| Reaction Details |
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 | Report a problem with these data |
| Target | ATP-citrate synthase |
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| Ligand | BDBM589457 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ADP-Glo Assay |
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| IC50 | <50±n/a nM |
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| Citation |  Leit de Moradei, SM; Therrien, E ACLY inhibitors and uses thereof US Patent US11555012 Publication Date 1/17/2023 |
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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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| BDBM589457 |
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| n/a |
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| Name | BDBM589457 |
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| Synonyms: | US11555012, Compound I-198 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H16ClF2NO5S |
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| Mol. Mass. | 419.827 |
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| SMILES | COC(=O)c1cc(Cl)c(O)c(c1)S(=O)(=O)Nc1cc(C(C)C)c(F)cc1F |
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| Structure | 
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