Reaction Details |
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Target | Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] |
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Ligand | BDBM363601 |
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Substrate/Competitor | n/a |
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Meas. Tech. | In Vitro Assays for IDH1m (R132H or R132C) Inhibitors |
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IC50 | <100±n/a nM |
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Citation | Lemieux, RM; Popovici-Muller, J; Travins, J; Cai, Z; Cui, D; Zhou, D Therapeutically active compounds and their methods of use US Patent US11021515 Publication Date 6/1/2021 |
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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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BDBM363601 |
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n/a |
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Name | BDBM363601 |
Synonyms: | US10640534, Compound 92 | US10689414, Compound 92 | US10717764, Compound 92 | US11021515, Compound 92 | US11667673, Compound 92 | US9850277, Compound 92 |
Type | Small organic molecule |
Emp. Form. | C31H26ClF3N6O4 |
Mol. Mass. | 639.024 |
SMILES | CC(=O)N1C[C@H](N(C(=O)C1)c1cc(ccn1)C#N)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cccc(F)c1 |r| |
Structure |
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