRTTDGVYEGVAIGGDRYPGSTFMDHVLRYQDTPGVKMIVVLGEIGGTEEYKICRGIKEGRLTKPVVCWCIGTCATMFSSEVQFGHAGACANQASETAVAKNQALKEAGVFVPRSFDELGEIIQSVYEDLVAKGAIVPAQEVPPPTVPMDYSWARELGLIRKPASFMTSICDERGQELIYAGMPITEVFKEEMGIGGVLGLLWFQRRLPKYSCQFIEMCLMVTADHGPAVSGAHNTIICARAGKDLVSSLTSGLLTIGDRFGGALDAAAKMFSKAFDSGIIPMEFVNKMKKEGKLIMGIGHRVKSINNPDMRVQILKDFVKQHFPATPLLDYALEVEKITTSKKPNLILNVDGFIGVAFVDMLRNCGSFTREEADEYVDIGALNGVFVLGRSMGFIGHYLDQKRLKQGLYRHPWDDISYVLPEHMSM
  
Inhibitor
Name:
BDBM50052993
Synonyms:
2-Hydroxy-2-(6-naphthalen-1-yl-hexylsulfanylmethyl)-succinic acid | CHEMBL261986
Type:
Small organic molecule
Emp. Form.:
C21H26O5S
Mol. Mass.:
390.493
SMILES:
OC(=O)CC(O)(CSCCCCCCc1cccc2ccccc12)C(O)=O
Structure:
Search PDB for entries with ligand similarity: