Reaction Details |
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Target | ATP-citrate synthase |
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Ligand | BDBM50036217 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_29524 (CHEMBL640440) |
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Ki | 34000±n/a nM |
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Citation | Dolle, RE; Gribble, A; Wilkes, T; Kruse, LI; Eggleston, D; Saxty, BA; Wells, TN; Groot, PH Synthesis of novel thiol-containing citric acid analogues. Kinetic evaluation of these and other potential active-site-directed and mechanism-based inhibitors of ATP citrate lyase. J Med Chem38:537-43 (1995) [PubMed] |
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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_RAT | Acly |
Type: | PROTEIN |
Mol. Mass.: | 120645.65 |
Organism: | Rattus norvegicus |
Description: | ChEMBL_857791 |
Residue: | 1100 |
Sequence: | MSAKAISEQTGKELLYKYICTTSAIQNRFKYARVTPDTDWAHLLQDHPWLLSQSLVVKPD
QLIKRRGKLGLVGVNLSLDGVKSWLKPRLGHEATVGKAKGFLKNFLIEPFVPHSQAEEFY
VCIYATREGDYVLFHHEGGVDVGDVDTKAQKLLVGVDEKLNAEDIKRHLLVHAPEDKKEI
LASFISGLFNFYEDLYFTYLEINPLVVTKDGVYILDLAAKVDATADYICKVKWGDIEFPP
PFGREAYPEEAYIADLDAKSGASLKLTLLNPKGRIWTMVAGGGASVVYSDTICDLGGVNE
LANYGEYSGAPSEQQTYDYAKTILSLMTREKHPDGKILIIGGSIANFTNVAATFKGIVRA
IRDYQGSLKEHEVTIFVRRGGPNYQEGLRVMGEVGKTTGIPIHVFGTETHMTAIVGMAWA
PAIPNQPPTAAHTANFLLNASGSTSTPAPSRTASFSESRADEVAPAKKAKPAMPQDSVPS
PRSLQGKSATLFSRHTKAIVWGMQTRAVQGMLDFDYVCSRDEPSVAAMVYPFTGDHKQKF
YWGHKEILIPVFKNMADAMKKHPEVDVLINFASLRSAYDSTMETMNYAQIRTIAIIAEGI
PEALTRKLIKKADQKGVTIIGPATVGGIKPGCFKIGNTGGMLDNILASKLYRPGSVAYVS
RSGGMSNELNNIISRTTDGVYEGVAIGGDRYPGSTFMDHVLRYQDTPGVKMIVVLGEIGG
TEEYKICRGIKEGRLTKPVVCWCIGTCATMFSSEVQFGHAGACANQASETAVAKNQALKE
AGVFVPRSFDELGEIIQSVYEDLVAKGAIVPAQEVPPPTVPMDYSWARELGLIRKPASFM
TSICDERGQELIYAGMPITEVFKEEMGIGGVLGLLWFQRRLPKYSCQFIEMCLMVTADHG
PAVSGAHNTIICARAGKDLVSSLTSGLLTIGDRFGGALDAAAKMFSKAFDSGIIPMEFVN
KMKKEGKLIMGIGHRVKSINNPDMRVQILKDFVKQHFPATPLLDYALEVEKITTSKKPNL
ILNVDGFIGVAFVDMLRNCGSFTREEADEYVDIGALNGVFVLGRSMGFIGHYLDQKRLKQ
GLYRHPWDDISYVLPEHMSM
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BDBM50036217 |
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n/a |
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Name | BDBM50036217 |
Synonyms: | (2S,3R)-3-Carboxy-3-hydroxy-2-methylsulfanyl-pentanedioic acid | CHEMBL446428 |
Type | Small organic molecule |
Emp. Form. | C7H10O7S |
Mol. Mass. | 238.215 |
SMILES | CS[C@H](C(O)=O)[C@@](O)(CC(O)=O)C(O)=O |
Structure |
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