Reaction Details |
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Target | Isocitrate lyase |
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Ligand | BDBM50206257 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_438441 (CHEMBL886419) |
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IC50 | 12600±n/a nM |
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Citation | Lee, HS; Lee, TH; Yang, SH; Shin, HJ; Shin, J; Oh, KB Sesterterpene sulfates as isocitrate lyase inhibitors from tropical sponge Hippospongia sp. Bioorg Med Chem Lett17:2483-6 (2007) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Isocitrate lyase |
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Name: | Isocitrate lyase |
Synonyms: | ACEA_MAGO7 | ICL | ICL1 | Isocitrase | Isocitratase |
Type: | PROTEIN |
Mol. Mass.: | 61002.51 |
Organism: | Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Rice blast fungus)(Pyricularia oryzae) |
Description: | ChEMBL_438441 |
Residue: | 547 |
Sequence: | MASKNMVNPAVEPSMEDDLFAREVAEVKQWWSDPRWRYTKRPFTAEQIVSKRGNLKIEYP
SNAQSKKLWKILEGRFQKRDASYTYGCLEPTMVTQMAKYLDTVYVSGWQSSSTASSSDEP
GPDLADYPYTTVPNKVSHLFMAQLFHDRKQRHERLSAPKSERSKLQNIDYLRPIIADADT
GHGGLTAVMKLTKLFIEKGAAGIHIEDQAPGTKKCGHMAGKVLVPISEHINRLVAIRAQA
DIMGVDLLAIARTDAEAATLITTSIDPRDHAFILGCTNPSLQPLADLMNTAEQSGKTGDQ
LQAIEDEWMAKANLKRFDDAVVDVINSSSSIRNPKDVAAKYLQAAKGKSNREARAIASSL
GVPEIFFDWDSPRTREGYFRIKGGCDCAINRAIAYAPYADAIWMESKLPDYEQAKEFAEG
VHAVYPEQKLAYNLSPSFNWKTAMPRDEQETYIRRLAGLGYCWQFITLAGLHTTALISDR
FARAYSEVGMRAYGELVQEPEMELGVDVVKHQKWSGATYVDELQKMVTGGVSSTAAMGKG
VTEDQFH
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BDBM50206257 |
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n/a |
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Name | BDBM50206257 |
Synonyms: | CHEMBL387584 | CHEMBL450482 | halisulfate 1 | sodium (2R,3R)-9-(2,5-dihydroxyphenyl)-3,7-dimethyl-1-((1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)non-7-en-2-yl sulfate |
Type | Small organic molecule |
Emp. Form. | C31H47O6S |
Mol. Mass. | 547.767 |
SMILES | C[C@H](CCC\C(C)=C\Cc1cc(O)ccc1O)[C@@H](C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C)OS([O-])(=O)=O |r,c:22| |
Structure |
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