Reaction Details |
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Target | ATP-citrate synthase |
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Ligand | BDBM589459 |
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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 |
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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BDBM589459 |
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n/a |
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Name | BDBM589459 |
Synonyms: | US11555012, Compound I-200 |
Type | Small organic molecule |
Emp. Form. | C22H18ClF2N3O4S |
Mol. Mass. | 493.911 |
SMILES | NC1CN(C1)C(=O)c1cc(Cl)c(O)c(c1)S(=O)(=O)Nc1cc(c(F)cc1F)-c1ccccc1 |
Structure |
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