| Reaction Details |
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 | Report a problem with these data |
| Target | ATP-citrate synthase |
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| Ligand | BDBM50234438 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1652714 (CHEMBL4001969) |
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| IC50 | 11900±n/a nM |
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| Citation |  Jernigan, FE; Hanai, JI; Sukhatme, VP; Sun, L Discovery of furan carboxylate derivatives as novel inhibitors of ATP-citrate lyase via virtual high-throughput screening. Bioorg Med Chem Lett27:929-935 (2017) [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 |
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| Synonyms: | ACLY | ACLY_HUMAN |
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| Type: | PROTEIN |
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| Mol. Mass.: | 120848.43 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_455196 |
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| Residue: | 1101 |
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| Sequence: | MSAKAISEQTGKELLYKFICTTSAIQNRFKYARVTPDTDWARLLQDHPWLLSQNLVVKPD
QLIKRRGKLGLVGVNLTLDGVKSWLKPRLGQEATVGKATGFLKNFLIEPFVPHSQAEEFY
VCIYATREGDYVLFHHEGGVDVGDVDAKAQKLLVGVDEKLNPEDIKKHLLVHAPEDKKEI
LASFISGLFNFYEDLYFTYLEINPLVVTKDGVYVLDLAAKVDATADYICKVKWGDIEFPP
PFGREAYPEEAYIADLDAKSGASLKLTLLNPKGRIWTMVAGGGASVVYSDTICDLGGVNE
LANYGEYSGAPSEQQTYDYAKTILSLMTREKHPDGKILIIGGSIANFTNVAATFKGIVRA
IRDYQGPLKEHEVTIFVRRGGPNYQEGLRVMGEVGKTTGIPIHVFGTETHMTAIVGMALG
HRPIPNQPPTAAHTANFLLNASGSTSTPAPSRTASFSESRADEVAPAKKAKPAMPQDSVP
SPRSLQGKSTTLFSRHTKAIVWGMQTRAVQGMLDFDYVCSRDEPSVAAMVYPFTGDHKQK
FYWGHKEILIPVFKNMADAMRKHPEVDVLINFASLRSAYDSTMETMNYAQIRTIAIIAEG
IPEALTRKLIKKADQKGVTIIGPATVGGIKPGCFKIGNTGGMLDNILASKLYRPGSVAYV
SRSGGMSNELNNIISRTTDGVYEGVAIGGDRYPGSTFMDHVLRYQDTPGVKMIVVLGEIG
GTEEYKICRGIKEGRLTKPIVCWCIGTCATMFSSEVQFGHAGACANQASETAVAKNQALK
EAGVFVPRSFDELGEIIQSVYEDLVANGVIVPAQEVPPPTVPMDYSWARELGLIRKPASF
MTSICDERGQELIYAGMPITEVFKEEMGIGGVLGLLWFQKRLPKYSCQFIEMCLMVTADH
GPAVSGAHNTIICARAGKDLVSSLTSGLLTIGDRFGGALDAAAKMFSKAFDSGIIPMEFV
NKMKKEGKLIMGIGHRVKSINNPDMRVQILKDYVRQHFPATPLLDYALEVEKITTSKKPN
LILNVDGLIGVAFVDMLRNCGSFTREEADEYIDIGALNGIFVLGRSMGFIGHYLDQKRLK
QGLYRHPWDDISYVLPEHMSM
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| BDBM50234438 |
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| n/a |
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| Name | BDBM50234438 |
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| Synonyms: | CHEMBL4072433 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H20O6 |
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| Mol. Mass. | 404.412 |
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| SMILES | Cc1oc(cc1COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1)C(O)=O |
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| Structure | 
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