| Reaction Details |
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 | Report a problem with these data |
| Target | ATP-citrate synthase |
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| Ligand | BDBM50530579 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1913365 (CHEMBL4415948) |
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| IC50 | 2800±n/a nM |
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| Citation |  Jiao, WH; Li, J; Wang, D; Zhang, MM; Liu, LY; Sun, F; Li, JY; Capon, RJ; Lin, HW Cinerols, Nitrogenous Meroterpenoids from the Marine Sponge J Nat Prod82:2586-2593 (2019) [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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| BDBM50530579 |
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| n/a |
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| Name | BDBM50530579 |
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| Synonyms: | CHEMBL4452883 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H34N2O |
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| Mol. Mass. | 378.5503 |
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| SMILES | [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2nc3CCCn3c12 |r| |
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| Structure | 
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