Reaction Details |
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Target | Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] |
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Ligand | BDBM228659 |
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Substrate/Competitor | n/a |
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Meas. Tech. | IDH1 Biochemical Assay |
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IC50 | 68±1.2 nM |
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Citation | Davis, MI; Gross, S; Shen, M; Straley, KS; Pragani, R; Lea, WA; Popovici-Muller, J; DeLaBarre, B; Artin, E; Thorne, N; Auld, DS; Li, Z; Dang, L; Boxer, MB; Simeonov, A Biochemical, cellular, and biophysical characterization of a potent inhibitor of mutant isocitrate dehydrogenase IDH1. J Biol Chem289:13717-25 (2014) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] |
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Name: | Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] |
Synonyms: | Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H) | IDH1 | IDH1 R132H | IDH1(R132H) | IDHC_HUMAN | Isocitrate dehydrogenase (IDH1)(R132H) | Isocitrate dehydrogenase 1 mutant (R132H) | Isocitrate dehydrogenase [NADP] cytoplasmic (IDH)(R132H) | Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132H) | Isocitrate dehydrogenase [NADP] cytoplasmic (R132H) | PICD |
Type: | Protein |
Mol. Mass.: | 46641.74 |
Organism: | Homo sapiens (Human) |
Description: | Human IDH1 R132H (SEQ ID No. 2 in patent). First three are removed. Google patent parsed wrong. |
Residue: | 414 |
Sequence: | MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDA
AEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRL
VSGWVKPIIIGHHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAM
GMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFE
AQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDG
KTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALE
EVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL
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BDBM228659 |
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n/a |
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Name | BDBM228659 |
Synonyms: | (+)-2-(2-(1H-Benzo[d]imidazol-1-yl)-N-(3-fluorophenyl)acetamido)-N-cyclopentyl-2-o-tolylacetamide | (+)-ML309 |
Type | Small organic molecule |
Emp. Form. | C29H29FN4O2 |
Mol. Mass. | 484.5646 |
SMILES | Cc1ccccc1[C@@H](N(C(=O)Cn1cnc2ccccc12)c1cccc(F)c1)C(=O)NC1CCCC1 |r| |
Structure |
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