Reaction Details |
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Target | ATP-citrate synthase |
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Ligand | BDBM50066687 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_29508 (CHEMBL643074) |
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Ki | 2700±n/a nM |
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Citation | Gribble, AD; Ife, RJ; Shaw, A; McNair, D; Novelli, CE; Bakewell, S; Shah, VP; Dolle, RE; Groot, PH; Pearce, N; Yates, J; Tew, D; Boyd, H; Ashman, S; Eggleston, DS; Haltiwanger, RC; Okafo, 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 |
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More Info.: | Get all data from this article, Assay Method |
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ATP-citrate synthase |
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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
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BDBM50066687 |
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n/a |
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Name | BDBM50066687 |
Synonyms: | (S)-2-[(R)-8-(5-Chloro-4'-fluoro-biphenyl-2-yl)-2-hydroxy-octyl]-2-hydroxy-succinic acid | CHEMBL263490 |
Type | Small organic molecule |
Emp. Form. | C24H28ClFO6 |
Mol. Mass. | 466.927 |
SMILES | O[C@H](CCCCCCc1ccc(Cl)cc1-c1ccc(F)cc1)C[C@](O)(CC(O)=O)C(O)=O |
Structure |
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